# 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 110.07 5.70 11.80 18.92 115.55 -159.73 -92.94 136.03 99.89 0.06 0.05 99.81 0.08 0.05 0.02 0.00 0.00 0.02 0.01 1 A C C 72.07 4.09 9.64 15.41 109.00 -125.33 -76.98 129.02 74.73 0.97 24.30 67.05 1.56 7.82 16.96 5.60 0.00 0.50 0.52 2 S C C 80.23 2.78 9.73 13.96 104.27 -109.68 -80.42 5.57 62.81 1.15 36.04 37.53 11.21 14.16 22.65 13.25 0.01 0.53 0.66 3 Q C C 128.17 2.83 10.46 14.64 100.40 56.96 -80.88 -3.42 56.37 0.92 42.71 28.20 13.02 15.66 27.86 14.31 0.02 0.40 0.55 4 S C C 62.88 5.17 10.78 17.61 104.39 77.74 -84.43 21.74 58.06 0.84 41.10 34.26 11.21 12.75 29.96 10.93 0.01 0.34 0.53 5 Q H H 108.57 3.74 13.06 17.92 100.52 107.93 -76.01 -20.01 45.65 0.35 54.00 20.17 12.89 12.16 52.18 2.28 0.01 0.11 0.20 6 G H H 32.38 5.97 13.92 21.15 99.13 48.70 -47.35 -47.27 31.44 0.20 68.36 11.77 8.33 11.28 66.78 1.64 0.01 0.06 0.12 7 I H H 85.99 5.58 13.86 20.76 93.49 48.63 -66.47 -38.68 6.88 0.05 93.07 3.01 1.15 2.70 92.13 0.95 0.00 0.02 0.03 8 Q H H 104.44 2.57 16.33 19.06 92.22 52.03 -64.73 -40.28 2.22 0.02 97.77 0.94 0.28 0.91 97.29 0.57 0.00 0.01 0.00 9 Q H H 92.21 3.77 16.38 20.80 92.19 50.50 -65.50 -40.47 1.03 0.01 98.96 0.37 0.11 0.46 98.72 0.33 0.00 0.00 0.00 10 L H H 67.07 7.99 15.10 24.25 92.21 50.92 -64.69 -41.42 0.51 0.00 99.49 0.13 0.05 0.25 99.42 0.15 0.00 0.00 0.00 11 L H H 82.50 3.68 17.93 21.97 91.86 50.46 -64.39 -41.08 0.38 0.00 99.62 0.08 0.03 0.20 99.62 0.08 0.00 0.00 0.00 12 Q H H 95.77 2.16 19.34 20.53 91.84 49.99 -64.45 -41.27 0.34 0.00 99.66 0.06 0.02 0.19 99.68 0.05 0.00 0.00 0.00 13 A H H 32.70 7.59 15.32 24.74 91.96 50.84 -64.13 -41.54 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 87.23 7.08 17.17 25.09 91.76 50.92 -63.74 -40.93 0.31 0.00 99.69 0.05 0.02 0.17 99.73 0.04 0.00 0.00 0.00 15 K H H 126.69 1.61 20.06 20.05 92.07 49.91 -64.76 -41.23 0.41 0.00 99.59 0.05 0.02 0.23 99.64 0.05 0.00 0.00 0.00 16 R H H 123.17 2.67 19.06 21.26 92.01 49.29 -65.31 -41.10 0.54 0.00 99.46 0.06 0.03 0.32 99.53 0.06 0.00 0.00 0.00 17 A H H 29.51 9.63 14.42 25.71 91.97 51.17 -63.87 -41.30 0.53 0.00 99.47 0.08 0.03 0.29 99.53 0.07 0.00 0.00 0.00 18 A H H 54.74 4.13 17.69 22.44 91.50 51.41 -63.77 -40.90 0.44 0.00 99.56 0.06 0.02 0.24 99.62 0.06 0.00 0.00 0.00 19 E H H 118.32 1.38 19.67 19.07 92.11 49.74 -65.17 -41.25 0.46 0.00 99.54 0.06 0.02 0.26 99.60 0.06 0.00 0.00 0.00 20 K H H 100.36 4.62 17.66 22.77 92.31 49.09 -65.69 -41.08 0.58 0.00 99.42 0.09 0.03 0.32 99.48 0.07 0.00 0.00 0.00 21 V H H 55.47 8.37 15.23 24.73 92.25 49.43 -64.60 -41.68 0.53 0.00 99.47 0.10 0.04 0.28 99.49 0.09 0.00 0.00 0.00 22 A H H 56.42 2.34 18.45 20.24 91.47 50.57 -63.49 -41.41 0.57 0.00 99.43 0.09 0.03 0.32 99.46 0.10 0.00 0.00 0.00 23 D H H 79.70 1.86 18.90 19.53 91.93 49.38 -64.67 -41.11 0.80 0.00 99.20 0.10 0.05 0.49 99.22 0.14 0.00 0.00 0.00 24 A H H 34.26 7.20 14.50 23.50 91.99 51.23 -64.17 -41.03 0.92 0.00 99.08 0.13 0.06 0.55 99.08 0.18 0.00 0.00 0.00 25 R H H 126.43 4.24 16.73 21.68 91.93 51.20 -64.53 -40.59 1.16 0.00 98.84 0.19 0.09 0.68 98.84 0.20 0.00 0.00 0.00 26 K H H 128.67 1.29 18.44 17.95 92.04 49.86 -64.98 -41.02 1.56 0.00 98.44 0.27 0.12 0.93 98.48 0.21 0.00 0.00 0.00 27 R H H 125.39 2.40 17.20 19.38 92.19 49.27 -65.29 -40.85 1.43 0.00 98.57 0.29 0.11 0.80 98.60 0.20 0.00 0.00 0.00 28 K H H 89.14 6.24 15.25 22.58 92.11 50.47 -64.67 -40.47 1.04 0.00 98.96 0.22 0.08 0.55 98.96 0.18 0.00 0.00 0.00 29 A H H 53.17 3.15 16.28 20.09 91.61 51.12 -63.90 -40.82 1.15 0.00 98.85 0.22 0.08 0.64 98.88 0.18 0.00 0.00 0.00 30 R H H 139.24 1.37 17.97 17.77 91.99 49.96 -65.06 -40.95 0.94 0.00 99.06 0.18 0.07 0.51 99.11 0.13 0.00 0.00 0.00 31 R H H 119.99 3.32 16.58 20.35 92.13 49.41 -65.15 -41.02 0.80 0.00 99.19 0.18 0.06 0.41 99.25 0.11 0.00 0.00 0.00 32 L H H 75.21 5.83 15.08 22.02 92.18 50.08 -64.48 -41.20 0.66 0.00 99.34 0.16 0.05 0.33 99.36 0.10 0.00 0.00 0.00 33 K H H 121.63 1.83 17.89 18.94 91.77 50.07 -64.43 -41.30 0.59 0.00 99.41 0.11 0.04 0.31 99.45 0.08 0.00 0.00 0.00 34 Q H H 99.91 1.77 18.20 18.80 91.90 49.53 -65.10 -40.98 0.68 0.00 99.31 0.11 0.04 0.39 99.37 0.09 0.00 0.00 0.00 35 A H H 40.91 5.55 14.97 22.12 92.01 51.11 -64.13 -41.22 0.50 0.00 99.50 0.10 0.03 0.24 99.56 0.06 0.00 0.00 0.00 36 K H H 106.16 5.00 16.78 22.41 92.04 50.76 -64.24 -41.44 0.38 0.00 99.62 0.07 0.02 0.19 99.67 0.05 0.00 0.00 0.00 37 E H H 109.57 1.66 18.83 19.05 91.87 49.68 -64.69 -41.57 0.33 0.00 99.67 0.04 0.02 0.18 99.71 0.04 0.00 0.00 0.00 38 E H H 102.44 2.21 18.44 19.94 91.92 49.43 -64.71 -41.17 0.36 0.00 99.64 0.05 0.02 0.20 99.68 0.05 0.00 0.00 0.00 39 A H H 36.61 6.99 14.71 23.37 91.92 50.49 -64.20 -40.85 0.55 0.00 99.45 0.08 0.03 0.31 99.51 0.06 0.00 0.00 0.00 40 Q H H 95.57 3.92 17.39 21.77 91.64 50.83 -64.11 -40.43 0.61 0.00 99.39 0.08 0.03 0.35 99.47 0.06 0.00 0.00 0.00 41 M H H 101.34 1.69 18.21 18.60 91.78 50.33 -64.38 -41.49 0.39 0.00 99.61 0.06 0.02 0.20 99.67 0.05 0.00 0.00 0.00 42 E H H 96.05 3.08 17.42 20.61 91.97 49.77 -64.73 -41.14 0.45 0.00 99.55 0.07 0.02 0.24 99.60 0.06 0.00 0.00 0.00 43 V H H 56.27 6.65 14.89 22.84 92.08 49.34 -64.47 -41.82 0.35 0.00 99.65 0.05 0.02 0.20 99.68 0.06 0.00 0.00 0.00 44 E H H 99.17 2.59 17.30 19.85 91.69 50.62 -63.89 -41.56 0.26 0.00 99.74 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 45 Q H H 99.66 1.67 17.63 18.13 91.82 50.04 -64.33 -41.22 0.53 0.00 99.47 0.05 0.03 0.37 99.48 0.08 0.00 0.00 0.00 46 Y H H 102.35 4.24 15.64 20.82 92.17 49.82 -64.71 -41.48 0.62 0.00 99.38 0.08 0.04 0.40 99.37 0.11 0.00 0.00 0.00 47 R H H 111.91 5.06 15.35 21.31 91.92 51.32 -64.20 -40.79 0.50 0.00 99.50 0.09 0.03 0.28 99.50 0.09 0.00 0.00 0.00 48 R H H 134.99 1.67 16.98 17.86 91.92 50.20 -64.91 -40.60 0.66 0.00 99.34 0.11 0.04 0.38 99.36 0.10 0.00 0.00 0.00 49 E H H 104.43 1.89 16.96 18.15 91.97 49.94 -64.96 -41.02 0.68 0.00 99.32 0.12 0.05 0.37 99.36 0.10 0.00 0.00 0.00 50 R H H 108.40 4.55 15.10 20.66 92.12 50.16 -65.29 -40.40 0.65 0.00 99.35 0.12 0.05 0.34 99.40 0.09 0.00 0.00 0.00 51 E H H 94.36 3.69 15.28 19.93 91.86 51.18 -64.35 -40.65 0.56 0.00 99.44 0.10 0.04 0.29 99.48 0.09 0.00 0.00 0.00 52 Q H H 108.21 1.48 16.97 17.28 92.13 50.13 -65.08 -40.65 0.54 0.00 99.46 0.08 0.03 0.31 99.48 0.10 0.00 0.00 0.00 53 E H H 103.62 2.25 16.37 18.33 92.24 49.81 -65.00 -40.89 0.81 0.00 99.19 0.12 0.05 0.49 99.20 0.13 0.00 0.00 0.00 54 F H H 89.63 5.02 14.12 20.50 92.55 49.44 -65.28 -40.72 0.93 0.00 99.07 0.17 0.07 0.52 99.09 0.15 0.00 0.00 0.00 55 Q H H 99.60 3.12 15.43 19.30 92.15 51.64 -63.97 -40.80 0.77 0.00 99.23 0.15 0.05 0.39 99.29 0.11 0.00 0.00 0.00 56 S H H 64.03 1.70 16.38 17.25 92.34 50.51 -64.76 -40.54 1.24 0.00 98.76 0.23 0.09 0.68 98.81 0.19 0.00 0.00 0.00 57 K H H 115.08 2.49 15.76 18.24 92.63 49.62 -66.16 -40.04 1.66 0.00 98.33 0.33 0.14 0.91 98.30 0.31 0.00 0.00 0.00 58 Q H H 79.96 5.69 12.65 19.88 93.03 51.46 -65.57 -40.15 2.45 0.01 97.54 0.59 0.25 1.34 97.28 0.53 0.00 0.00 0.00 59 Q H H 110.93 2.33 13.94 16.87 92.97 51.55 -66.03 -39.05 4.55 0.02 95.43 1.15 0.48 2.61 94.69 1.04 0.01 0.01 0.01 60 A H H 79.88 1.35 13.89 14.79 93.87 50.86 -68.18 -36.17 8.17 0.03 91.80 1.29 0.79 5.73 90.51 1.65 0.01 0.01 0.01 61 A H H 69.12 3.43 11.63 16.08 96.41 49.14 -75.21 -32.29 15.52 0.07 84.41 1.86 1.70 11.61 82.98 1.75 0.03 0.02 0.04 62 M H H 122.41 3.12 11.07 15.44 99.56 46.34 -84.31 -11.69 41.07 0.33 58.60 6.22 7.12 27.77 56.59 1.91 0.06 0.11 0.22 63 G C T 52.41 2.36 11.88 15.29 107.08 -111.20 67.47 0.09 90.54 0.59 8.87 31.10 18.19 41.67 5.68 2.74 0.00 0.24 0.37 64 S C C 78.90 3.34 9.77 14.76 107.44 31.57 -89.90 73.43 88.65 1.11 10.24 49.80 21.00 17.92 5.65 4.38 0.00 0.45 0.80 65 Q C C 133.97 2.10 10.44 13.83 105.06 144.93 -91.34 22.85 78.71 0.91 20.39 37.78 23.41 17.80 14.64 5.34 0.00 0.32 0.70 66 G C H 47.39 2.98 12.23 16.19 110.17 13.92 41.82 -128.39 65.62 0.45 33.93 19.00 23.49 24.03 26.97 5.99 0.02 0.16 0.35 67 N H H 110.47 2.64 12.90 16.31 101.36 -10.47 -78.99 -2.15 44.73 0.51 54.76 21.97 10.86 13.16 48.54 4.96 0.02 0.20 0.29 68 L H H 87.96 4.82 12.09 18.47 95.68 69.96 -69.74 -33.84 20.13 0.31 79.55 11.46 3.80 6.08 75.41 2.98 0.01 0.14 0.13 69 S H H 53.51 4.36 13.74 19.53 93.62 56.64 -65.64 -39.58 9.35 0.12 90.53 5.64 1.55 2.70 88.31 1.71 0.00 0.06 0.04 70 A H H 57.26 2.81 15.28 18.60 92.91 52.25 -65.93 -39.63 4.55 0.05 95.40 2.40 0.75 1.52 94.36 0.93 0.00 0.02 0.02 71 E H H 108.91 2.37 15.90 18.29 92.77 51.03 -66.08 -40.49 2.29 0.02 97.69 1.04 0.34 0.85 97.25 0.50 0.00 0.01 0.00 72 V H H 71.29 4.28 14.57 20.11 92.43 49.90 -65.41 -41.47 1.46 0.01 98.53 0.61 0.18 0.57 98.33 0.30 0.00 0.00 0.00 73 E H H 101.18 3.42 15.77 19.95 92.17 50.64 -64.70 -41.00 1.11 0.00 98.88 0.38 0.11 0.48 98.83 0.20 0.00 0.00 0.00 74 Q H H 102.25 1.90 17.16 18.39 91.84 50.31 -64.99 -41.05 0.78 0.00 99.22 0.18 0.07 0.37 99.25 0.12 0.00 0.00 0.00 75 A H H 52.58 2.85 16.34 19.61 91.85 50.29 -64.36 -40.55 0.84 0.00 99.16 0.17 0.07 0.42 99.24 0.10 0.00 0.00 0.00 76 T H H 53.06 5.87 14.43 21.87 92.36 50.39 -65.03 -40.73 1.03 0.00 98.97 0.28 0.08 0.46 99.09 0.10 0.00 0.00 0.00 77 R H H 135.85 2.69 16.45 19.60 91.96 51.10 -64.29 -40.76 0.64 0.00 99.36 0.15 0.05 0.29 99.46 0.06 0.00 0.00 0.00 78 R H H 145.69 1.39 17.56 17.65 92.07 50.27 -65.03 -41.16 0.46 0.00 99.54 0.09 0.03 0.21 99.62 0.05 0.00 0.00 0.00 79 Q H H 99.91 3.13 16.68 20.08 92.30 49.58 -65.29 -40.83 0.46 0.00 99.54 0.09 0.03 0.21 99.61 0.05 0.00 0.00 0.00 80 V H H 64.42 6.12 14.87 22.27 92.15 49.61 -65.06 -41.08 0.38 0.00 99.62 0.07 0.02 0.19 99.66 0.05 0.00 0.00 0.00 81 Q H H 105.98 2.07 17.52 19.16 91.84 50.58 -64.12 -40.93 0.35 0.00 99.65 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 82 G H H 37.94 2.35 17.30 19.41 92.24 50.30 -64.48 -41.46 0.71 0.00 99.29 0.08 0.04 0.44 99.37 0.08 0.00 0.00 0.00 83 M H H 82.83 5.76 15.55 22.36 92.35 49.50 -65.24 -40.80 0.73 0.00 99.27 0.11 0.05 0.42 99.33 0.10 0.00 0.00 0.00 84 Q H H 94.50 4.41 16.45 21.62 91.95 50.61 -64.15 -41.03 0.69 0.00 99.31 0.11 0.05 0.39 99.35 0.10 0.00 0.00 0.00 85 S H H 58.24 1.92 17.95 18.97 91.95 50.58 -63.85 -41.28 1.07 0.00 98.93 0.14 0.08 0.66 98.95 0.16 0.00 0.00 0.00 86 S H H 49.09 3.91 16.40 21.26 92.10 50.43 -64.61 -40.71 1.31 0.00 98.69 0.18 0.09 0.83 98.63 0.27 0.00 0.00 0.00 87 Q H H 65.68 9.30 13.45 23.95 92.15 51.48 -64.44 -40.31 1.28 0.00 98.71 0.16 0.10 0.83 98.48 0.43 0.00 0.00 0.00 88 Q H H 114.35 2.44 16.31 19.02 91.99 51.25 -65.13 -38.13 2.39 0.00 97.61 0.19 0.14 1.82 97.05 0.80 0.00 0.00 0.00 89 R H H 162.81 1.13 17.08 16.79 92.11 51.00 -67.62 -34.13 10.43 0.00 89.56 0.22 0.40 9.91 88.50 0.96 0.01 0.00 0.00 90 N C H 64.78 7.76 12.68 22.07 99.33 42.46 -100.12 1.61 50.15 0.04 49.82 3.13 2.00 42.85 50.57 1.40 0.00 0.01 0.03 91 R H H 103.42 10.00 12.64 23.70 92.36 91.32 -59.89 -41.95 1.59 0.00 98.41 0.37 0.12 0.79 98.13 0.59 0.00 0.00 0.00 92 E H H 124.75 1.91 17.28 18.89 92.07 51.72 -64.58 -40.18 0.69 0.00 99.30 0.09 0.04 0.43 98.84 0.60 0.00 0.00 0.00 93 R H H 136.50 2.05 18.28 19.69 92.13 49.47 -65.66 -40.74 0.43 0.00 99.57 0.06 0.02 0.25 98.94 0.72 0.00 0.00 0.00 94 V H H 45.00 9.16 15.17 25.75 92.09 49.49 -64.56 -42.48 0.19 0.00 99.81 0.03 0.01 0.09 99.77 0.10 0.00 0.00 0.00 95 L H H 64.06 8.70 16.18 25.86 91.83 50.48 -63.63 -41.38 0.13 0.00 99.87 0.02 0.00 0.07 99.88 0.03 0.00 0.00 0.00 96 T H H 80.05 2.59 18.56 20.99 91.94 50.49 -64.40 -40.91 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 97 Q H H 97.63 3.58 18.20 22.06 92.18 49.88 -65.58 -40.87 0.18 0.00 99.82 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 98 L H H 56.81 10.07 15.85 26.66 92.14 49.92 -64.60 -41.88 0.31 0.00 99.69 0.02 0.01 0.22 99.61 0.14 0.00 0.00 0.00 99 L H H 69.50 8.49 15.78 25.25 91.73 50.89 -64.07 -38.85 0.79 0.00 99.20 0.06 0.04 0.61 98.75 0.54 0.00 0.00 0.00 100 G H H 40.93 3.27 16.59 20.49 91.90 53.52 -65.70 -35.92 5.29 0.01 94.70 0.20 0.19 4.90 92.71 2.00 0.01 0.00 0.00 101 M H H 97.98 5.60 16.10 22.37 94.29 50.96 -71.51 -34.60 11.94 0.02 88.05 0.44 0.57 11.00 85.43 2.52 0.02 0.01 0.01 102 V H H 65.45 9.59 14.24 24.25 99.18 40.86 -86.14 -30.88 21.82 0.28 77.90 2.36 3.16 17.01 75.12 1.94 0.12 0.10 0.18 103 C C H 67.27 7.31 12.63 21.12 105.15 43.96 -100.42 16.23 55.72 6.69 37.58 22.91 15.27 19.66 32.77 2.71 0.43 2.23 4.02 104 D C C 86.96 4.43 12.33 18.29 110.64 107.06 -87.66 108.88 85.62 4.67 9.71 47.73 20.63 17.30 7.61 2.41 0.01 2.40 1.91 105 V C S 106.46 4.36 10.73 16.52 99.83 -148.53 -80.38 -5.69 91.44 3.44 5.12 35.56 41.74 14.54 3.16 1.81 0.01 1.67 1.51 106 R C C 166.86 1.96 13.08 15.97 112.47 76.46 -103.86 111.05 96.71 2.57 0.72 53.42 41.01 2.61 0.27 0.42 0.00 1.45 0.82 107 P C C 81.10 7.83 8.90 18.16 113.48 -129.12 -69.56 137.70 96.64 1.80 1.56 73.35 16.28 6.90 0.31 1.39 0.00 1.29 0.46 108 Q C C 127.96 2.34 13.65 17.27 120.24 -156.71 -107.25 140.07 87.69 10.59 1.72 70.72 12.81 3.86 0.55 1.31 0.00 6.53 4.21 109 V C C 88.20 7.58 9.18 18.33 115.84 -125.67 -86.48 133.45 87.88 11.45 0.67 80.87 6.31 0.72 0.30 0.37 0.00 5.94 5.49 110 H C C 86.76 6.40 9.37 17.81 113.75 -113.63 -74.02 140.22 98.66 0.97 0.37 96.30 2.34 0.31 0.12 0.16 0.00 0.47 0.31 111 P C G 112.83 1.58 11.03 13.62 92.32 -122.61 -61.64 -28.70 55.16 0.29 44.55 5.24 4.76 42.70 2.55 44.45 0.00 0.16 0.13 112 N C T 116.82 2.04 10.67 13.72 94.09 62.10 -78.39 -8.75 56.04 0.38 43.59 4.65 4.84 44.18 2.67 43.28 0.00 0.22 0.16 113 Y C G 111.10 8.11 7.89 17.03 103.58 66.86 -93.02 17.40 52.12 3.60 44.29 30.68 10.20 10.94 3.76 41.24 0.00 2.10 1.07 114 R C C 152.66 3.33 9.60 14.96 113.21 121.58 -89.35 127.76 82.59 7.78 9.64 65.33 11.04 6.10 4.40 5.20 0.00 4.82 3.12 115 I C C 113.75 4.11 8.00 13.97 112.06 -157.84 -93.60 121.93 86.66 6.75 6.58 66.52 11.00 9.29 2.98 3.33 0.00 5.26 1.61 116 T C C 107.64 1.91 8.48 12.03 112.25 -151.62 -96.24 118.88 93.76 2.99 3.25 85.97 1.71 6.90 1.37 1.10 0.00 2.19 0.76 117 V C C 106.16 3.85 9.28 14.90 109.68 -156.21 -96.00 105.17 99.95 0.05 0.00 99.91 0.05 0.02 0.00 0.00 0.00 0.02 0.00