# 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 112.65 5.60 12.07 19.08 114.47 -153.49 -91.71 133.27 99.90 0.05 0.05 99.82 0.07 0.05 0.02 0.00 0.00 0.02 0.01 1 A C C 69.49 4.73 9.60 16.04 110.15 -132.81 -76.98 139.90 75.91 0.84 23.25 69.24 1.43 7.09 16.40 4.96 0.00 0.42 0.47 2 S C C 79.39 2.98 10.02 14.53 103.30 -119.62 -77.62 -8.98 63.65 1.11 35.24 39.59 10.66 13.30 22.92 12.38 0.00 0.51 0.64 3 Q C H 128.55 3.05 10.88 15.23 100.10 58.83 -80.39 -6.93 55.90 0.93 43.17 28.72 12.76 14.88 29.17 13.49 0.02 0.40 0.55 4 S C C 61.28 5.69 10.96 18.26 104.39 74.01 -84.30 19.55 56.71 0.83 42.46 33.34 11.03 12.54 31.73 10.49 0.01 0.34 0.52 5 Q H H 108.86 3.86 13.65 18.54 99.61 108.43 -74.85 -22.81 41.01 0.30 58.70 17.77 11.44 11.54 56.65 2.33 0.01 0.10 0.17 6 G H H 30.77 6.64 14.17 22.07 97.49 47.25 -50.59 -46.39 25.77 0.16 74.07 9.29 6.52 10.25 72.10 1.67 0.01 0.05 0.10 7 I H H 81.79 6.43 14.18 21.75 93.34 48.05 -66.54 -38.70 6.57 0.05 93.38 2.88 1.05 2.63 92.41 0.98 0.00 0.02 0.02 8 Q H H 102.97 2.77 16.79 19.72 92.07 51.84 -64.55 -40.35 2.25 0.02 97.73 0.98 0.29 0.91 97.24 0.57 0.00 0.01 0.00 9 Q H H 90.30 4.20 16.82 21.71 92.21 50.37 -65.50 -40.63 1.04 0.01 98.96 0.38 0.11 0.45 98.75 0.30 0.00 0.00 0.00 10 L H H 62.92 9.00 15.38 25.39 92.21 50.73 -64.73 -41.56 0.57 0.00 99.42 0.16 0.05 0.28 99.37 0.15 0.00 0.00 0.00 11 L H H 80.97 4.11 18.37 22.73 91.88 50.45 -64.16 -41.02 0.46 0.00 99.54 0.10 0.03 0.24 99.54 0.09 0.00 0.00 0.00 12 Q H H 95.73 2.24 19.90 21.11 91.86 49.93 -64.47 -41.28 0.40 0.00 99.60 0.07 0.03 0.21 99.63 0.06 0.00 0.00 0.00 13 A H H 30.81 8.33 15.52 25.61 91.88 50.94 -63.94 -41.59 0.35 0.00 99.65 0.06 0.02 0.19 99.68 0.05 0.00 0.00 0.00 14 E H H 85.97 7.68 17.40 25.71 91.73 50.88 -63.74 -40.91 0.33 0.00 99.67 0.05 0.02 0.18 99.71 0.04 0.00 0.00 0.00 15 K H H 127.29 1.68 20.55 20.63 92.05 49.84 -64.70 -41.25 0.43 0.00 99.56 0.06 0.02 0.24 99.62 0.05 0.00 0.00 0.00 16 R H H 120.50 2.91 19.44 21.95 91.97 49.23 -65.32 -41.23 0.58 0.00 99.42 0.07 0.03 0.34 99.49 0.06 0.00 0.00 0.00 17 A H H 27.49 10.32 14.69 26.51 91.90 51.15 -63.66 -41.34 0.63 0.00 99.37 0.10 0.04 0.35 99.44 0.08 0.00 0.00 0.00 18 A H H 53.14 4.54 17.85 22.96 91.45 51.44 -63.77 -40.89 0.49 0.00 99.51 0.07 0.03 0.27 99.57 0.07 0.00 0.00 0.00 19 E H H 118.01 1.42 20.18 19.54 92.14 49.78 -65.20 -41.28 0.49 0.00 99.51 0.06 0.03 0.27 99.57 0.06 0.00 0.00 0.00 20 K H H 98.94 4.89 17.91 23.28 92.36 48.77 -65.68 -41.17 0.59 0.00 99.41 0.09 0.04 0.33 99.47 0.08 0.00 0.00 0.00 21 V H H 52.50 9.05 15.20 25.25 92.27 49.48 -64.70 -41.77 0.59 0.00 99.41 0.11 0.04 0.32 99.43 0.09 0.00 0.00 0.00 22 S H H 57.66 2.42 18.84 20.55 91.57 50.65 -63.68 -41.39 0.70 0.00 99.30 0.12 0.04 0.40 99.33 0.11 0.00 0.00 0.00 23 E H H 101.64 1.86 19.23 19.77 91.86 49.45 -64.74 -41.26 0.71 0.00 99.29 0.09 0.04 0.43 99.30 0.14 0.00 0.00 0.00 24 A H H 32.33 7.56 14.71 24.12 91.95 50.98 -64.15 -41.25 0.84 0.00 99.16 0.12 0.05 0.51 99.16 0.16 0.00 0.00 0.00 25 R H H 120.32 4.99 16.82 22.47 91.96 51.16 -64.31 -40.76 1.13 0.00 98.87 0.18 0.08 0.68 98.88 0.18 0.00 0.00 0.00 26 K H H 126.32 1.36 18.89 18.46 91.96 49.90 -64.82 -41.46 1.35 0.00 98.65 0.23 0.10 0.79 98.69 0.19 0.00 0.00 0.00 27 R H H 123.43 2.50 17.50 19.82 92.30 49.05 -65.22 -41.03 1.47 0.00 98.53 0.29 0.11 0.84 98.54 0.22 0.00 0.00 0.00 28 K H H 84.97 7.13 15.20 23.43 92.02 50.47 -64.31 -40.54 1.28 0.00 98.72 0.25 0.10 0.71 98.70 0.23 0.00 0.00 0.00 29 N H H 79.85 3.38 16.74 20.51 91.93 50.77 -64.37 -40.30 1.86 0.00 98.14 0.36 0.14 1.07 98.15 0.28 0.00 0.00 0.00 30 R H H 138.44 1.39 18.31 18.07 91.91 49.92 -65.12 -41.04 1.58 0.00 98.42 0.30 0.13 0.90 98.45 0.22 0.00 0.00 0.00 31 R H H 117.21 3.65 16.78 20.98 92.32 49.45 -65.02 -41.20 1.13 0.00 98.87 0.29 0.10 0.55 98.92 0.15 0.00 0.00 0.00 32 L H H 69.83 6.86 14.99 22.98 92.19 50.49 -64.37 -41.10 0.80 0.00 99.19 0.23 0.06 0.37 99.19 0.14 0.00 0.00 0.00 33 K H H 121.91 1.95 18.21 19.44 91.84 50.20 -64.39 -41.37 0.64 0.00 99.36 0.13 0.04 0.33 99.39 0.11 0.00 0.00 0.00 34 Q H H 99.88 1.80 18.56 19.15 91.94 49.38 -64.96 -41.40 0.66 0.00 99.34 0.11 0.04 0.37 99.38 0.10 0.00 0.00 0.00 35 A H H 38.79 6.03 15.18 22.90 92.22 50.66 -64.05 -41.20 0.57 0.00 99.43 0.11 0.04 0.28 99.48 0.08 0.00 0.00 0.00 36 K H H 103.09 5.92 16.86 23.43 92.19 50.89 -64.26 -40.87 0.49 0.00 99.51 0.09 0.03 0.25 99.57 0.06 0.00 0.00 0.00 37 E H H 112.71 1.70 19.18 19.44 91.96 49.63 -64.83 -41.48 0.38 0.00 99.62 0.05 0.02 0.20 99.66 0.05 0.00 0.00 0.00 38 E H H 106.15 2.13 18.96 20.24 92.00 49.12 -64.87 -41.06 0.43 0.00 99.57 0.06 0.03 0.23 99.62 0.06 0.00 0.00 0.00 39 A H H 33.73 7.95 14.85 24.48 92.02 50.36 -64.25 -40.89 0.54 0.00 99.46 0.08 0.03 0.30 99.53 0.06 0.00 0.00 0.00 40 Q H H 92.83 4.57 17.60 22.76 91.66 51.15 -63.84 -40.60 0.44 0.00 99.56 0.06 0.02 0.24 99.62 0.05 0.00 0.00 0.00 41 A H H 56.67 1.93 18.38 19.31 91.52 50.78 -63.68 -41.55 0.35 0.00 99.65 0.05 0.02 0.18 99.70 0.05 0.00 0.00 0.00 42 E H H 94.66 3.21 17.87 21.19 91.91 49.51 -64.83 -41.12 0.41 0.00 99.59 0.06 0.02 0.23 99.63 0.05 0.00 0.00 0.00 43 I H H 60.35 7.77 14.93 24.08 92.26 49.59 -64.59 -41.66 0.30 0.00 99.70 0.04 0.02 0.17 99.73 0.05 0.00 0.00 0.00 44 E H H 102.61 2.74 17.68 20.37 91.76 50.75 -64.23 -41.30 0.22 0.00 99.78 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 45 Q H H 105.79 1.55 18.25 18.35 91.84 49.74 -64.74 -41.19 0.43 0.00 99.57 0.03 0.02 0.30 99.58 0.07 0.00 0.00 0.00 46 Y H H 99.31 4.65 15.94 21.66 92.34 49.65 -64.89 -41.72 0.41 0.00 99.59 0.04 0.02 0.26 99.59 0.08 0.00 0.00 0.00 47 R H H 108.67 5.64 15.82 22.43 91.91 51.08 -63.75 -41.16 0.33 0.00 99.67 0.05 0.02 0.19 99.67 0.07 0.00 0.00 0.00 48 L H H 89.52 2.10 17.17 18.78 91.87 50.32 -64.29 -40.66 0.51 0.00 99.49 0.06 0.03 0.32 99.51 0.08 0.00 0.00 0.00 49 Q H H 97.71 1.96 17.49 18.70 91.88 50.05 -65.03 -41.04 0.57 0.00 99.43 0.08 0.04 0.34 99.47 0.08 0.00 0.00 0.00 50 R H H 107.39 4.83 15.53 21.43 92.03 50.06 -65.30 -40.58 0.63 0.00 99.37 0.10 0.04 0.34 99.43 0.08 0.00 0.00 0.00 51 E H H 91.48 4.28 15.46 20.87 91.81 51.20 -64.43 -40.54 0.54 0.00 99.46 0.09 0.03 0.28 99.51 0.08 0.00 0.00 0.00 52 K H H 124.05 1.49 17.43 17.73 92.22 50.12 -65.08 -40.83 0.47 0.00 99.53 0.06 0.03 0.26 99.55 0.09 0.00 0.00 0.00 53 E H H 103.05 2.33 16.85 18.90 92.25 49.65 -65.04 -40.86 0.69 0.00 99.31 0.09 0.04 0.42 99.34 0.12 0.00 0.00 0.00 54 F H H 85.95 5.67 14.31 21.51 92.63 49.50 -65.25 -40.74 0.79 0.00 99.21 0.12 0.05 0.45 99.24 0.13 0.00 0.00 0.00 55 K H H 115.61 3.42 15.86 20.18 92.05 51.83 -63.67 -40.85 0.68 0.00 99.32 0.11 0.05 0.35 99.40 0.10 0.00 0.00 0.00 56 A H H 62.77 1.87 16.82 17.99 92.20 50.53 -64.38 -40.66 1.13 0.00 98.87 0.19 0.07 0.61 98.96 0.16 0.00 0.00 0.00 57 K H H 114.94 2.54 16.48 18.97 92.71 49.27 -66.45 -39.98 1.73 0.00 98.27 0.34 0.14 0.95 98.28 0.28 0.00 0.00 0.00 58 E H H 77.54 6.18 12.95 20.85 93.01 50.83 -65.79 -39.80 2.57 0.01 97.42 0.63 0.26 1.37 97.20 0.52 0.00 0.00 0.00 59 A H H 60.37 3.33 13.54 17.99 92.73 52.64 -65.39 -38.88 4.38 0.02 95.60 1.10 0.44 2.45 94.93 1.04 0.01 0.01 0.01 60 A H H 81.87 1.29 14.01 14.84 93.99 51.29 -68.43 -34.53 7.49 0.03 92.48 1.20 0.72 5.21 91.01 1.82 0.01 0.01 0.01 61 A H H 73.69 2.83 11.92 15.67 97.23 48.71 -77.68 -33.61 13.17 0.05 86.78 1.42 1.35 10.05 85.33 1.78 0.03 0.02 0.03 62 L H H 113.96 3.00 11.04 15.23 101.34 40.74 -91.49 -6.30 33.92 0.24 65.84 4.75 6.06 23.36 63.88 1.67 0.05 0.07 0.17 63 G C T 52.19 2.16 12.21 15.33 110.53 -111.09 72.73 -44.87 93.71 0.50 5.79 32.20 22.68 39.26 3.13 2.20 0.00 0.20 0.32 64 S C C 78.61 3.62 10.27 15.48 111.24 -23.59 -91.47 118.64 92.36 1.06 6.58 51.28 24.84 16.28 3.04 3.35 0.00 0.42 0.80 65 H C C 140.99 2.63 10.61 14.77 106.04 153.83 -95.35 25.44 82.11 0.99 16.89 40.94 25.12 16.38 11.26 5.14 0.00 0.34 0.81 66 G C T 46.92 3.22 12.80 17.04 110.63 21.72 48.73 -140.71 65.08 0.45 34.47 16.81 22.91 26.56 25.15 8.01 0.02 0.16 0.38 67 S H H 79.35 2.66 13.82 17.10 100.46 -6.76 -79.69 -10.94 48.61 0.55 50.84 19.84 12.33 17.90 41.58 7.75 0.03 0.22 0.36 68 C H H 60.45 6.99 11.97 20.38 97.20 72.02 -75.03 -26.51 33.12 0.61 66.27 18.43 6.52 9.74 59.45 5.27 0.02 0.27 0.29 69 S H H 48.16 6.57 13.39 21.58 94.90 63.83 -66.74 -38.60 19.31 0.27 80.42 12.71 3.33 4.27 77.17 2.31 0.00 0.11 0.10 70 S H H 61.46 2.66 16.49 19.12 93.99 53.42 -66.76 -39.63 8.64 0.11 91.25 5.02 1.72 2.47 89.50 1.20 0.00 0.05 0.04 71 E H H 105.04 2.65 16.87 19.44 92.87 51.43 -66.17 -40.73 3.34 0.03 96.63 1.61 0.57 1.22 95.87 0.70 0.00 0.01 0.01 72 V H H 54.73 7.39 14.01 22.99 92.51 50.16 -65.48 -41.49 2.00 0.02 97.98 0.86 0.28 0.79 97.59 0.46 0.00 0.01 0.00 73 E H H 98.52 4.49 16.25 21.75 91.93 51.00 -64.47 -41.02 1.46 0.01 98.53 0.55 0.17 0.62 98.38 0.28 0.00 0.00 0.00 74 K H H 125.16 1.56 18.15 18.48 92.09 50.02 -65.06 -41.14 0.93 0.00 99.07 0.23 0.10 0.44 99.08 0.15 0.00 0.00 0.00 75 E H H 96.61 3.15 17.30 20.61 92.07 49.45 -65.10 -40.69 0.91 0.00 99.09 0.20 0.08 0.45 99.16 0.12 0.00 0.00 0.00 76 T H H 42.29 8.34 14.13 24.10 92.32 50.32 -64.79 -40.88 0.94 0.00 99.06 0.24 0.08 0.43 99.15 0.10 0.00 0.00 0.00 77 Q H H 102.04 2.93 17.45 20.65 91.92 50.86 -64.71 -40.78 0.57 0.00 99.43 0.11 0.04 0.27 99.52 0.06 0.00 0.00 0.00 78 E H H 111.27 1.65 18.41 18.73 92.01 50.16 -64.97 -41.07 0.55 0.00 99.45 0.10 0.03 0.26 99.56 0.05 0.00 0.00 0.00 79 K H H 102.02 5.04 17.07 22.65 92.37 49.91 -65.26 -40.79 0.41 0.00 99.59 0.08 0.03 0.20 99.66 0.04 0.00 0.00 0.00 80 M H H 72.36 7.78 15.14 24.11 91.98 50.52 -64.54 -40.47 0.29 0.00 99.71 0.05 0.02 0.14 99.76 0.04 0.00 0.00 0.00 81 T H H 76.57 2.12 18.53 19.85 91.79 50.71 -64.13 -41.55 0.26 0.00 99.74 0.04 0.01 0.13 99.78 0.03 0.00 0.00 0.00 82 I H H 90.11 2.63 18.27 20.55 91.92 49.76 -64.44 -42.05 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 83 L H H 58.09 8.83 15.31 25.27 92.14 49.66 -64.59 -41.49 0.29 0.00 99.71 0.04 0.02 0.16 99.74 0.04 0.00 0.00 0.00 84 Q H H 89.56 5.19 16.94 22.97 91.70 50.66 -63.62 -41.15 0.40 0.00 99.60 0.05 0.02 0.23 99.64 0.06 0.00 0.00 0.00 85 N H H 87.21 1.69 18.69 18.96 92.00 49.97 -64.64 -41.07 0.71 0.00 99.29 0.07 0.04 0.47 99.31 0.11 0.00 0.00 0.00 86 Y H H 97.09 5.05 16.59 22.65 92.04 49.64 -64.74 -41.25 0.93 0.00 99.07 0.09 0.06 0.64 99.02 0.20 0.00 0.00 0.00 87 F H H 61.24 12.00 12.79 25.63 92.00 51.23 -64.20 -40.79 1.02 0.00 98.98 0.11 0.07 0.70 98.68 0.44 0.00 0.00 0.00 88 E H H 123.11 2.42 16.42 19.23 91.88 51.11 -65.17 -37.30 2.17 0.00 97.83 0.12 0.10 1.79 97.17 0.82 0.00 0.00 0.00 89 Q H H 129.83 1.22 16.90 16.81 92.34 50.76 -69.49 -30.25 11.25 0.00 88.75 0.17 0.39 10.88 87.66 0.89 0.00 0.00 0.00 90 N C T 60.98 8.72 12.31 22.56 101.74 36.82 -110.75 13.66 66.64 0.05 33.31 6.26 3.12 54.36 34.85 1.35 0.00 0.01 0.04 91 R H H 97.64 11.75 12.04 24.43 92.83 106.11 -59.20 -42.16 1.66 0.00 98.34 0.41 0.12 0.85 97.79 0.82 0.00 0.00 0.00 92 D H H 102.72 1.79 17.69 19.15 92.05 52.10 -64.74 -40.00 0.76 0.00 99.23 0.07 0.04 0.54 98.47 0.88 0.00 0.00 0.00 93 E H H 106.64 2.44 18.87 20.75 92.14 49.09 -65.70 -40.82 0.39 0.00 99.61 0.05 0.02 0.25 98.66 1.03 0.00 0.00 0.00 94 V H H 35.24 11.41 15.09 27.77 92.02 49.46 -64.51 -42.81 0.22 0.00 99.78 0.03 0.01 0.13 99.69 0.14 0.00 0.00 0.00 95 L H H 56.19 10.13 16.61 27.68 91.71 50.22 -63.63 -41.49 0.15 0.00 99.85 0.02 0.00 0.09 99.85 0.05 0.00 0.00 0.00 96 D H H 86.25 2.75 19.36 22.02 91.86 50.64 -64.27 -40.88 0.16 0.00 99.84 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 97 N H H 81.68 4.50 18.77 23.60 92.20 49.64 -65.82 -40.59 0.24 0.00 99.76 0.01 0.01 0.18 99.72 0.08 0.00 0.00 0.00 98 L H H 49.47 11.79 16.13 28.49 92.32 50.62 -64.10 -42.18 0.33 0.00 99.67 0.02 0.01 0.23 99.59 0.15 0.00 0.00 0.00 99 L H H 66.11 9.39 16.33 26.57 91.78 50.71 -64.22 -39.47 0.65 0.00 99.35 0.05 0.03 0.48 98.99 0.45 0.00 0.00 0.00 100 A H H 62.09 3.39 17.58 21.45 91.89 53.20 -65.07 -37.51 2.81 0.00 97.18 0.13 0.11 2.56 95.35 1.84 0.00 0.00 0.00 101 F H H 102.57 6.72 16.76 24.04 94.69 48.96 -71.59 -35.75 7.27 0.01 92.72 0.26 0.31 6.88 90.36 2.16 0.01 0.00 0.00 102 V H H 55.80 11.29 14.65 26.26 99.75 38.36 -87.84 -31.83 16.16 0.10 83.75 1.23 1.77 13.42 81.84 1.60 0.07 0.03 0.06 103 C C H 60.17 8.56 12.89 22.55 104.82 46.84 -101.55 10.85 54.33 4.52 41.15 21.98 12.89 21.40 36.48 2.64 0.27 1.53 2.81 104 D C C 85.26 4.58 13.09 19.10 109.87 115.60 -86.13 104.87 86.11 2.94 10.95 40.54 24.55 20.97 8.92 2.33 0.01 1.36 1.32 105 I C S 117.65 4.72 11.15 17.10 99.05 -128.37 -80.19 -8.15 92.70 1.88 5.41 27.97 48.06 16.88 3.59 1.66 0.01 0.83 1.01 106 R C C 162.11 2.35 13.26 16.72 113.54 76.04 -104.24 114.01 97.76 1.45 0.79 54.18 41.34 2.46 0.31 0.41 0.00 0.70 0.59 107 P C C 81.06 7.93 9.15 18.52 110.26 -138.42 -71.23 131.74 95.75 1.27 2.98 70.27 16.91 8.43 0.70 2.44 0.00 0.80 0.46 108 E C C 131.67 2.55 13.83 17.68 119.22 -137.94 -104.56 137.44 88.64 7.94 3.42 71.78 12.05 4.49 1.25 2.24 0.00 4.31 3.87 109 I C C 92.67 8.80 9.36 19.37 115.05 -125.27 -85.91 133.85 90.99 7.01 2.00 83.69 6.05 1.22 0.94 0.97 0.00 4.05 3.08 110 H C C 84.39 6.95 9.69 18.57 113.43 -117.53 -77.29 139.98 95.81 2.19 2.00 92.72 2.64 0.94 0.83 0.82 0.00 1.09 0.96 111 E H G 150.88 1.62 11.74 14.26 92.94 -125.38 -62.14 -29.04 42.81 0.38 56.81 4.75 5.05 31.49 3.51 54.81 0.00 0.21 0.17 112 N H G 111.21 2.55 11.49 15.21 94.23 61.93 -76.54 -11.01 44.55 0.34 55.11 4.00 4.86 33.98 3.32 53.49 0.00 0.19 0.16 113 Y H G 104.69 9.03 9.02 18.95 101.94 59.51 -97.86 9.77 43.53 2.78 53.69 21.36 8.97 13.30 3.99 49.94 0.01 1.63 0.81 114 R C C 134.07 5.19 10.10 17.25 113.20 108.96 -86.90 126.29 82.11 8.93 8.96 63.24 12.33 6.02 4.60 4.45 0.01 5.12 4.24 115 I C C 112.97 4.91 8.60 15.16 109.22 -162.48 -91.98 103.79 86.27 7.79 5.95 64.36 9.86 11.91 3.09 2.67 0.00 5.36 2.75 116 N C C 128.81 1.54 9.58 12.25 109.52 111.27 -97.30 97.15 95.83 1.96 2.22 81.51 2.34 12.47 0.95 0.76 0.00 1.41 0.56 117 G C C 55.41 2.45 11.47 15.29 110.68 -58.58 91.43 -4.96 99.96 0.03 0.01 99.77 0.15 0.06 0.00 0.00 0.00 0.01 0.00