# cacb.tab: C-alpha and C-beta secondary shifts DATA SOURCE S Staph Nuclease DATA SOURCE B BPTI DATA SOURCE W Wittekind RNA Binding Domain of the Human hnRNP C Protein DATA SOURCE J IIIGlc VARS SOURCE RESNAME RESID PHI PSI CA CB FORMAT %s %s %d %.2f %.2f %.2f %.2f B ALA 16 -76.00 168.40 -0.40 0.50 B ALA 25 -65.50 -23.60 2.50 -0.10 B ALA 27 -94.40 -17.80 -0.40 1.50 B ALA 40 -56.00 149.70 1.60 0.70 B ALA 48 -61.80 -32.50 2.90 -1.40 C ALA 10 -57.70 -50.50 3.06 -1.21 C ALA 15 -64.60 -44.10 2.95 -1.00 C ALA 46 -65.60 -40.70 2.43 -0.86 C ALA 57 -72.80 -33.30 1.85 0.28 C ALA 73 -54.30 -72.90 1.27 -0.69 C ALA 88 -48.40 -44.20 2.83 -1.35 C ALA 102 -59.40 -40.30 3.67 -1.10 C ALA 103 -58.40 -43.80 3.06 -0.70 C ALA 128 -104.70 -10.10 -0.18 1.86 I ALA 28 -120.60 130.50 -1.95 2.73 I ALA 59 -120.00 138.20 -1.64 4.05 I ALA 115 -72.60 -31.20 1.16 -0.88 I ALA 127 -81.90 156.30 -0.98 0.60 S ALA 12 -147.60 160.70 -0.85 5.78 S ALA 17 -81.00 132.40 0.08 -0.92 S ALA 58 -61.60 -43.10 3.43 -0.66 S ALA 60 -65.70 -40.60 2.69 -0.85 S ALA 69 -73.20 142.90 -1.04 0.27 S ALA 90 -149.40 171.30 -1.78 4.81 S ALA 94 -119.20 110.10 -2.52 1.83 S ALA 102 -55.60 -44.40 2.98 -0.85 S ALA 109 -162.70 156.00 -2.90 6.30 S ALA 112 -148.00 172.10 -1.41 5.48 S ALA 130 -62.80 -39.20 2.50 -1.52 S ALA 132 -60.00 -39.20 3.43 -0.40 B ARG 17 -128.90 86.20 -1.20 0.10 B ARG 20 -129.00 168.00 -4.20 4.70 B ARG 39 61.10 41.00 0.60 -3.40 B ARG 42 -75.10 -30.40 2.80 -0.80 B ARG 53 -60.40 -36.70 3.20 0.10 C ARG 37 -61.60 -44.90 2.94 -1.22 C ARG 74 -38.80 -54.10 1.90 0.01 C ARG 86 -69.10 -21.00 3.92 -0.33 C ARG 90 -67.70 -33.90 2.73 -0.16 C ARG 106 -68.90 -52.60 3.70 -0.02 C ARG 126 -41.00 -61.30 3.58 -0.34 I ARG 4 -95.40 138.00 -0.01 0.81 I ARG 11 -137.60 136.20 -2.16 4.25 I ARG 98 -59.10 -22.70 2.45 2.45 S ARG 126 -65.50 -33.70 4.28 -1.06 B ASN 24 -96.10 98.80 -2.10 0.10 B ASN 43 -90.00 71.10 -1.80 -2.50 B ASN 44 -158.90 114.90 1.00 0.90 C ASN 42 -116.90 76.10 -1.49 1.24 C ASN 53 -54.40 -38.60 3.12 -0.01 C ASN 60 -75.40 -8.90 0.11 -0.32 C ASN 97 -112.10 -0.60 0.05 0.13 C ASN 111 -70.20 -18.80 2.74 0.49 C ASN 137 -100.10 174.20 -1.69 -0.13 I ASN 7 -94.40 145.70 -1.15 1.42 I ASN 53 -65.40 -34.40 1.47 0.27 I ASN 66 -77.60 59.30 0.99 -1.21 I ASN 89 -95.90 -8.30 0.00 3.23 I ASN 102 -101.00 117.50 -0.49 1.42 I ASN 119 68.50 13.80 2.46 -0.06 I ASN 129 62.40 21.80 1.47 -0.06 S ASN 68 -86.50 -5.00 0.32 1.01 S ASN 100 -54.90 -44.80 4.34 -3.08 S ASN 118 -84.20 65.40 -1.35 -1.44 S ASN 119 -144.90 31.70 -0.49 0.79 S ASN 138 40.70 -108.10 3.49 0.90 B ASP 3 -62.80 -28.50 3.30 -0.80 B ASP 50 -65.90 -39.10 3.40 0.70 C ASP 20 -76.40 73.40 -1.56 -2.00 C ASP 22 -100.70 5.50 -1.11 -1.21 C ASP 24 -86.70 0.30 -0.43 -0.50 C ASP 50 -66.50 -36.70 3.53 -0.58 C ASP 56 -56.60 94.20 0.03 0.35 C ASP 58 -100.80 2.60 -1.11 -1.21 C ASP 64 -102.20 174.20 -1.81 1.36 C ASP 93 -75.80 64.00 -1.51 -2.61 C ASP 95 -105.50 28.90 -1.11 -1.21 C ASP 118 -58.60 -30.50 4.04 -1.12 C ASP 122 -57.40 -44.80 3.66 -0.38 C ASP 129 -81.60 106.90 0.03 -0.58 C ASP 131 -67.50 3.00 -0.43 -1.21 C ASP 133 -92.50 -2.90 -0.52 -0.65 I ASP 12 -71.00 168.40 -0.87 0.00 I ASP 35 -72.80 -17.00 0.93 0.00 I ASP 75 70.40 42.10 1.59 -1.65 I ASP 76 61.10 30.50 1.43 -0.82 I ASP 86 -62.70 124.40 -3.01 1.15 I ASP 142 -85.70 152.80 -0.05 0.66 I ASP 145 -114.50 141.30 -1.37 2.30 S ASP 19 -156.00 -165.60 -0.32 -0.99 S ASP 21 -121.70 12.70 -1.99 0.23 S ASP 40 -148.80 113.50 0.17 2.84 S ASP 77 -91.30 -166.30 -2.18 2.32 S ASP 83 -96.40 178.10 -2.18 1.35 S ASP 95 52.20 42.90 2.18 -1.18 I CYS 8 -167.10 165.70 -1.31 3.80 I CYS 71 -114.30 124.10 -0.48 1.22 B GLN 31 -133.80 164.40 -2.20 5.00 C GLN 8 -84.40 -44.00 2.52 0.75 C GLN 41 -133.20 127.50 -1.67 1.94 C GLN 49 -53.00 -41.50 2.44 -0.40 C GLN 135 -131.30 160.30 -3.05 3.69 I GLN 14 -110.80 11.50 -1.33 -0.09 I GLN 15 73.50 19.60 0.98 -3.38 I GLN 32 -152.20 155.10 -1.49 2.20 I GLN 34 -72.30 -7.80 0.81 -0.42 I GLN 38 -81.70 13.80 -0.18 1.06 I GLN 39 -83.90 131.90 0.15 1.22 I GLN 48 -84.00 150.70 -0.34 1.06 I GLN 81 -144.00 170.30 -2.64 3.69 I GLN 116 -79.50 -36.60 0.32 0.73 I GLN 126 -71.70 -32.70 1.96 0.24 I GLN 149 -126.10 134.30 -2.15 1.55 S GLN 30 -133.30 138.90 -3.79 3.15 S GLN 80 -56.90 143.00 0.82 0.84 S GLN 106 -87.20 -1.40 -2.23 0.17 S GLN 123 -64.60 -44.60 3.42 -0.95 S GLN 131 -65.40 -46.70 2.53 -0.20 B GLU 7 -79.10 147.10 -1.50 1.00 B GLU 49 -66.80 -45.90 4.20 -0.50 C GLU 6 -47.00 -51.10 3.62 -0.64 C GLU 7 -75.30 -12.90 3.53 -0.89 C GLU 11 -57.30 -49.00 3.00 -0.67 C GLU 14 -61.00 -45.10 2.82 -0.51 C GLU 31 -68.30 -44.10 2.83 -0.99 C GLU 45 -59.60 -35.50 3.62 -0.87 C GLU 47 -70.60 -36.70 2.87 -0.96 C GLU 54 -59.00 -37.00 2.53 0.55 C GLU 67 -67.80 -49.50 2.19 -0.41 C GLU 82 -51.00 -27.30 2.14 -0.36 C GLU 83 -81.10 -33.20 3.53 -0.63 C GLU 84 -67.50 -46.40 2.87 0.51 C GLU 87 -74.30 -61.10 2.63 -0.20 C GLU 104 -68.90 -49.00 2.87 -0.09 C GLU 114 -121.20 116.50 -1.23 0.54 C GLU 119 -70.40 -41.00 2.86 -0.59 C GLU 120 -69.70 -32.80 2.81 0.17 C GLU 127 -45.60 -36.00 1.94 -0.30 C GLU 139 -55.10 -54.90 3.95 -0.96 C GLU 140 -62.50 -40.50 2.12 -0.57 I GLU 25 -136.90 152.10 -0.81 4.53 I GLU 37 -62.00 -24.60 1.16 -0.73 I GLU 50 -89.60 115.80 -0.15 -0.08 I GLU 51 -114.70 152.60 -0.48 0.91 I GLU 83 -129.60 145.90 -1.95 3.54 I GLU 96 -61.20 145.70 2.65 -1.22 I GLU 105 -91.30 128.70 -1.79 1.24 I GLU 111 -136.10 139.60 -2.94 2.22 I GLU 113 -100.40 144.00 -2.13 -0.57 I GLU 128 -72.10 152.40 -2.48 1.41 S GLU 10 -133.30 149.80 -3.09 3.52 S GLU 73 -135.40 147.90 -2.98 6.61 S GLU 75 -129.50 111.70 -2.09 6.31 S GLU 129 -64.00 -40.00 2.86 1.47 S GLU 135 -97.50 3.70 0.07 0.28 B ILE 18 -108.80 117.50 -1.10 2.20 B ILE 19 -83.30 121.80 -0.30 -2.30 C ILE 9 -65.10 -35.80 4.89 -0.29 C ILE 27 -115.20 128.30 -0.83 0.78 C ILE 52 -63.70 -47.50 3.50 -0.71 C ILE 63 -112.10 129.20 -1.31 1.49 C ILE 85 -66.50 -35.20 3.17 -0.64 C ILE 100 -93.70 105.90 -0.98 0.49 C ILE 125 -53.80 -60.20 2.74 -1.59 C ILE 130 -86.80 -60.40 1.76 0.58 I ILE 56 -124.50 119.30 -4.40 2.31 I ILE 104 -114.00 126.70 -0.94 3.29 I ILE 122 -65.90 127.20 4.70 -1.31 I ILE 143 -91.70 135.40 0.38 -1.63 S ILE 15 -107.60 -58.00 2.69 0.91 S ILE 18 -98.70 -48.90 1.87 0.06 S ILE 72 -117.00 140.30 -2.67 0.24 S ILE 92 -111.30 136.40 -2.67 1.06 S ILE 139 -42.00 -48.00 4.29 -0.57 B LEU 6 -91.70 -8.00 -0.40 -0.60 B LEU 29 -141.50 157.00 -1.60 2.90 C LEU 18 -63.40 -38.50 1.97 -0.79 C LEU 32 -58.20 -39.90 3.08 0.21 C LEU 39 -95.40 3.80 -0.60 -0.45 C LEU 48 -63.90 -51.30 2.79 0.21 C LEU 69 -52.40 -45.30 2.78 -1.39 C LEU 105 -64.90 -33.70 3.08 0.21 C LEU 112 -89.70 -0.80 0.31 -0.23 C LEU 116 -100.50 140.90 -0.97 2.42 I LEU 6 -162.30 140.50 -1.31 3.10 I LEU 10 -119.90 147.50 -1.64 4.41 I LEU 18 -111.80 142.40 -0.82 0.14 I LEU 26 -116.70 145.50 -2.14 3.10 I LEU 29 -148.00 155.20 0.16 1.96 I LEU 31 -131.70 143.70 -1.64 2.44 I LEU 60 -115.40 105.00 -1.64 2.94 I LEU 62 -85.40 136.00 -0.98 -1.66 I LEU 67 -131.10 128.00 -2.14 5.57 I LEU 69 -74.10 137.60 1.32 2.77 I LEU 73 -77.90 140.70 -0.98 0.46 I LEU 80 -88.90 131.90 -1.31 1.96 I LEU 82 -101.80 134.80 -0.98 0.14 I LEU 110 -116.50 153.50 -1.64 3.27 I LEU 134 -96.70 120.70 -1.64 1.46 S LEU 7 180.00 156.20 -0.41 -0.71 S LEU 14 -62.80 138.00 1.56 0.59 S LEU 25 -131.80 157.10 -2.05 3.20 S LEU 36 -60.60 124.80 1.00 -0.04 S LEU 37 -65.10 151.90 0.93 3.31 S LEU 38 58.90 13.20 1.08 -1.75 S LEU 103 -60.80 -49.60 2.56 3.31 S LEU 108 -102.00 5.40 -1.68 1.45 S LEU 125 -61.80 -38.00 3.42 -1.08 S LEU 137 -85.50 135.80 -0.19 1.97 B LYS 15 -108.10 21.40 -0.30 0.10 B LYS 26 -71.40 -38.10 2.00 -0.30 B LYS 41 -105.00 179.60 -1.00 1.90 B LYS 46 -88.10 -17.20 2.00 0.70 C LYS 13 -55.10 -42.90 3.59 -0.61 C LYS 21 -55.90 -36.60 1.94 0.03 C LYS 30 -72.20 -39.80 2.61 -0.13 C LYS 94 -41.90 -33.70 2.36 0.03 C LYS 115 -99.30 103.40 -0.87 -0.46 I LYS 16 -80.60 141.60 2.22 -2.18 I LYS 27 -131.80 155.20 -1.57 4.85 I LYS 55 -112.80 118.80 -1.24 1.89 I LYS 65 -113.90 145.20 -1.89 2.22 I LYS 74 -142.80 104.10 -1.10 1.40 I LYS 77 -147.30 145.00 -3.54 1.89 I LYS 88 -91.80 -24.30 1.06 -0.58 I LYS 93 -77.40 -37.40 2.70 0.08 I LYS 94 -105.40 87.70 -2.38 1.89 I LYS 97 -46.70 -38.70 3.03 -0.25 I LYS 109 -109.50 155.70 -1.95 2.61 I LYS 138 -109.00 139.40 -0.58 0.25 S LYS 9 -86.40 146.60 -0.70 2.32 S LYS 16 -166.00 135.70 -0.10 3.14 S LYS 24 -97.80 129.90 -0.47 2.21 S LYS 28 58.20 39.50 3.69 0.83 S LYS 63 -51.10 -54.20 0.72 -2.70 S LYS 64 -55.00 -52.30 2.65 -0.51 S LYS 70 -72.00 -49.80 1.09 -0.28 S LYS 71 -126.30 137.60 -1.14 2.95 S LYS 78 -92.30 -9.40 1.28 0.98 S LYS 84 -61.90 -11.90 1.02 -1.40 S LYS 97 -106.40 128.80 -2.26 0.61 S LYS 110 -108.80 155.80 -2.71 2.77 S LYS 116 -64.60 148.60 -0.47 -0.65 S LYS 127 -70.70 -39.30 3.32 -0.77 S LYS 133 -66.50 -49.10 2.95 -0.21 S LYS 134 -68.80 -19.40 2.58 -0.28 S LYS 136 51.80 46.00 0.16 -3.00 B MET 52 -64.80 -42.90 1.40 -1.30 C MET 51 -62.90 -44.80 3.99 0.62 C MET 71 -64.10 -51.80 3.60 0.91 C MET 72 -55.00 -47.10 0.53 -0.54 C MET 109 -63.50 -32.20 2.14 -1.58 C MET 124 -65.40 -53.30 3.99 0.64 C MET 144 -82.90 -37.30 3.29 0.62 C MET 145 -68.90 -67.30 0.19 -0.54 I MET 20 -77.40 111.80 -0.04 -0.35 I MET 36 -64.70 -20.90 1.94 -0.84 I MET 44 -87.60 116.00 -1.35 2.61 I MET 95 -90.40 142.30 -1.51 1.47 I MET 130 -103.00 151.40 -3.32 -0.84 I MET 148 -121.90 145.60 -1.68 4.58 S MET 26 -97.50 120.80 -0.87 -0.98 S MET 65 -55.60 -49.40 4.45 -0.12 B PHE 4 -64.10 -23.30 1.10 -1.30 B PHE 22 -136.40 155.00 -2.80 3.70 B PHE 33 -151.40 165.80 -2.50 2.30 B PHE 45 -133.50 153.30 -1.80 5.30 C PHE 12 -60.00 -42.70 1.65 -1.25 C PHE 16 -56.70 -44.20 3.98 0.49 C PHE 19 -73.40 -46.90 1.27 1.43 C PHE 68 -55.10 -55.30 3.22 0.91 C PHE 89 -51.90 -45.90 4.04 0.09 C PHE 92 -63.40 -48.10 1.64 1.43 C PHE 141 -55.00 -51.10 3.49 0.83 I PHE 42 -92.90 160.40 -0.92 1.96 I PHE 46 -91.40 103.30 0.55 -1.16 I PHE 99 -93.80 -6.80 -0.44 2.13 I PHE 101 -120.90 151.30 -2.24 3.28 I PHE 112 -116.90 105.80 -1.91 2.63 I PHE 117 -124.30 91.80 -4.71 -0.33 I PHE 133 -142.70 174.60 -2.74 2.95 I PHE 146 -132.60 170.50 -1.91 5.09 I PHE 150 -82.90 144.00 0.22 0.16 S PHE 34 -107.50 142.40 -0.78 3.52 S PHE 61 -60.00 -56.80 3.68 0.92 S PHE 76 -78.50 156.10 1.45 0.92 B PRO 2 -61.40 144.90 0.10 1.00 B PRO 8 -67.50 155.20 -1.50 -1.00 B PRO 9 -63.50 144.70 -0.50 -1.30 B PRO 13 -82.40 -3.40 1.10 1.30 C PRO 43 -64.20 157.90 -0.56 0.59 C PRO 66 -53.10 -40.10 3.60 -0.71 I PRO 23 -64.50 -28.80 0.88 -0.10 I PRO 57 -69.40 129.10 -0.77 0.06 I PRO 78 -66.70 134.40 0.22 -0.26 I PRO 87 -63.20 -16.00 0.88 0.39 I PRO 91 -77.70 171.20 -0.44 2.37 I PRO 118 -49.70 135.60 0.22 0.39 I PRO 131 -62.30 151.10 -0.44 1.05 S PRO 11 -72.20 150.40 0.07 1.41 S PRO 31 -70.70 133.00 -0.49 0.22 S PRO 42 -60.80 140.30 -1.05 0.96 S PRO 117 -85.50 16.50 1.00 1.15 B SER 47 -141.30 151.20 -2.00 3.70 C SER 17 -61.70 -27.20 3.24 0.16 C SER 38 -62.80 -16.80 3.41 -0.19 C SER 101 -93.30 172.30 -2.44 3.14 I SER 5 -130.40 175.70 -1.46 2.75 I SER 13 -68.80 0.50 1.99 -1.19 I SER 17 -95.20 156.80 0.67 2.25 I SER 21 -74.90 -72.20 -1.62 -0.21 I SER 43 -113.40 103.20 -1.95 0.28 I SER 45 -103.00 139.00 -1.45 1.92 I SER 52 -135.50 175.60 -1.32 0.94 I SER 70 -146.30 157.30 -2.61 3.90 I SER 84 -85.00 146.90 0.02 0.28 I SER 114 -72.90 134.90 0.85 -0.21 I SER 123 -135.60 156.30 -0.80 4.07 I SER 125 -96.40 157.40 -1.62 0.94 I SER 152 -82.40 154.70 0.02 0.61 S SER 59 -63.00 -43.00 3.48 -0.33 S SER 128 -63.00 -38.50 4.97 -0.77 S SER 141 -79.20 180.00 1.55 1.09 B THR 11 -71.70 -39.70 5.00 1.00 B THR 32 -89.00 156.50 -1.50 2.70 B THR 54 -82.30 -41.70 4.00 0.00 C THR 5 -36.90 22.90 -1.54 1.96 C THR 26 -145.30 158.50 -2.20 3.49 C THR 28 -102.10 160.60 -2.45 3.28 C THR 29 -63.70 -30.10 4.43 -0.99 C THR 34 -70.40 -29.20 4.63 -0.44 C THR 44 -86.40 168.30 -1.54 1.96 C THR 62 -138.70 163.90 -2.36 2.75 C THR 70 -74.40 -34.10 4.32 -0.93 C THR 110 -70.50 -34.30 3.38 -0.62 C THR 117 -79.20 169.30 -1.45 1.96 C THR 146 -69.00 -51.50 0.44 1.01 I THR 9 -118.50 160.10 -2.40 2.67 I THR 79 -138.50 142.20 -0.10 3.48 I THR 124 -126.30 169.50 -3.71 1.51 I THR 137 -123.10 129.60 -2.07 1.35 I THR 144 -124.50 0.90 -1.74 2.01 I THR 147 -122.70 156.90 -0.92 0.85 S THR 13 -120.50 131.60 -1.83 2.23 S THR 22 -137.10 130.50 -0.42 3.46 S THR 33 -101.10 131.30 1.89 -1.01 S THR 41 -96.10 154.30 -3.58 -1.12 S THR 62 -55.50 -48.90 5.72 -1.19 S THR 82 -137.50 150.60 -3.77 3.27 S THR 120 -53.00 -42.70 4.60 -2.61 I TRP 120 -103.00 128.80 -0.79 -1.17 S TRP 140 -83.70 2.70 -2.90 -0.43 B TYR 10 -120.90 110.10 -1.80 2.20 B TYR 21 -102.00 148.70 -0.40 1.70 B TYR 23 -86.20 121.10 1.50 0.40 B TYR 35 -94.80 136.50 -3.30 0.90 C TYR 138 -51.60 -48.50 4.62 -1.15 I TYR 24 -128.50 24.00 -2.34 0.36 I TYR 68 -129.70 146.60 -0.86 4.14 I TYR 90 -125.70 152.50 -2.01 2.49 I TYR 121 -122.70 153.90 -1.68 2.99 S TYR 27 -133.00 118.80 -1.44 3.09 S TYR 85 -96.00 -0.20 -0.51 -0.37 S TYR 91 -95.10 130.30 -0.70 -1.11 S TYR 93 -118.10 139.30 -1.81 2.61 S TYR 113 53.80 47.20 -0.51 -3.98 S TYR 115 -122.20 108.60 -3.41 -0.37 B VAL 34 -98.40 114.90 -0.10 -0.20 C VAL 35 -70.30 -46.90 3.66 -0.91 C VAL 55 -98.30 -32.10 -1.43 0.54 C VAL 91 -76.80 -39.20 3.32 -0.67 C VAL 108 -61.70 -32.10 3.72 -0.45 C VAL 121 -74.20 -38.10 4.71 -0.81 C VAL 136 -117.70 121.80 -0.59 1.45 C VAL 142 -63.00 -38.80 4.89 -0.79 I VAL 3 180.00 138.70 -0.95 0.98 I VAL 19 -147.20 161.70 -3.44 3.90 I VAL 40 -71.20 134.80 -0.30 0.30 I VAL 41 -103.40 118.60 -0.60 0.65 I VAL 47 -100.90 -177.20 -2.11 1.00 I VAL 58 -136.60 165.40 -3.91 4.92 I VAL 72 -142.70 157.30 -3.91 3.90 I VAL 85 -137.60 161.70 -4.24 2.76 I VAL 100 -95.90 134.90 1.00 -0.01 I VAL 132 -81.30 137.80 0.36 -0.01 I VAL 151 -131.60 157.00 -1.00 1.30 S VAL 23 -142.20 148.00 -2.11 4.36 S VAL 39 -138.60 172.00 -5.01 5.21 S VAL 66 -79.00 -29.00 1.91 -0.63 S VAL 74 -116.20 139.90 -2.85 2.13 S VAL 99 -62.50 -40.20 3.66 0.56 S VAL 104 -62.30 -48.40 2.43 -0.11 S VAL 111 -75.20 125.70 0.87 -1.60 S VAL 114 -80.40 109.10 0.13 -2.12 W ALA 35 0.00 0.00 2.70 -1.30 W ALA 53 0.00 0.00 -2.40 5.20 W ALA 63 0.00 0.00 2.40 3.30 W ALA 65 0.00 0.00 2.30 -1.40 W ALA 66 0.00 0.00 1.70 0.10 W ALA 68 0.00 0.00 1.70 -1.40 W ALA 76 0.00 0.00 0.60 -2.00 W ALA 85 0.00 0.00 1.60 -0.50 W ALA 86 0.00 0.00 -0.50 0.70 W ARG 12 0.00 0.00 0.70 -0.70 W ARG 17 0.00 0.00 -1.80 2.70 W ARG 61 0.00 0.00 3.20 -1.20 W ARG 92 0.00 0.00 -0.10 0.00 W ASN 4 0.00 0.00 0.30 0.50 W ASN 7 0.00 0.00 0.30 0.50 W ASN 15 0.00 0.00 -0.90 0.60 W ASN 22 0.00 0.00 0.70 0.10 W ASN 24 0.00 0.00 -2.00 -3.00 W ASN 59 0.00 0.00 -0.90 4.00 W ASN 62 0.00 0.00 3.20 0.50 W ASN 83 0.00 0.00 -0.50 4.70 W ASN 91 0.00 0.00 0.10 0.60 W ASP 10 0.00 0.00 -2.30 0.40 W ASP 32 0.00 0.00 3.00 0.70 W ASP 71 0.00 0.00 2.90 0.00 W ASP 81 0.00 0.00 -1.70 1.00 W CYS 46 0.00 0.00 0.30 -1.70 W GLU 34 0.00 0.00 3.80 -0.70 W GLU 87 0.00 0.00 -2.80 0.30 W ILE 20 0.00 0.00 -1.80 0.60 W ILE 36 0.00 0.00 3.00 1.40 W ILE 43 0.00 0.00 -0.60 0.60 W ILE 75 0.00 0.00 -1.70 2.30 W ILE 82 0.00 0.00 -2.30 1.50 W LEU 23 0.00 0.00 -3.00 2.10 W LEU 26 0.00 0.00 1.80 -1.10 W LEU 80 0.00 0.00 0.60 -0.10 W LEU 84 0.00 0.00 0.30 -0.40 W LYS 8 0.00 0.00 -0.40 0.30 W LYS 29 0.00 0.00 -2.80 1.30 W LYS 39 0.00 0.00 1.40 -1.10 W LYS 42 0.00 0.00 0.70 1.10 W LYS 50 0.00 0.00 0.00 -2.00 W LYS 89 0.00 0.00 0.00 0.30 W LYS 94 0.00 0.00 0.80 1.00 W MET 14 0.00 0.00 1.50 -0.50 W MET 74 0.00 0.00 -0.60 0.60 W PHE 19 0.00 0.00 -1.30 1.70 W PHE 37 0.00 0.00 4.70 -2.30 W PHE 52 0.00 0.00 -2.50 1.50 W PHE 54 0.00 0.00 -1.70 4.90 W PRO 11 0.00 0.00 1.10 0.40 W PRO 88 0.00 0.00 1.10 0.80 W SER 3 0.00 0.00 -0.30 0.40 W SER 13 0.00 0.00 1.00 -0.20 W SER 16 0.00 0.00 -1.40 0.10 W SER 31 0.00 0.00 3.00 -1.80 W SER 38 0.00 0.00 2.80 -0.80 W SER 47 0.00 0.00 -1.70 1.80 W THR 6 0.00 0.00 -0.60 0.40 W THR 9 0.00 0.00 -0.60 0.40 W THR 25 0.00 0.00 1.10 0.40 W TYR 40 0.00 0.00 0.60 -0.70 W TYR 57 0.00 0.00 -0.10 2.40 W VAL 5 0.00 0.00 -0.20 0.00 W VAL 18 0.00 0.00 -1.00 2.10 W VAL 27 0.00 0.00 0.50 2.70 W VAL 28 0.00 0.00 0.60 -0.50 W VAL 33 0.00 0.00 4.90 -0.80 W VAL 44 0.00 0.00 -0.30 -0.20 W VAL 48 0.00 0.00 -0.20 0.80 W VAL 55 0.00 0.00 -1.10 3.00 W VAL 58 0.00 0.00 1.90 0.30 W VAL 67 0.00 0.00 4.10 -0.50 W VAL 79 0.00 0.00 0.40 -0.30 W VAL 90 0.00 0.00 -0.50 0.40 J ALA 24 0.00 0.00 -1.40 -0.90 J ALA 42 0.00 0.00 3.30 -0.20 J ALA 76 0.00 0.00 -2.90 4.00 J ALA 107 0.00 0.00 -1.10 1.80 J ALA 131 0.00 0.00 -0.70 0.20 J ARG 112 0.00 0.00 -0.30 -0.70 J ARG 165 0.00 0.00 -0.80 3.00 J ASN 32 0.00 0.00 0.90 -0.40 J ASN 57 0.00 0.00 -0.40 2.00 J ASN 74 0.00 0.00 2.20 -1.00 J ASN 142 0.00 0.00 -0.90 -1.60 J ASP 0 0.00 0.00 2.10 0.50 J ASP 12 0.00 0.00 0.60 0.50 J ASP 13 0.00 0.00 0.60 0.20 J ASP 38 0.00 0.00 0.80 3.80 J ASP 48 0.00 0.00 -3.00 3.10 J ASP 64 0.00 0.00 -0.50 0.00 J ASP 82 0.00 0.00 3.20 -1.10 J ASP 94 0.00 0.00 2.40 -2.00 J ASP 117 0.00 0.00 1.10 -0.40 J ASP 123 0.00 0.00 -2.50 0.00 J GLU 21 0.00 0.00 -0.80 2.20 J GLU 29 0.00 0.00 -2.05 3.30 J GLU 43 0.00 0.00 -0.70 -1.60 J GLU 80 0.00 0.00 -2.50 1.60 J GLU 86 0.00 0.00 -1.20 1.70 J GLU 97 0.00 0.00 1.40 -0.40 J GLU 101 0.00 0.00 1.80 0.00 J GLU 108 0.00 0.00 -2.80 3.30 J GLU 109 0.00 0.00 2.70 0.00 J GLU 128 0.00 0.00 3.10 -0.10 J GLU 129 0.00 0.00 2.10 0.60 J GLU 145 0.00 0.00 -0.30 0.60 J GLU 148 0.00 0.00 -0.20 4.30 J GLU 160 0.00 0.00 1.10 3.80 J GLN 111 0.00 0.00 0.50 2.70 J ILE 20 0.00 0.00 -0.50 2.90 J ILE 22 0.00 0.00 -2.70 -1.70 J ILE 23 0.00 0.00 -3.10 -2.00 J ILE 30 0.00 0.00 2.40 0.20 J ILE 33 0.00 0.00 1.50 1.00 J ILE 45 0.00 0.00 2.60 -0.80 J ILE 50 0.00 0.00 -3.40 5.40 J ILE 52 0.00 0.00 -2.10 4.40 J ILE 67 0.00 0.00 -0.10 -1.50 J ILE 70 0.00 0.00 0.60 1.80 J ILE 79 0.00 0.00 -2.10 4.00 J ILE 93 0.00 0.00 -4.10 1.20 J ILE 106 0.00 0.00 -1.20 -0.50 J ILE 120 0.00 0.00 -1.60 8.50 J ILE 140 0.00 0.00 -0.90 -0.40 J ILE 146 0.00 0.00 -1.80 0.80 J ILE 150 0.00 0.00 -0.60 1.20 J ILE 164 0.00 0.00 -1.60 8.30 J ILE 166 0.00 0.00 -2.20 4.60 J LEU 2 0.00 0.00 1.40 0.10 J LEU 9 0.00 0.00 0.40 0.10 J LEU 26 0.00 0.00 0.20 2.60 J LEU 87 0.00 0.00 -1.50 3.80 J LEU 98 0.00 0.00 0.40 -1.70 J LEU 124 0.00 0.00 4.50 -3.40 J LEU 126 0.00 0.00 2.90 0.20 J LEU 127 0.00 0.00 2.90 -0.10 J LEU 135 0.00 0.00 1.50 0.70 J LEU 149 0.00 0.00 -0.10 1.90 J LEU 152 0.00 0.00 -1.30 -3.00 J LYS 14 0.00 0.00 -0.20 0.30 J LYS 15 0.00 0.00 0.00 0.60 J LYS 53 0.00 0.00 -3.70 -0.10 J LYS 58 0.00 0.00 -0.80 2.50 J LYS 69 0.00 0.00 -1.70 2.80 J LYS 99 0.00 0.00 1.30 -2.90 J LYS 104 0.00 0.00 -1.10 3.40 J LYS 114 0.00 0.00 -3.40 2.50 J LYS 130 0.00 0.00 1.80 3.20 J LYS 132 0.00 0.00 3.10 -0.10 J LYS 147 0.00 0.00 1.20 1.10 J LYS 151 0.00 0.00 0.40 0.30 J LYS 167 0.00 0.00 -1.30 2.50 J LYS 168 0.00 0.00 1.60 2.10 J MET 59 0.00 0.00 -0.90 5.50 J PHE 3 0.00 0.00 -0.10 -0.10 J PHE 41 0.00 0.00 1.60 1.00 J PHE 71 0.00 0.00 1.20 -0.40 J PHE 77 0.00 0.00 -2.40 3.60 J PHE 88 0.00 0.00 -2.90 2.80 J PHE 91 0.00 0.00 0.50 -0.10 J PHE 103 0.00 0.00 -0.50 5.20 J PHE 122 0.00 0.00 -3.10 3.50 J PRO 54 0.00 0.00 0.60 2.80 J PRO 137 0.00 0.00 -0.50 3.20 J SER 0 0.00 0.00 0.40 0.40 J SER 11 0.00 0.00 0.00 0.60 J SER 27 0.00 0.00 -0.10 1.90 J SER 78 0.00 0.00 -2.80 3.90 J SER 81 0.00 0.00 -0.20 1.60 J SER 83 0.00 0.00 -1.20 0.40 J SER 133 0.00 0.00 -1.30 1.60 J SER 141 0.00 0.00 0.80 0.70 J SER 153 0.00 0.00 -0.40 3.10 J SER 155 0.00 0.00 0.30 0.60 J THR 17 0.00 0.00 0.10 0.60 J THR 19 0.00 0.00 0.10 1.20 J THR 55 0.00 0.00 -1.10 1.60 J THR 66 0.00 0.00 -0.90 2.00 J THR 73 0.00 0.00 0.30 -2.00 J THR 95 0.00 0.00 1.20 -1.80 J THR 118 0.00 0.00 4.00 -0.70 J THR 134 0.00 0.00 -1.00 -1.00 J THR 136 0.00 0.00 -1.30 3.10 J THR 157 0.00 0.00 -0.10 1.10 J THR 161 0.00 0.00 -0.20 1.50 J VAL 10 0.00 0.00 0.00 0.60 J VAL 36 0.00 0.00 -2.10 -0.50 J VAL 39 0.00 0.00 3.50 -0.20 J VAL 40 0.00 0.00 3.50 -1.40 J VAL 46 0.00 0.00 -0.20 -0.70 J VAL 60 0.00 0.00 -4.70 2.40 J VAL 63 0.00 0.00 -3.90 4.10 J VAL 85 0.00 0.00 -0.10 0.90 J VAL 89 0.00 0.00 -1.70 0.50 J VAL 96 0.00 0.00 2.40 -0.90 J VAL 113 0.00 0.00 -3.30 4.00 J VAL 115 0.00 0.00 1.90 -0.50 J VAL 119 0.00 0.00 1.30 1.60 J VAL 138 0.00 0.00 -0.20 0.60 J VAL 139 0.00 0.00 -3.30 4.10 J VAL 156 0.00 0.00 -3.20 4.10 J VAL 158 0.00 0.00 -0.30 -0.50 J VAL 163 0.00 0.00 -1.30 1.00