# 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 101.27 6.37 12.84 20.51 113.39 -140.18 -86.42 131.36 99.81 0.07 0.12 99.73 0.09 0.06 0.07 0.01 0.00 0.02 0.02 1 K C C 126.31 3.95 11.70 16.95 101.58 -146.32 -75.76 -23.05 54.20 0.80 44.99 48.16 0.83 4.56 44.81 0.97 0.00 0.29 0.38 2 S H H 65.41 4.29 10.97 16.65 95.64 63.60 -67.43 -39.66 20.99 0.21 78.80 12.15 2.83 5.71 78.10 1.04 0.00 0.08 0.09 3 F H H 128.49 3.47 13.02 17.32 93.86 51.89 -66.89 -36.78 6.53 0.08 93.39 3.56 0.90 2.11 92.48 0.88 0.00 0.04 0.02 4 Q H H 97.01 4.42 14.31 19.80 92.55 53.26 -65.61 -40.05 2.63 0.05 97.32 1.47 0.34 0.89 96.70 0.56 0.00 0.03 0.01 5 I H H 71.26 6.54 14.62 22.42 92.44 50.38 -65.59 -41.90 0.81 0.01 99.18 0.36 0.09 0.30 99.08 0.16 0.00 0.00 0.00 6 V H H 70.09 5.39 16.61 23.04 91.97 49.86 -64.12 -42.12 0.29 0.00 99.71 0.10 0.03 0.12 99.70 0.05 0.00 0.00 0.00 7 T H H 62.06 5.33 17.46 23.40 91.81 49.77 -64.59 -41.58 0.23 0.00 99.77 0.06 0.01 0.11 99.78 0.04 0.00 0.00 0.00 8 L H H 74.69 6.17 18.27 25.20 92.06 50.09 -64.97 -41.61 0.17 0.00 99.83 0.03 0.01 0.09 99.84 0.03 0.00 0.00 0.00 9 F H H 92.88 7.22 18.75 26.51 92.21 50.20 -64.75 -41.74 0.13 0.00 99.87 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 10 A H H 46.17 6.62 18.32 25.69 91.78 50.80 -64.15 -41.41 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 11 M H H 88.77 5.96 19.79 25.99 92.19 49.59 -65.00 -41.69 0.29 0.00 99.71 0.03 0.01 0.20 99.70 0.06 0.00 0.00 0.00 12 I H H 71.97 7.17 19.27 27.03 92.06 49.05 -64.80 -42.10 0.51 0.00 99.49 0.06 0.03 0.34 99.44 0.13 0.00 0.00 0.00 13 A H H 43.15 7.39 18.28 26.73 91.96 50.49 -64.62 -40.33 1.47 0.00 98.53 0.17 0.08 1.05 98.26 0.44 0.00 0.00 0.00 14 A H H 48.15 6.66 17.91 25.08 92.19 50.77 -65.56 -38.87 4.50 0.01 95.49 0.43 0.30 3.51 94.18 1.55 0.01 0.01 0.01 15 T H H 59.14 6.58 17.19 24.73 92.64 51.91 -66.26 -38.92 7.27 0.04 92.69 1.00 0.71 5.30 88.00 4.95 0.02 0.02 0.02 16 M H H 87.66 7.86 16.04 24.79 92.47 54.68 -67.49 -32.89 15.38 0.10 84.51 2.02 1.40 11.30 73.82 11.30 0.04 0.05 0.05 17 A H H 63.28 6.49 14.74 22.26 92.54 59.63 -70.53 -21.60 40.09 0.24 59.67 3.35 3.11 32.45 51.02 9.74 0.07 0.12 0.15 18 F C T 135.17 4.37 14.69 19.92 97.71 50.33 -92.73 -2.36 57.53 1.06 41.41 10.78 8.73 37.55 32.47 9.19 0.10 0.48 0.70 19 A C S 48.45 8.94 10.31 20.71 116.66 100.62 -81.12 140.77 86.53 1.96 11.51 39.54 42.17 4.85 9.31 2.23 0.01 0.70 1.19 20 P C C 95.18 3.79 13.06 18.22 109.55 -106.45 -66.95 144.82 80.59 1.90 17.51 61.28 9.14 9.50 12.36 5.77 0.00 1.04 0.90 21 N C C 102.01 5.07 11.94 18.58 110.25 -102.36 -83.94 125.26 75.66 2.08 22.25 51.36 12.50 11.19 16.06 6.82 0.00 1.05 1.02 22 K C C 129.34 4.55 13.35 19.28 100.37 -140.41 -79.36 -3.71 57.02 1.05 41.93 37.38 11.11 8.61 36.54 5.40 0.01 0.46 0.49 23 A H H 53.60 6.68 12.50 20.68 102.96 77.16 -71.51 -19.47 28.13 0.42 71.45 19.09 5.16 4.92 67.16 3.32 0.00 0.19 0.15 24 P H H 73.88 4.62 14.73 20.50 95.45 27.92 -66.42 -36.20 19.83 0.45 79.71 14.23 2.47 4.24 75.57 3.11 0.00 0.25 0.12 25 Q H H 96.66 4.11 15.70 20.59 94.00 51.03 -66.38 -38.97 9.30 0.38 90.32 6.38 1.47 2.52 86.38 2.92 0.00 0.25 0.08 26 V H H 64.20 5.86 15.17 22.51 93.14 51.40 -65.93 -40.79 6.91 0.35 92.74 4.57 1.07 2.00 90.00 2.05 0.01 0.24 0.06 27 A H H 47.49 5.78 15.06 22.38 92.33 51.98 -64.52 -40.44 6.06 0.22 93.73 3.65 0.94 2.00 91.42 1.80 0.01 0.14 0.04 28 Q H H 96.31 3.77 16.69 21.00 92.44 50.08 -65.68 -40.02 6.79 0.25 92.96 3.98 1.02 2.37 90.53 1.87 0.01 0.17 0.05 29 R H H 124.03 3.88 16.61 21.09 92.69 50.53 -66.40 -40.20 7.91 0.27 91.82 4.17 1.22 3.04 89.43 1.90 0.01 0.17 0.07 30 F H H 99.47 5.58 15.11 21.86 92.80 50.61 -65.85 -39.94 11.71 0.32 87.97 6.11 1.85 4.41 85.32 2.03 0.02 0.18 0.10 31 A H H 58.49 4.71 15.11 20.93 92.85 52.06 -66.23 -38.19 19.53 0.38 80.09 9.45 2.93 7.87 77.04 2.35 0.02 0.19 0.15 32 E H H 117.57 3.27 15.11 18.77 93.94 51.31 -69.71 -34.65 28.96 0.46 70.58 12.15 5.19 12.58 66.81 2.83 0.03 0.20 0.22 33 S H H 61.30 4.46 14.31 19.83 96.18 54.08 -71.73 -32.87 43.22 0.49 56.29 15.81 7.82 20.29 52.31 3.28 0.03 0.20 0.26 34 G H H 38.96 4.90 14.89 20.79 98.56 49.69 -45.62 -23.93 47.61 0.51 51.89 24.06 8.44 15.49 47.89 3.63 0.01 0.21 0.26 35 F H H 103.51 6.35 13.30 20.78 97.25 64.38 -70.02 -36.30 29.49 0.49 70.02 19.27 5.17 6.12 66.00 3.02 0.01 0.22 0.18 36 D H H 91.90 2.99 16.06 19.56 95.16 55.50 -67.17 -38.04 18.54 0.43 81.04 12.31 2.87 4.67 77.03 2.75 0.01 0.24 0.13 37 M H H 97.60 4.53 15.29 20.70 93.60 53.50 -66.31 -39.61 9.57 0.27 90.16 5.74 1.70 3.08 86.70 2.54 0.01 0.17 0.07 38 K H H 101.09 7.03 15.32 23.34 93.15 52.46 -65.69 -39.91 7.21 0.19 92.60 4.17 1.14 2.46 90.15 1.90 0.01 0.12 0.04 39 K H H 113.90 4.85 16.62 22.19 93.09 51.95 -65.58 -39.65 6.21 0.15 93.64 3.14 1.03 2.46 91.60 1.64 0.01 0.09 0.04 40 A H H 58.53 3.24 17.61 20.97 93.12 51.31 -65.72 -40.23 6.19 0.16 93.66 3.03 0.97 2.55 91.65 1.66 0.01 0.09 0.04 41 A H H 46.66 6.93 16.11 24.14 93.04 50.16 -66.33 -39.73 7.56 0.20 92.24 3.67 1.11 3.24 89.67 2.11 0.01 0.13 0.05 42 I H H 68.54 9.38 15.02 25.28 92.91 51.75 -65.93 -39.18 9.16 0.22 90.62 3.73 1.42 4.47 87.38 2.78 0.02 0.13 0.06 43 A H H 64.24 4.10 16.95 21.73 93.00 54.60 -67.40 -34.30 20.87 0.30 78.84 5.60 2.62 12.71 75.73 3.03 0.04 0.17 0.12 44 A H H 66.04 3.91 16.63 21.04 95.49 53.56 -74.62 -26.22 30.86 0.40 68.74 8.23 4.59 18.80 64.66 3.27 0.05 0.20 0.20 45 I H H 71.05 9.39 13.26 23.58 97.86 60.92 -71.69 -38.72 30.05 0.69 69.26 18.82 7.21 6.08 61.98 5.31 0.01 0.35 0.24 46 P H H 72.23 6.59 14.78 22.50 95.62 53.57 -66.39 -34.39 28.51 1.01 70.48 20.68 3.19 6.00 61.04 8.10 0.01 0.71 0.25 47 A H H 69.39 4.06 15.02 20.07 95.89 53.12 -70.27 -32.46 25.08 1.24 73.68 15.31 3.98 7.36 60.66 11.47 0.03 0.82 0.37 48 A H H 65.04 5.61 14.45 21.11 96.79 54.61 -74.86 -26.39 32.92 1.44 65.64 20.40 5.37 9.00 55.30 8.55 0.03 0.84 0.51 49 I C H 93.99 7.39 13.50 21.85 102.16 52.26 -85.99 -12.94 49.71 1.99 48.30 30.08 8.53 12.82 40.76 5.95 0.04 1.00 0.81 50 A C C 59.79 6.71 13.51 21.56 105.63 73.05 -82.01 61.99 61.24 1.50 37.26 38.44 12.16 10.71 32.81 4.50 0.02 0.65 0.70 51 T C H 77.52 5.32 14.65 21.30 114.51 42.32 -88.17 136.03 56.84 0.87 42.30 37.37 12.98 6.56 38.09 4.27 0.01 0.37 0.36 52 P H H 73.04 6.79 14.54 22.55 105.65 -104.85 -67.27 141.24 48.66 1.14 50.20 36.58 5.16 7.32 43.22 6.69 0.00 0.67 0.37 53 A H H 54.12 8.55 13.47 23.01 101.30 -113.64 -71.23 -22.98 38.49 2.49 59.02 27.55 5.06 7.04 48.91 9.09 0.02 1.67 0.66 54 F H H 123.52 4.99 14.77 20.77 98.94 60.94 -72.37 -28.64 33.48 3.99 62.53 22.91 5.63 6.93 51.52 9.23 0.04 2.75 1.00 55 A H H 62.02 4.30 15.43 20.56 96.19 60.19 -71.19 -31.24 41.15 3.01 55.84 28.43 6.18 7.95 47.74 6.91 0.02 1.94 0.82 56 M H H 75.98 9.35 13.08 23.31 96.21 58.65 -74.22 -29.35 43.88 1.86 54.25 30.68 6.16 8.04 48.50 4.94 0.01 1.08 0.59 57 D H H 78.73 6.52 14.40 22.01 93.36 62.86 -65.70 -38.86 23.24 0.62 76.14 15.06 4.31 5.44 71.15 3.49 0.01 0.33 0.20 58 S H H 65.90 2.38 16.51 18.76 93.43 53.84 -66.19 -38.68 15.25 0.52 84.23 7.70 2.91 6.10 77.87 4.90 0.03 0.33 0.16 59 I H H 75.43 6.32 14.63 22.32 93.28 50.75 -66.93 -39.64 11.13 0.76 88.10 5.39 1.99 4.86 80.99 5.98 0.03 0.60 0.16 60 V H H 54.69 11.00 12.06 23.89 93.37 51.17 -67.44 -37.50 10.50 0.63 88.87 4.51 1.88 4.91 80.47 7.58 0.03 0.46 0.16 61 E H H 131.60 2.77 15.33 18.97 93.57 56.87 -69.18 -27.35 24.73 0.63 74.64 5.42 3.56 16.31 67.59 6.39 0.12 0.36 0.26 62 A C H 75.55 2.61 14.36 17.53 96.52 54.70 -86.12 -7.95 51.92 0.62 47.47 8.12 7.40 36.38 41.76 5.60 0.09 0.29 0.37 63 L C S 63.09 11.20 8.66 20.47 113.66 105.44 -77.19 137.92 92.88 0.69 6.43 41.81 47.07 4.00 4.98 1.40 0.00 0.21 0.53 64 P C C 88.09 3.96 12.75 18.00 105.88 -107.17 -67.82 121.52 86.37 0.87 12.75 63.32 7.94 15.04 6.00 6.73 0.00 0.46 0.52 65 T C C 89.98 4.68 10.86 16.90 106.36 59.43 -90.41 44.44 77.83 2.73 19.44 41.71 15.22 21.22 8.52 10.53 0.01 1.26 1.53 66 Q C C 125.51 3.32 11.31 16.04 103.89 80.64 -84.48 21.62 73.37 3.16 23.47 34.80 20.84 18.46 11.69 11.05 0.02 1.58 1.56 67 T C C 85.06 4.39 10.83 16.79 107.75 107.48 -91.19 99.33 70.97 4.09 24.94 41.27 15.46 14.44 14.27 10.56 0.02 2.27 1.72 68 L C C 103.95 5.12 10.35 17.06 102.39 86.58 -82.43 5.51 57.35 4.16 38.49 27.34 13.78 17.27 22.65 14.84 0.08 2.46 1.60 69 S C H 72.31 3.73 12.22 17.34 102.98 66.72 -79.67 6.56 53.98 2.78 43.25 25.57 11.01 17.79 26.16 16.70 0.07 1.54 1.17 70 L H H 99.86 5.93 10.83 18.27 104.44 56.21 -82.22 33.81 47.10 3.87 49.04 24.64 10.34 12.73 31.65 16.93 0.09 2.25 1.37 71 E H H 122.33 4.08 13.95 19.33 105.46 96.39 -84.17 51.00 45.96 5.83 48.20 27.26 10.16 9.87 35.59 11.67 0.10 3.67 1.67 72 V C C 62.41 11.13 10.71 22.56 115.07 74.95 -94.82 126.33 52.16 6.27 41.57 34.25 11.65 7.77 33.75 6.89 0.07 3.80 1.83 73 Q C C 97.86 5.04 15.75 21.77 113.14 -140.54 -87.33 141.12 60.50 3.80 35.69 47.46 6.69 6.04 32.54 3.83 0.01 2.11 1.31 74 F H H 115.17 7.69 13.93 22.62 94.34 -128.83 -62.67 -37.84 12.63 0.26 87.11 6.17 2.88 4.32 85.15 1.25 0.01 0.12 0.10 75 G H H 39.79 3.29 17.36 21.00 92.62 52.76 -63.90 -40.28 6.03 0.07 93.90 1.88 0.88 3.27 92.86 1.04 0.01 0.03 0.03 76 A H H 38.42 7.41 16.19 25.06 92.55 51.84 -65.52 -40.85 2.57 0.04 97.39 1.00 0.32 1.27 96.57 0.81 0.00 0.03 0.01 77 Y H H 67.81 12.73 15.89 29.11 92.55 50.86 -64.73 -41.78 0.88 0.03 99.09 0.35 0.10 0.41 98.77 0.33 0.00 0.02 0.00 78 L H H 76.16 6.77 18.94 26.30 92.26 50.27 -63.69 -41.46 0.35 0.00 99.65 0.11 0.04 0.18 99.55 0.12 0.00 0.00 0.00 79 A H H 52.49 4.08 19.72 24.11 91.83 50.86 -64.28 -41.82 0.35 0.00 99.64 0.09 0.03 0.21 99.54 0.13 0.00 0.00 0.00 80 V H H 48.41 10.00 18.10 28.83 92.11 48.98 -65.15 -42.08 0.52 0.01 99.47 0.09 0.04 0.36 99.33 0.17 0.00 0.00 0.00 81 L H H 53.58 11.81 17.69 30.05 92.05 49.35 -64.48 -41.41 0.70 0.01 99.29 0.09 0.05 0.50 99.11 0.24 0.00 0.00 0.00 82 L H H 87.12 5.13 19.28 24.79 92.22 50.12 -65.46 -39.37 1.46 0.00 98.54 0.10 0.08 1.19 97.79 0.83 0.00 0.00 0.00 83 G H H 34.10 5.65 18.14 24.55 92.93 50.98 -67.48 -36.29 7.36 0.01 92.63 0.16 0.21 7.27 90.78 1.56 0.01 0.00 0.00 84 T H H 53.24 10.18 16.86 27.57 96.00 44.57 -76.26 -35.37 29.91 0.02 70.06 0.39 0.89 29.17 67.47 2.03 0.03 0.01 0.02 85 F H H 88.03 9.43 16.87 26.74 95.31 45.01 -74.68 -34.29 21.11 0.07 78.81 0.83 1.52 19.08 76.81 1.61 0.08 0.02 0.06 86 L H H 88.48 4.09 18.94 23.37 92.90 54.88 -64.91 -43.73 8.43 0.08 91.49 2.15 1.57 5.02 87.71 3.45 0.02 0.04 0.05 87 P H H 61.95 5.16 18.18 24.13 92.22 48.57 -65.57 -39.17 6.54 0.08 93.38 2.13 0.59 3.69 90.06 3.45 0.01 0.05 0.03 88 V H H 48.54 9.84 16.84 27.57 92.36 49.87 -66.23 -41.35 2.36 0.05 97.59 0.64 0.25 1.39 94.74 2.91 0.00 0.03 0.01 89 L H H 69.27 7.60 17.69 26.20 92.12 51.96 -63.76 -41.71 0.51 0.01 99.49 0.13 0.04 0.26 99.23 0.33 0.00 0.01 0.00 90 F H H 112.57 3.25 19.42 22.69 92.16 50.30 -65.10 -41.79 0.21 0.00 99.79 0.03 0.01 0.12 99.74 0.10 0.00 0.00 0.00 91 L H H 72.90 6.25 18.33 25.08 92.11 49.42 -64.86 -41.97 0.15 0.00 99.84 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 92 I H H 61.68 8.92 17.37 27.04 92.00 49.00 -64.34 -42.27 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 93 N H H 70.71 5.50 18.28 24.61 91.90 50.01 -64.29 -41.81 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 94 L H H 83.59 3.29 19.14 22.38 91.91 49.66 -64.21 -42.23 0.31 0.00 99.69 0.02 0.01 0.24 99.67 0.06 0.00 0.00 0.00 95 Y H H 95.76 6.40 18.02 24.89 92.06 48.71 -64.94 -42.08 0.61 0.00 99.39 0.04 0.03 0.49 99.33 0.10 0.00 0.00 0.00 96 I H H 63.78 7.71 16.83 25.57 92.04 48.70 -64.86 -42.21 0.85 0.01 99.14 0.12 0.07 0.60 99.05 0.15 0.00 0.00 0.00 97 Q H H 94.74 3.56 18.36 22.32 92.02 50.00 -64.63 -41.12 2.15 0.02 97.83 0.38 0.21 1.44 97.71 0.25 0.00 0.01 0.00 98 T H H 64.16 3.20 18.16 21.33 91.95 48.88 -65.40 -41.81 3.34 0.03 96.62 0.84 0.44 1.94 96.35 0.40 0.00 0.02 0.01 99 E H H 80.13 5.21 16.61 22.68 92.19 49.29 -65.21 -41.19 3.49 0.04 96.47 0.87 0.50 1.98 95.94 0.68 0.01 0.02 0.01 100 S H H 40.21 6.09 14.09 22.06 92.22 51.12 -64.64 -40.52 6.06 0.07 93.87 1.73 0.77 3.48 92.57 1.37 0.01 0.04 0.02 101 R H H 139.41 2.24 15.42 17.99 92.12 50.09 -65.91 -39.74 8.30 0.09 91.62 1.88 1.12 5.26 89.90 1.74 0.02 0.05 0.03 102 K H H 134.28 1.86 14.90 16.71 92.67 49.82 -67.83 -35.85 14.52 0.16 85.32 2.90 2.26 9.54 83.38 1.73 0.04 0.07 0.07 103 A H H 60.37 4.29 11.99 17.76 94.45 53.72 -73.88 -21.82 40.27 0.40 59.33 5.95 5.97 28.49 56.68 2.42 0.08 0.15 0.25 104 G C T 50.23 3.20 13.06 17.41 99.92 -66.57 54.62 -3.81 65.52 0.65 33.83 13.77 9.89 41.81 29.41 4.40 0.03 0.26 0.42 105 R C C 152.41 3.31 11.33 16.05 102.66 89.04 -82.12 -11.48 71.16 1.75 27.09 28.40 19.45 24.49 17.92 7.86 0.04 0.71 1.12 106 D C T 106.34 2.67 11.69 15.62 105.31 65.12 -86.59 39.62 77.51 1.59 20.90 24.86 19.58 34.01 10.44 9.37 0.02 0.69 1.03 107 G C T 49.65 3.76 11.99 17.19 105.98 -8.30 75.16 3.85 84.82 1.15 14.03 24.69 22.50 38.61 4.48 8.45 0.01 0.52 0.74 108 G C C 44.01 5.14 10.99 17.64 106.55 -2.44 77.82 4.71 86.47 2.10 11.43 45.13 20.18 21.34 2.78 8.42 0.00 1.00 1.15 109 I C C 106.84 4.94 9.34 15.93 106.03 103.54 -83.69 47.17 79.71 4.79 15.50 47.92 16.87 15.10 4.42 10.90 0.01 2.39 2.39 110 D C C 115.63 1.78 9.73 12.73 103.29 67.32 -86.48 26.43 83.86 2.66 13.48 44.05 17.10 23.03 3.00 10.30 0.00 1.39 1.13 111 S C C 78.22 3.49 7.66 12.93 107.85 115.43 -87.83 110.45 90.23 1.29 8.48 74.02 3.40 13.75 2.11 5.40 0.00 0.77 0.56 112 E C C 146.33 2.06 10.91 14.41 108.48 -148.70 -87.35 115.28 99.87 0.07 0.06 99.66 0.15 0.11 0.02 0.01 0.00 0.03 0.01