# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 95.50 10.27 13.59 24.37 117.13 -156.68 -93.08 131.62 99.46 0.51 0.03 99.41 0.17 0.06 0.01 0.00 0.00 0.28 0.06 1 T C C 89.19 4.79 13.09 19.55 119.80 -163.30 -104.70 141.58 85.90 9.74 4.36 75.69 2.69 7.41 1.62 2.27 0.00 6.99 3.33 2 G C C 44.82 6.20 11.88 19.46 116.26 -127.19 87.39 158.91 85.03 9.67 5.30 45.79 21.24 18.65 1.23 4.13 0.00 6.38 2.57 3 R C C 156.01 4.42 13.52 19.24 106.94 -60.18 -91.77 58.42 82.57 10.16 7.27 44.45 19.51 19.27 1.86 5.39 0.01 6.07 3.44 4 G C C 38.01 8.46 11.78 21.14 115.56 21.37 83.87 170.94 85.30 7.24 7.45 44.85 21.42 19.46 1.86 5.65 0.01 4.02 2.73 5 K C C 147.69 3.31 14.35 18.90 108.42 -79.25 -86.84 108.38 84.14 6.91 8.95 39.33 19.96 25.52 2.12 6.60 0.01 3.61 2.85 6 G C C 50.58 4.53 13.53 19.47 107.89 7.86 82.29 1.66 86.74 4.80 8.46 32.89 23.64 30.76 1.74 6.53 0.01 2.45 1.99 7 G C C 39.97 8.02 11.86 20.88 117.38 -76.71 68.96 171.61 85.80 5.58 8.62 42.70 23.65 19.59 1.88 6.84 0.01 2.79 2.55 8 K C C 146.35 3.19 14.58 19.06 108.51 -113.33 -92.00 92.64 81.59 8.59 9.81 42.36 20.15 19.66 2.60 7.03 0.02 4.38 3.79 9 G C C 43.20 6.76 12.72 20.55 112.94 -68.33 73.53 -7.18 83.90 6.78 9.32 40.85 21.51 22.10 2.34 6.83 0.01 3.54 2.82 10 L C C 100.72 7.51 12.31 20.77 107.85 -52.20 -88.46 68.16 81.76 7.89 10.35 36.98 21.66 24.13 3.28 6.51 0.03 4.04 3.37 11 G C C 42.35 5.57 12.81 19.71 115.59 -12.36 81.64 -147.21 84.20 5.66 10.13 36.94 25.32 22.83 3.54 6.02 0.02 2.78 2.56 12 K C C 154.08 2.46 13.09 16.76 107.76 -58.62 -80.51 97.08 77.44 4.23 18.33 28.56 21.50 28.47 8.64 8.61 0.05 1.99 2.18 13 G C T 52.90 3.16 13.10 17.37 104.13 14.39 64.80 -9.24 76.41 2.14 21.45 22.70 20.40 34.13 11.61 8.88 0.04 0.98 1.26 14 G C C 40.97 6.19 12.62 20.08 107.99 -22.44 12.50 -46.56 65.86 2.05 32.09 30.63 17.58 18.87 20.81 9.99 0.04 0.86 1.22 15 A C H 54.41 8.44 11.38 20.94 109.22 37.62 -82.10 131.27 48.70 2.93 48.38 28.17 11.24 11.15 37.23 9.46 0.06 1.53 1.16 16 K H H 129.00 3.93 14.33 19.52 107.10 -122.45 -81.64 90.94 39.47 3.92 56.61 25.18 7.78 8.74 46.03 8.57 0.06 2.45 1.18 17 R H H 136.03 5.19 14.27 20.71 104.45 51.46 -77.03 1.22 33.37 3.77 62.86 22.69 5.96 7.02 53.89 6.90 0.04 2.53 0.98 18 H H H 85.08 10.92 13.04 24.48 104.66 53.20 -81.26 5.51 30.65 2.60 66.74 22.47 4.60 5.66 60.32 4.61 0.02 1.67 0.66 19 R H H 117.94 9.07 14.68 24.43 100.14 54.42 -73.69 -27.30 19.59 1.52 78.88 14.02 3.02 4.15 73.86 3.58 0.01 1.04 0.32 20 K H H 119.79 4.30 16.86 21.97 99.10 51.99 -72.66 -34.08 14.05 1.86 84.08 9.18 2.23 3.85 79.04 3.87 0.02 1.50 0.31 21 V H H 60.93 8.80 15.26 25.21 99.72 50.87 -73.88 -36.55 11.74 2.10 86.15 7.33 1.83 3.53 81.08 4.05 0.03 1.85 0.30 22 L H H 52.76 13.61 13.58 27.37 99.02 51.42 -73.39 -30.43 12.67 1.75 85.58 7.55 2.03 4.18 79.62 4.80 0.03 1.49 0.31 23 R H H 120.25 8.49 16.02 25.13 96.76 53.97 -70.54 -31.27 16.19 1.23 82.58 7.39 2.76 7.16 75.33 6.07 0.06 0.90 0.32 24 D H H 93.56 4.39 17.06 22.26 98.05 51.49 -76.83 -21.86 25.49 0.68 73.83 6.62 4.01 15.42 65.64 7.49 0.14 0.41 0.28 25 N H H 79.95 8.74 16.51 25.70 101.17 45.36 -92.84 8.17 40.68 0.80 58.52 10.33 5.97 25.05 49.68 8.04 0.11 0.43 0.41 26 I C H 38.45 19.00 11.51 29.23 101.27 91.34 -90.51 12.52 56.93 3.80 39.27 27.14 8.78 22.38 28.36 9.34 0.13 1.99 1.89 27 Q C T 121.30 4.46 17.05 23.10 107.34 126.53 -73.60 116.65 81.14 2.31 16.56 12.12 7.28 60.90 12.26 4.94 0.05 1.35 1.09 28 G C T 50.15 4.39 19.04 23.90 98.61 22.34 83.00 -1.87 91.65 1.15 7.20 11.91 11.03 69.12 3.15 3.62 0.00 0.75 0.42 29 I C C 25.19 21.15 9.99 30.20 115.44 118.10 -89.34 128.65 94.62 4.32 1.06 80.09 13.40 0.78 0.74 0.34 0.00 1.66 2.97 30 T C C 68.14 4.05 22.07 25.72 123.76 -144.94 -90.00 160.51 96.28 2.78 0.95 94.49 1.64 0.26 0.83 0.11 0.00 0.80 1.87 31 K H H 103.64 11.84 14.72 26.76 92.35 -103.78 -58.50 -40.21 2.42 0.01 97.56 0.58 0.43 1.20 97.48 0.31 0.00 0.00 0.00 32 P H H 77.10 2.59 20.55 22.49 91.54 52.45 -63.41 -39.06 1.37 0.01 98.63 0.25 0.12 0.84 98.40 0.38 0.00 0.00 0.00 33 A H H 24.95 9.77 17.83 29.33 91.87 50.95 -64.67 -40.85 0.52 0.01 99.47 0.13 0.05 0.27 99.20 0.34 0.00 0.00 0.00 34 I H H 12.49 21.17 14.99 36.17 91.96 50.13 -64.70 -42.35 0.39 0.01 99.60 0.10 0.05 0.18 99.52 0.13 0.00 0.00 0.00 35 R H H 110.20 8.05 20.64 29.07 91.52 50.82 -63.28 -41.25 0.74 0.02 99.25 0.20 0.09 0.38 99.24 0.09 0.00 0.01 0.00 36 R H H 123.01 2.74 22.29 24.18 91.80 49.94 -64.52 -42.09 1.05 0.03 98.92 0.24 0.13 0.59 98.88 0.13 0.00 0.02 0.01 37 L H H 31.64 12.70 17.45 31.28 92.22 49.95 -64.73 -41.89 1.58 0.07 98.35 0.42 0.23 0.89 98.10 0.30 0.01 0.04 0.02 38 A H H 19.47 15.55 13.92 29.97 92.09 51.63 -64.12 -40.40 3.37 0.08 96.55 0.78 0.32 2.16 95.93 0.73 0.01 0.05 0.02 39 R H H 161.97 2.20 17.79 20.41 92.32 49.91 -66.53 -37.33 9.12 0.11 90.77 0.99 0.75 7.26 89.74 1.12 0.04 0.06 0.04 40 R H H 156.86 2.38 15.88 18.70 94.26 51.92 -73.75 -24.57 29.32 0.19 70.49 1.57 2.54 25.27 68.62 1.71 0.10 0.08 0.11 41 G C T 37.67 8.62 13.14 22.56 98.91 42.82 -88.66 -4.98 68.78 0.19 31.03 2.60 6.72 57.77 30.78 1.89 0.02 0.07 0.15 42 G C T 51.12 3.08 17.11 20.60 99.16 -112.93 79.68 11.32 97.99 0.45 1.57 31.93 14.42 51.88 0.55 0.81 0.00 0.25 0.15 43 V C C 38.69 16.50 8.52 24.31 114.17 146.46 -84.83 129.03 90.96 7.12 1.92 85.61 4.00 1.47 0.71 1.06 0.00 5.13 2.02 44 K C C 158.63 1.58 18.04 19.51 100.11 -173.07 -90.31 -25.24 89.23 8.92 1.85 56.56 28.08 4.87 0.47 1.45 0.00 7.58 0.99 45 R C C 144.30 3.55 18.71 23.15 127.52 19.39 -132.99 138.69 60.42 37.11 2.48 45.73 10.87 4.30 0.82 1.79 0.01 33.83 2.64 46 I E C 42.19 19.78 9.83 28.06 119.21 -166.98 -116.05 126.67 46.92 51.51 1.58 42.02 2.69 0.63 1.21 0.65 0.00 41.38 11.42 47 S C C 58.98 4.06 17.77 22.45 125.59 -161.01 -110.80 164.28 78.36 19.90 1.73 73.95 2.97 0.97 1.26 0.49 0.00 18.76 1.60 48 G H H 48.10 3.47 16.92 20.82 104.43 -9.78 53.27 -77.24 36.26 0.78 62.96 5.21 10.40 22.04 55.79 5.54 0.27 0.39 0.37 49 L H H 100.06 3.73 16.44 20.77 94.01 22.32 -69.28 -33.85 23.49 0.40 76.11 3.51 3.85 16.79 69.41 5.86 0.18 0.22 0.18 50 I H H 44.69 12.00 15.13 28.06 92.37 54.09 -65.11 -40.35 13.03 0.54 86.43 4.56 2.17 7.28 79.65 5.73 0.07 0.37 0.16 51 Y H H 62.01 14.31 15.17 29.66 91.86 53.03 -63.21 -42.21 3.66 0.19 96.15 1.76 0.58 1.61 94.14 1.71 0.01 0.15 0.03 52 E H H 117.12 2.90 20.39 23.25 91.83 49.70 -64.78 -40.69 2.47 0.11 97.41 0.79 0.30 1.37 96.11 1.30 0.01 0.10 0.02 53 E H H 98.60 4.75 20.56 25.52 92.52 47.23 -66.45 -41.05 3.97 0.08 95.94 0.70 0.38 2.74 94.74 1.35 0.01 0.06 0.02 54 T H H 18.07 17.81 16.76 34.53 92.85 47.60 -67.30 -40.87 6.76 0.07 93.18 1.00 0.66 4.87 92.53 0.87 0.01 0.03 0.02 55 R H H 86.79 13.20 19.25 32.06 91.78 52.94 -62.33 -41.38 3.20 0.02 96.78 0.74 0.30 1.98 96.59 0.37 0.00 0.01 0.01 56 G H H 33.31 3.49 22.21 25.47 91.51 50.96 -63.78 -41.57 2.72 0.01 97.27 0.36 0.19 2.02 96.97 0.46 0.00 0.00 0.00 57 V H H 50.79 8.75 21.13 30.60 91.89 49.45 -65.12 -42.36 0.57 0.00 99.42 0.11 0.04 0.35 99.31 0.20 0.00 0.00 0.00 58 L H H 23.14 18.31 17.80 36.16 91.96 50.66 -64.26 -42.23 0.14 0.00 99.86 0.03 0.01 0.07 99.84 0.05 0.00 0.00 0.00 59 K H H 96.23 8.51 21.07 29.91 91.66 51.80 -63.49 -41.17 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 60 V H H 73.23 3.70 22.47 25.77 91.63 49.88 -64.14 -42.56 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 61 F H H 59.70 11.92 20.36 32.49 91.97 48.99 -64.62 -42.67 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 62 L H H 29.19 17.03 18.17 35.26 91.87 49.70 -64.72 -41.79 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 63 E H H 92.44 6.10 21.61 28.10 91.82 51.20 -64.20 -41.12 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 64 N H H 72.41 5.07 22.31 27.41 92.18 49.14 -66.09 -40.49 0.49 0.00 99.51 0.03 0.02 0.36 99.56 0.03 0.00 0.00 0.00 65 V H H 26.89 15.15 19.30 34.82 92.37 49.15 -65.17 -42.97 0.67 0.00 99.33 0.08 0.04 0.43 99.40 0.05 0.00 0.00 0.00 66 I H H 43.35 14.18 19.71 33.92 91.75 50.21 -63.92 -42.50 0.47 0.00 99.52 0.11 0.04 0.25 99.47 0.13 0.00 0.00 0.00 67 R H H 130.76 3.14 23.76 26.52 91.54 50.09 -63.82 -41.78 0.52 0.00 99.47 0.09 0.04 0.32 99.39 0.15 0.00 0.00 0.00 68 D H H 59.34 6.98 22.26 29.60 91.86 48.52 -65.38 -40.78 0.98 0.01 99.01 0.16 0.07 0.65 98.91 0.20 0.00 0.00 0.00 69 A H H 13.51 17.11 17.30 34.99 92.02 51.20 -63.88 -41.70 1.51 0.01 98.48 0.25 0.13 0.98 98.30 0.32 0.00 0.00 0.00 70 V H H 56.97 8.34 20.55 29.60 91.84 50.13 -64.37 -41.45 2.95 0.05 97.00 0.58 0.33 1.87 96.69 0.48 0.01 0.03 0.01 71 T H H 70.75 2.65 22.36 23.90 91.64 49.66 -64.42 -42.11 5.82 0.15 94.03 1.44 0.76 3.52 93.40 0.74 0.02 0.08 0.04 72 Y H H 68.24 9.90 17.98 28.84 92.50 47.94 -66.36 -40.60 8.29 0.34 91.37 2.70 1.35 4.58 89.49 1.55 0.04 0.20 0.10 73 T H H 26.98 13.69 13.74 28.33 92.37 52.05 -65.69 -38.00 11.41 0.34 88.25 4.54 1.66 5.47 85.74 2.26 0.02 0.20 0.10 74 E H H 124.38 2.50 17.68 20.34 92.53 52.65 -66.02 -37.93 16.82 0.23 82.94 3.54 2.05 11.00 80.70 2.46 0.05 0.12 0.09 75 H H H 132.20 2.19 15.68 17.79 93.97 47.98 -76.73 -24.81 26.88 0.30 72.82 4.47 3.86 18.77 70.35 2.20 0.07 0.12 0.16 76 A C H 40.56 11.42 9.22 20.99 101.01 64.33 -82.00 -3.65 62.33 0.86 36.80 19.35 12.90 29.33 35.19 2.39 0.03 0.30 0.51 77 K C T 174.22 0.85 15.27 15.17 96.42 -133.51 3.23 13.32 86.49 0.61 12.90 26.87 13.14 46.41 10.31 2.67 0.00 0.26 0.35 78 R C C 112.89 6.57 10.77 19.06 124.00 102.46 -108.49 148.87 87.84 1.34 10.82 47.74 22.25 17.98 6.81 3.82 0.00 0.56 0.84 79 K C S 157.02 2.73 14.71 18.64 97.19 -144.64 -83.11 -12.46 93.06 1.50 5.43 27.59 52.59 13.15 2.98 2.29 0.00 0.89 0.51 80 T C C 80.61 4.17 18.24 23.38 127.49 44.11 -129.01 144.10 70.69 23.83 5.48 39.90 23.92 7.97 3.18 2.62 0.03 18.45 3.92 81 V C C 24.61 19.99 11.34 30.86 119.17 -156.61 -109.75 130.48 66.85 31.34 1.81 59.01 6.86 0.51 1.75 0.42 0.00 23.16 8.30 82 T C C 57.34 5.37 23.15 28.42 125.01 -151.20 -94.02 163.13 79.01 19.72 1.28 78.90 1.36 0.22 1.28 0.15 0.00 15.22 2.87 83 A H H 42.47 14.68 15.08 29.88 91.08 -103.98 -58.36 -38.96 2.18 0.01 97.81 0.40 0.30 1.30 97.57 0.42 0.00 0.00 0.00 84 M H H 103.67 4.25 21.67 26.01 91.52 54.74 -64.10 -40.05 0.76 0.00 99.23 0.11 0.06 0.51 99.02 0.31 0.00 0.00 0.00 85 D H H 41.41 11.25 20.03 31.96 91.88 50.34 -65.32 -40.43 0.25 0.00 99.75 0.05 0.02 0.15 99.50 0.28 0.00 0.00 0.00 86 V H H 10.12 21.45 17.57 38.96 91.74 49.65 -64.45 -43.43 0.11 0.00 99.89 0.02 0.01 0.07 99.84 0.07 0.00 0.00 0.00 87 V H H 46.47 10.23 21.19 32.13 91.51 49.92 -63.36 -42.76 0.13 0.00 99.87 0.02 0.01 0.08 99.85 0.04 0.00 0.00 0.00 88 Y H H 101.65 3.74 23.47 26.88 91.53 48.94 -64.05 -42.20 0.22 0.00 99.78 0.03 0.01 0.15 99.75 0.07 0.00 0.00 0.00 89 A H H 12.47 13.00 17.52 32.35 91.50 50.75 -63.24 -42.72 0.51 0.00 99.48 0.06 0.03 0.34 99.42 0.15 0.00 0.00 0.00 90 L H H 25.47 15.54 15.49 31.71 92.06 49.83 -64.40 -41.33 1.48 0.01 98.51 0.24 0.12 0.98 98.21 0.44 0.00 0.00 0.00 91 K H H 129.47 3.47 17.41 21.87 91.82 50.58 -64.87 -39.33 3.73 0.02 96.25 0.50 0.27 2.68 95.59 0.95 0.00 0.01 0.01 92 R H H 152.35 2.81 15.85 19.45 92.64 51.19 -68.71 -31.69 11.83 0.05 88.11 0.91 0.81 9.82 87.32 1.07 0.02 0.02 0.03 93 Q C H 92.61 7.55 12.88 21.57 95.88 48.37 -87.16 -5.42 53.07 0.20 46.72 2.73 4.18 44.14 47.28 1.43 0.03 0.07 0.14 94 G C T 56.11 2.52 15.20 18.38 98.14 -112.54 79.36 12.61 96.51 0.33 3.16 20.03 9.24 67.65 2.02 0.78 0.00 0.16 0.12 95 R C C 112.69 8.10 12.11 21.63 120.56 133.68 -101.37 141.49 94.32 2.43 3.25 82.09 9.58 2.61 1.87 1.27 0.00 1.16 1.42 96 T C C 77.32 6.29 14.86 22.53 118.47 -140.12 -97.64 141.29 91.60 5.01 3.39 84.75 4.34 2.44 1.62 1.48 0.00 2.71 2.66 97 L C C 78.72 12.04 12.11 24.21 104.79 -133.50 -82.65 17.56 82.83 7.45 9.72 37.72 24.73 21.29 2.72 6.27 0.04 3.44 3.78 98 Y C T 139.31 6.52 13.47 20.93 107.41 40.09 -90.06 89.43 84.80 5.52 9.69 17.17 25.57 42.39 2.51 6.71 0.05 2.99 2.62 99 G C C 53.57 3.47 13.12 17.83 103.03 -22.75 81.26 0.58 88.85 3.75 7.40 32.69 24.80 31.71 1.40 5.85 0.00 1.89 1.65 100 F C C 122.79 6.64 9.49 17.45 106.77 106.39 -92.97 40.61 89.21 6.04 4.75 57.06 15.39 16.68 1.37 3.16 0.00 2.85 3.50 101 G C C 54.21 3.06 11.95 16.55 108.19 -62.35 88.22 7.80 95.54 2.67 1.79 77.26 5.08 13.39 0.45 1.09 0.00 1.62 1.11 102 G C C 49.52 4.43 13.36 19.36 112.05 -58.31 86.37 -6.14 99.81 0.15 0.03 99.16 0.49 0.21 0.01 0.01 0.00 0.09 0.03