# 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 112.24 5.67 12.05 19.11 114.25 -153.57 -91.17 133.74 99.91 0.04 0.05 99.83 0.07 0.05 0.02 0.00 0.00 0.02 0.01 1 A C C 70.32 4.61 9.68 16.01 110.00 -128.85 -78.29 139.83 78.04 0.87 21.09 71.74 1.40 6.84 14.33 4.78 0.00 0.42 0.49 2 S C C 78.62 3.08 9.99 14.63 103.70 -121.89 -79.42 -1.58 64.94 1.18 33.88 40.48 10.95 13.38 20.87 13.08 0.00 0.55 0.68 3 Q C C 127.77 3.21 10.88 15.41 100.18 43.46 -81.00 -4.11 57.54 0.98 41.48 29.32 13.09 15.53 26.63 14.41 0.02 0.43 0.59 4 S C C 61.68 5.75 11.08 18.43 104.58 76.56 -85.23 19.77 58.43 0.92 40.65 33.92 11.58 13.09 29.11 11.33 0.01 0.38 0.59 5 Q H H 106.64 4.13 13.55 18.78 100.04 114.29 -75.69 -21.28 46.40 0.36 53.24 20.54 13.75 11.79 51.19 2.40 0.01 0.12 0.21 6 G H H 31.05 6.67 14.24 22.12 98.19 50.89 -54.79 -46.57 29.77 0.19 70.03 10.85 8.21 10.79 68.32 1.64 0.01 0.06 0.12 7 I H H 82.39 6.56 14.17 21.86 93.34 48.32 -66.48 -38.66 6.93 0.05 93.02 3.07 1.15 2.70 92.07 0.95 0.00 0.02 0.03 8 Q H H 103.28 2.77 16.85 19.75 92.13 51.86 -64.65 -40.25 2.23 0.02 97.76 0.97 0.29 0.90 97.25 0.58 0.00 0.01 0.00 9 Q H H 89.35 4.38 16.82 21.92 92.31 50.40 -65.52 -40.52 1.03 0.01 98.96 0.38 0.11 0.46 98.72 0.33 0.00 0.00 0.00 10 L H H 61.36 9.38 15.33 25.74 92.24 50.83 -64.78 -41.58 0.55 0.00 99.45 0.15 0.05 0.27 99.39 0.15 0.00 0.00 0.00 11 L H H 80.67 4.21 18.47 22.95 91.84 50.55 -64.14 -41.00 0.42 0.00 99.58 0.09 0.03 0.22 99.58 0.08 0.00 0.00 0.00 12 Q H H 95.67 2.25 20.06 21.27 91.86 50.00 -64.50 -41.30 0.36 0.00 99.64 0.06 0.02 0.20 99.67 0.05 0.00 0.00 0.00 13 A H H 29.52 8.65 15.53 25.98 91.94 50.94 -63.98 -41.74 0.33 0.00 99.67 0.05 0.02 0.18 99.70 0.05 0.00 0.00 0.00 14 E H H 84.65 8.01 17.50 26.15 91.73 51.02 -63.76 -40.96 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 126.26 1.70 20.66 20.74 92.04 49.88 -64.74 -41.33 0.47 0.00 99.53 0.06 0.03 0.27 99.59 0.05 0.00 0.00 0.00 16 R H H 120.41 2.96 19.54 22.10 91.94 49.26 -65.34 -41.20 0.65 0.00 99.35 0.09 0.04 0.39 99.42 0.07 0.00 0.00 0.00 17 A H H 26.01 10.73 14.61 26.88 91.94 51.08 -63.81 -41.35 0.66 0.00 99.34 0.11 0.04 0.35 99.41 0.08 0.00 0.00 0.00 18 A H H 53.64 4.60 17.97 23.15 91.50 51.29 -63.87 -40.78 0.52 0.00 99.48 0.07 0.03 0.28 99.54 0.08 0.00 0.00 0.00 19 E H H 117.82 1.40 20.19 19.49 92.17 49.68 -65.31 -41.30 0.52 0.00 99.47 0.07 0.03 0.29 99.54 0.07 0.00 0.00 0.00 20 K H H 98.04 5.07 17.92 23.50 92.36 48.81 -65.84 -41.09 0.68 0.00 99.32 0.10 0.04 0.38 99.38 0.09 0.00 0.00 0.00 21 V H H 50.38 9.57 15.07 25.70 92.32 49.59 -64.78 -41.74 0.64 0.00 99.36 0.12 0.05 0.34 99.38 0.11 0.00 0.00 0.00 22 S H H 57.85 2.43 18.96 20.70 91.57 50.74 -63.65 -41.46 0.72 0.00 99.27 0.13 0.04 0.40 99.30 0.13 0.00 0.00 0.00 23 E H H 101.71 1.85 19.33 19.83 91.82 49.48 -64.73 -41.20 0.81 0.00 99.19 0.11 0.05 0.49 99.18 0.17 0.00 0.00 0.00 24 A H H 30.87 7.99 14.57 24.45 91.99 51.04 -64.08 -41.26 0.96 0.00 99.04 0.14 0.07 0.56 99.02 0.21 0.00 0.00 0.00 25 R H H 120.19 5.06 16.87 22.65 92.01 51.09 -64.40 -40.77 1.40 0.00 98.59 0.24 0.11 0.83 98.57 0.24 0.00 0.00 0.00 26 K H H 126.04 1.33 18.88 18.34 91.98 49.89 -64.92 -41.27 1.91 0.00 98.09 0.34 0.15 1.14 98.12 0.25 0.00 0.00 0.00 27 R H H 123.66 2.51 17.44 19.79 92.33 49.08 -65.28 -40.97 2.01 0.00 97.98 0.42 0.17 1.13 97.99 0.28 0.00 0.00 0.00 28 K H H 82.87 7.43 14.98 23.55 92.12 50.45 -64.68 -40.59 1.52 0.00 98.48 0.34 0.13 0.81 98.45 0.27 0.00 0.00 0.00 29 N H H 80.74 3.30 16.75 20.43 91.97 50.91 -64.48 -40.28 1.89 0.00 98.11 0.41 0.16 1.04 98.10 0.30 0.00 0.00 0.00 30 R H H 139.48 1.36 18.20 17.90 91.92 49.90 -65.17 -41.02 1.52 0.00 98.48 0.32 0.13 0.82 98.50 0.23 0.00 0.00 0.00 31 R H H 117.42 3.68 16.75 21.00 92.35 49.62 -65.13 -41.13 1.12 0.00 98.88 0.29 0.10 0.54 98.92 0.15 0.00 0.00 0.00 32 L H H 69.61 7.04 14.97 23.13 92.26 50.63 -64.45 -41.19 0.81 0.00 99.19 0.23 0.06 0.37 99.20 0.13 0.00 0.00 0.00 33 K H H 120.93 1.94 18.21 19.40 91.84 50.23 -64.38 -41.29 0.68 0.00 99.32 0.14 0.05 0.35 99.36 0.11 0.00 0.00 0.00 34 Q H H 99.53 1.81 18.58 19.18 91.95 49.46 -65.07 -41.42 0.73 0.00 99.27 0.12 0.05 0.41 99.31 0.11 0.00 0.00 0.00 35 A H H 37.84 6.33 15.09 23.13 92.24 50.75 -64.04 -41.31 0.58 0.00 99.42 0.12 0.04 0.29 99.48 0.07 0.00 0.00 0.00 36 K H H 102.20 6.07 16.87 23.61 92.16 50.95 -64.28 -41.11 0.46 0.00 99.54 0.09 0.03 0.23 99.60 0.06 0.00 0.00 0.00 37 E H H 113.18 1.66 19.29 19.42 91.96 49.67 -64.89 -41.57 0.36 0.00 99.64 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 38 E H H 104.93 2.21 18.96 20.39 91.99 49.12 -64.93 -41.08 0.39 0.00 99.61 0.05 0.02 0.21 99.66 0.05 0.00 0.00 0.00 39 A H H 32.63 8.34 14.76 24.78 92.03 50.34 -64.13 -40.97 0.45 0.00 99.55 0.06 0.02 0.24 99.62 0.05 0.00 0.00 0.00 40 Q H H 93.03 4.65 17.72 22.93 91.69 50.95 -63.96 -40.53 0.35 0.00 99.65 0.05 0.02 0.19 99.71 0.04 0.00 0.00 0.00 41 A H H 56.65 1.89 18.50 19.33 91.46 50.69 -63.73 -41.50 0.27 0.00 99.73 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 42 E H H 93.40 3.38 17.88 21.46 91.92 49.50 -64.94 -41.15 0.32 0.00 99.68 0.04 0.02 0.19 99.71 0.05 0.00 0.00 0.00 43 I H H 57.60 8.32 14.79 24.48 92.24 49.68 -64.45 -41.80 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 44 E H H 103.87 2.64 17.87 20.39 91.77 50.69 -64.14 -41.32 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 45 Q H H 105.85 1.54 18.39 18.40 91.87 49.65 -64.87 -41.27 0.40 0.00 99.60 0.03 0.02 0.29 99.61 0.06 0.00 0.00 0.00 46 Y H H 96.68 4.97 15.90 22.04 92.37 49.68 -64.84 -41.82 0.38 0.00 99.62 0.04 0.02 0.24 99.62 0.08 0.00 0.00 0.00 47 R H H 107.26 5.97 15.79 22.72 92.04 51.10 -64.15 -41.08 0.32 0.00 99.68 0.05 0.02 0.19 99.68 0.06 0.00 0.00 0.00 48 L H H 90.21 2.03 17.31 18.74 91.89 50.28 -64.31 -40.66 0.51 0.00 99.49 0.06 0.03 0.31 99.52 0.08 0.00 0.00 0.00 49 Q H H 97.69 1.97 17.54 18.76 91.97 49.92 -64.97 -41.04 0.58 0.00 99.42 0.08 0.04 0.34 99.46 0.08 0.00 0.00 0.00 50 R H H 102.83 5.35 15.30 21.85 92.06 50.11 -65.31 -40.57 0.64 0.00 99.36 0.10 0.04 0.36 99.42 0.08 0.00 0.00 0.00 51 E H H 92.08 4.40 15.56 21.08 91.93 51.35 -64.43 -40.53 0.58 0.00 99.42 0.10 0.03 0.31 99.47 0.09 0.00 0.00 0.00 52 K H H 124.65 1.45 17.53 17.68 92.20 50.11 -65.14 -40.72 0.47 0.00 99.53 0.07 0.03 0.26 99.55 0.09 0.00 0.00 0.00 53 E H H 102.14 2.42 16.89 19.10 92.23 49.76 -65.08 -40.92 0.64 0.00 99.36 0.08 0.03 0.38 99.38 0.12 0.00 0.00 0.00 54 F H H 82.53 6.26 14.16 21.99 92.72 49.71 -65.17 -40.72 0.70 0.00 99.30 0.11 0.04 0.39 99.32 0.13 0.00 0.00 0.00 55 K H H 115.65 3.45 15.95 20.29 91.99 52.05 -63.69 -40.78 0.61 0.00 99.39 0.09 0.04 0.32 99.45 0.09 0.00 0.00 0.00 56 A H H 63.16 1.79 17.04 17.95 92.20 50.51 -64.47 -40.75 1.07 0.00 98.93 0.17 0.07 0.58 99.03 0.15 0.00 0.00 0.00 57 K H H 111.85 2.86 16.41 19.41 92.71 49.18 -66.47 -40.04 1.61 0.00 98.38 0.31 0.13 0.88 98.42 0.26 0.00 0.00 0.00 58 E H H 74.06 6.86 12.69 21.27 92.96 51.15 -65.56 -40.02 2.33 0.01 97.66 0.56 0.23 1.23 97.48 0.48 0.00 0.00 0.00 59 A H H 62.53 3.04 13.92 17.88 92.65 52.34 -65.64 -38.73 4.29 0.02 95.69 1.02 0.41 2.47 95.05 1.02 0.01 0.00 0.01 60 A H H 82.28 1.27 14.23 14.91 94.08 51.18 -68.73 -34.75 7.87 0.02 92.11 1.07 0.72 5.70 90.85 1.62 0.01 0.01 0.01 61 A H H 69.58 3.53 11.61 16.25 97.62 49.77 -78.23 -32.50 14.51 0.06 85.43 1.51 1.54 11.11 84.08 1.68 0.03 0.02 0.04 62 L H H 115.54 2.97 11.13 15.29 101.46 35.27 -89.57 -3.96 37.13 0.28 62.59 5.43 6.70 25.16 60.65 1.73 0.05 0.08 0.19 63 G C T 51.17 2.33 11.99 15.39 110.30 -108.60 74.22 -149.90 92.00 0.58 7.42 31.26 23.32 37.85 4.08 2.87 0.00 0.24 0.38 64 S C C 80.35 3.30 10.30 15.13 108.08 -23.20 -89.06 99.07 90.21 1.13 8.66 47.06 24.15 19.06 4.18 4.26 0.00 0.45 0.84 65 R C C 166.14 2.31 10.56 14.31 105.07 140.78 -92.73 21.48 75.90 0.95 23.16 32.90 25.74 18.10 15.87 6.27 0.01 0.32 0.78 66 G C H 47.66 3.01 12.87 16.77 110.30 15.05 37.65 -131.24 61.04 0.40 38.57 13.93 20.45 27.91 28.74 8.47 0.03 0.14 0.33 67 S H H 75.91 2.87 13.55 17.08 99.89 -0.32 -79.39 -13.97 45.54 0.54 53.92 18.60 10.81 17.56 44.94 7.48 0.04 0.22 0.34 68 C H H 58.52 7.00 11.92 20.44 96.62 70.54 -74.72 -27.97 27.75 0.52 71.73 15.44 5.43 8.37 65.82 4.46 0.02 0.23 0.23 69 S H H 48.19 6.15 13.50 21.31 95.04 65.52 -66.65 -38.91 14.77 0.22 85.01 9.73 2.57 3.36 82.37 1.80 0.00 0.09 0.08 70 T H H 77.87 2.45 16.62 18.84 93.64 53.04 -66.88 -40.07 6.51 0.09 93.39 3.96 1.17 1.82 92.02 0.95 0.00 0.04 0.03 71 E H H 104.61 2.66 16.78 19.41 92.97 50.94 -66.00 -40.94 2.59 0.03 97.38 1.23 0.41 0.96 96.82 0.57 0.00 0.01 0.01 72 V H H 55.84 7.15 14.06 22.83 92.46 50.18 -65.50 -41.37 1.60 0.01 98.39 0.64 0.21 0.65 98.13 0.36 0.00 0.00 0.00 73 E H H 99.20 4.32 16.27 21.59 91.91 50.93 -64.38 -40.90 1.15 0.00 98.85 0.38 0.11 0.51 98.77 0.22 0.00 0.00 0.00 74 K H H 123.56 1.61 18.09 18.52 92.08 49.92 -65.01 -41.08 0.76 0.00 99.24 0.17 0.07 0.37 99.26 0.12 0.00 0.00 0.00 75 E H H 96.33 3.18 17.30 20.67 92.09 49.47 -65.02 -40.71 0.77 0.00 99.23 0.15 0.06 0.38 99.31 0.10 0.00 0.00 0.00 76 T H H 42.11 8.22 14.15 24.08 92.29 50.30 -64.91 -41.09 0.85 0.00 99.15 0.21 0.06 0.39 99.25 0.09 0.00 0.00 0.00 77 Q H H 101.70 2.94 17.50 20.72 91.97 50.75 -64.79 -40.74 0.58 0.00 99.42 0.11 0.04 0.27 99.52 0.06 0.00 0.00 0.00 78 E H H 111.34 1.68 18.38 18.80 92.06 50.14 -64.99 -41.04 0.58 0.00 99.42 0.10 0.04 0.27 99.54 0.05 0.00 0.00 0.00 79 K H H 101.75 4.96 17.06 22.60 92.38 49.92 -65.21 -40.81 0.46 0.00 99.53 0.09 0.03 0.22 99.62 0.05 0.00 0.00 0.00 80 M H H 72.62 7.67 15.13 24.03 92.03 50.48 -64.71 -40.46 0.37 0.00 99.63 0.08 0.02 0.17 99.69 0.04 0.00 0.00 0.00 81 T H H 76.67 2.18 18.45 19.91 91.80 50.67 -64.32 -41.62 0.33 0.00 99.67 0.06 0.02 0.16 99.72 0.04 0.00 0.00 0.00 82 I H H 90.64 2.58 18.27 20.47 91.87 49.72 -64.45 -42.04 0.32 0.00 99.67 0.04 0.02 0.18 99.72 0.04 0.00 0.00 0.00 83 L H H 59.07 8.50 15.38 25.06 92.04 49.70 -64.68 -41.46 0.33 0.00 99.67 0.05 0.02 0.18 99.70 0.05 0.00 0.00 0.00 84 Q H H 87.79 5.36 16.85 23.10 91.84 50.97 -63.81 -41.10 0.38 0.00 99.62 0.05 0.02 0.21 99.66 0.06 0.00 0.00 0.00 85 T H H 72.99 1.80 18.50 19.08 91.97 50.06 -64.31 -41.52 0.54 0.00 99.46 0.05 0.03 0.35 99.47 0.10 0.00 0.00 0.00 86 Y H H 99.52 4.78 16.73 22.46 91.98 49.87 -64.75 -41.22 0.71 0.00 99.29 0.06 0.04 0.48 99.23 0.18 0.00 0.00 0.00 87 F H H 61.75 11.92 12.86 25.64 91.96 51.14 -64.14 -40.74 0.87 0.00 99.13 0.08 0.05 0.62 98.85 0.40 0.00 0.00 0.00 88 R H H 151.83 2.32 16.57 19.28 91.88 51.17 -65.16 -37.57 1.91 0.00 98.09 0.09 0.08 1.61 97.44 0.77 0.00 0.00 0.00 89 Q H H 128.55 1.25 17.04 17.02 92.15 51.73 -68.79 -31.26 10.63 0.00 89.37 0.15 0.35 10.40 88.25 0.84 0.00 0.00 0.00 90 N C T 60.35 8.90 12.48 22.91 101.22 37.25 -109.47 10.17 65.77 0.05 34.19 5.14 2.81 54.86 35.77 1.36 0.00 0.01 0.04 91 R H H 95.57 11.92 12.15 24.69 92.79 105.40 -59.27 -42.22 1.67 0.00 98.33 0.41 0.13 0.85 97.88 0.74 0.00 0.00 0.00 92 D H H 101.41 1.86 17.75 19.31 92.09 52.03 -64.61 -40.07 0.69 0.00 99.31 0.07 0.04 0.46 98.73 0.70 0.00 0.00 0.00 93 E H H 106.91 2.41 18.90 20.72 92.13 49.15 -65.59 -40.76 0.33 0.00 99.67 0.04 0.02 0.20 98.96 0.78 0.00 0.00 0.00 94 V H H 36.09 11.23 15.14 27.68 92.01 49.49 -64.61 -42.82 0.17 0.00 99.83 0.02 0.01 0.10 99.75 0.12 0.00 0.00 0.00 95 L H H 57.26 9.97 16.60 27.55 91.74 49.99 -63.72 -41.39 0.14 0.00 99.86 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 96 D H H 86.57 2.72 19.37 21.97 91.92 50.51 -64.31 -40.87 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 82.07 4.46 18.79 23.60 92.25 49.58 -65.91 -40.37 0.25 0.00 99.75 0.01 0.01 0.19 99.71 0.08 0.00 0.00 0.00 98 L H H 49.97 11.61 16.21 28.44 92.34 50.57 -64.10 -42.19 0.32 0.00 99.68 0.02 0.01 0.22 99.59 0.16 0.00 0.00 0.00 99 L H H 65.68 9.33 16.51 26.75 91.84 50.72 -64.18 -39.55 0.62 0.00 99.38 0.05 0.03 0.45 98.99 0.49 0.00 0.00 0.00 100 A H H 61.15 3.43 17.82 21.71 91.91 52.76 -64.99 -38.32 2.62 0.00 97.38 0.13 0.10 2.32 95.25 2.19 0.00 0.00 0.00 101 F H H 99.59 6.68 16.94 24.25 94.04 49.90 -69.63 -37.65 6.32 0.01 93.67 0.26 0.29 5.83 90.66 2.94 0.01 0.00 0.00 102 V H H 54.42 11.28 14.86 26.50 98.10 41.89 -83.17 -33.31 13.68 0.08 86.24 1.10 1.42 11.30 83.98 2.07 0.06 0.03 0.05 103 C C H 60.60 8.20 13.29 22.65 102.41 45.13 -95.71 -7.30 49.15 3.24 47.60 18.11 10.31 23.01 42.42 2.77 0.23 1.12 2.04 104 D C C 84.18 4.60 13.07 19.13 108.00 101.16 -83.92 89.57 83.94 2.32 13.74 33.50 24.63 25.70 11.71 2.37 0.01 1.04 1.05 105 I C S 118.09 4.46 11.70 17.26 98.28 -66.21 -80.75 -9.92 91.60 1.36 7.04 23.81 46.09 21.84 5.07 1.82 0.01 0.55 0.81 106 R C C 159.02 2.62 13.14 16.96 111.72 70.48 -104.05 105.27 98.07 1.11 0.81 56.23 39.77 2.24 0.36 0.39 0.00 0.45 0.57 107 P C C 80.78 7.83 9.25 18.60 109.05 -143.90 -70.61 126.91 94.46 1.03 4.52 64.39 17.53 12.29 1.00 3.77 0.00 0.60 0.42 108 E C C 131.82 2.60 13.80 17.69 119.13 -141.97 -101.31 136.86 87.10 7.51 5.39 65.20 13.70 7.81 1.72 3.86 0.00 3.93 3.77 109 I C C 91.81 8.95 9.60 19.74 115.32 -127.94 -86.85 133.91 89.57 7.20 3.23 80.11 7.50 1.79 1.49 1.69 0.00 3.95 3.48 110 H C C 82.95 7.35 9.82 19.02 113.60 -116.52 -77.92 140.14 95.18 2.15 2.68 91.47 3.13 1.15 1.10 1.13 0.00 1.05 0.97 111 E H G 149.62 1.70 12.20 14.76 93.01 -124.30 -62.08 -28.48 46.18 0.40 53.42 4.87 5.37 34.54 4.28 50.50 0.00 0.23 0.20 112 N H G 106.26 3.19 11.64 16.15 94.68 61.89 -77.71 -11.17 48.39 0.38 51.23 4.41 5.24 37.15 4.10 48.69 0.00 0.21 0.20 113 Y H G 101.21 9.66 9.21 19.62 102.50 61.46 -96.09 11.27 46.39 3.57 50.04 23.97 9.67 13.28 4.60 45.27 0.01 2.11 1.09 114 R C C 134.06 5.15 10.56 17.62 112.92 109.63 -87.85 124.52 80.94 9.75 9.32 62.43 11.81 6.10 4.99 4.47 0.01 5.69 4.50 115 I C C 110.59 5.32 8.67 15.63 108.51 -160.87 -90.20 99.86 85.81 7.90 6.28 63.67 9.35 12.65 3.40 2.71 0.00 5.52 2.71 116 N C C 127.50 1.67 9.73 12.57 109.04 95.50 -95.23 86.92 95.88 1.66 2.46 79.27 2.52 14.62 1.10 0.82 0.00 1.16 0.51 117 G C C 56.98 2.25 11.79 15.27 105.96 -65.23 81.74 2.27 99.96 0.03 0.01 99.69 0.20 0.09 0.00 0.00 0.00 0.01 0.00