# 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 118.46 5.30 13.77 20.62 114.00 -147.36 -94.10 128.68 99.95 0.04 0.01 99.89 0.06 0.02 0.00 0.00 0.00 0.02 0.00 1 I C C 75.32 9.28 10.02 20.69 116.22 -153.82 -97.55 130.18 95.35 0.53 4.12 93.51 0.79 1.25 3.72 0.28 0.00 0.18 0.28 2 P C C 74.84 4.04 13.85 19.27 110.76 -112.13 -66.73 146.32 79.27 0.89 19.84 68.18 3.82 6.90 17.16 3.08 0.00 0.45 0.41 3 L H H 91.15 9.02 11.08 20.91 95.31 -119.94 -65.14 -31.16 46.69 0.75 52.57 25.00 8.37 14.55 43.71 7.60 0.02 0.34 0.41 4 Q H H 115.59 3.44 15.05 19.36 95.05 60.96 -69.37 -32.09 32.74 0.68 66.58 17.11 5.89 11.41 57.17 7.73 0.03 0.34 0.33 5 H H H 105.61 3.92 16.43 20.80 94.27 53.08 -67.59 -38.15 19.57 0.29 80.14 8.31 3.80 8.66 74.07 4.84 0.03 0.14 0.16 6 G H H 18.18 12.66 14.22 27.66 93.52 52.37 -65.09 -39.90 14.59 0.15 85.26 5.52 2.37 7.32 82.28 2.33 0.02 0.06 0.09 7 L H H 64.28 10.52 16.76 27.83 92.37 51.33 -65.80 -39.67 4.52 0.06 95.42 1.52 0.65 2.34 94.19 1.24 0.01 0.03 0.02 8 I H H 92.04 3.26 21.00 23.77 92.19 50.44 -64.49 -42.26 1.61 0.02 98.37 0.48 0.18 0.87 97.83 0.61 0.00 0.01 0.01 9 L H H 70.90 6.86 20.63 27.99 91.61 49.51 -64.62 -42.15 1.10 0.01 98.88 0.29 0.12 0.65 98.55 0.39 0.00 0.01 0.01 10 A H H 18.57 15.84 16.81 33.28 91.55 50.80 -63.81 -41.53 0.71 0.00 99.29 0.15 0.06 0.42 99.21 0.17 0.00 0.00 0.00 11 A H H 45.34 7.70 20.75 29.07 91.61 51.47 -64.04 -40.98 0.32 0.00 99.68 0.04 0.02 0.19 99.67 0.08 0.00 0.00 0.00 12 I H H 88.53 3.88 23.09 26.39 91.61 49.76 -64.04 -42.19 0.15 0.00 99.85 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 13 L H H 44.09 13.97 19.69 33.63 91.68 50.17 -64.26 -41.88 0.12 0.00 99.88 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 14 F H H 61.69 15.48 19.81 34.65 91.59 49.78 -63.83 -41.76 0.19 0.00 99.81 0.01 0.00 0.12 99.82 0.04 0.00 0.00 0.00 15 V H H 78.19 4.40 24.20 28.13 91.71 49.28 -64.55 -42.47 0.21 0.00 99.79 0.01 0.01 0.14 99.80 0.04 0.00 0.00 0.00 16 L H H 74.31 6.00 23.66 29.79 91.49 49.55 -64.49 -42.04 0.16 0.00 99.84 0.01 0.00 0.11 99.82 0.06 0.00 0.00 0.00 17 G H H 7.78 18.41 16.99 35.67 91.69 50.97 -63.65 -42.48 0.26 0.00 99.74 0.01 0.01 0.20 99.66 0.11 0.00 0.00 0.00 18 L H H 66.23 9.48 22.23 31.90 91.48 49.60 -64.00 -41.87 0.43 0.00 99.57 0.02 0.01 0.36 99.38 0.22 0.00 0.00 0.00 19 T H H 69.27 3.32 23.69 26.01 91.50 49.81 -64.23 -41.81 1.00 0.00 99.00 0.05 0.05 0.88 98.34 0.68 0.00 0.00 0.00 20 G H H 13.20 11.98 16.56 30.10 91.58 51.05 -64.12 -40.07 2.91 0.00 97.09 0.11 0.13 2.69 94.90 2.17 0.00 0.00 0.00 21 L H H 45.55 15.04 14.99 30.13 91.85 52.96 -66.70 -35.40 7.47 0.01 92.52 0.25 0.37 6.94 88.85 3.57 0.02 0.00 0.01 22 V H H 96.69 3.76 18.39 22.19 93.42 51.12 -72.33 -26.95 19.60 0.06 80.34 1.10 1.79 16.75 77.41 2.81 0.06 0.02 0.04 23 I H H 106.51 3.02 16.70 19.89 97.92 47.73 -88.94 -14.09 48.27 0.56 51.17 11.20 10.07 28.25 46.77 3.02 0.08 0.17 0.43 24 R C C 95.18 12.19 10.01 22.40 111.87 100.93 -81.59 115.96 92.87 0.76 6.37 74.89 6.35 11.25 5.57 1.09 0.00 0.31 0.53 25 R C C 170.71 2.44 15.62 18.74 99.81 -165.83 -94.27 -12.26 95.96 0.81 3.23 53.35 30.67 12.15 1.81 1.16 0.00 0.31 0.53 26 N C S 72.31 4.69 15.14 21.22 124.08 74.01 -114.87 148.66 94.75 3.76 1.49 44.38 49.11 1.07 1.27 0.21 0.00 0.52 3.44 27 L H H 96.75 7.49 13.53 22.41 92.81 -126.39 -60.91 -36.78 3.34 0.01 96.66 0.29 0.67 2.25 96.43 0.35 0.00 0.00 0.01 28 L H H 102.71 3.47 17.10 21.17 91.61 54.60 -63.86 -40.63 1.22 0.00 98.77 0.08 0.08 0.96 98.55 0.34 0.00 0.00 0.00 29 F H H 78.15 8.18 16.97 26.19 91.98 48.12 -67.01 -39.32 0.28 0.00 99.72 0.02 0.02 0.19 99.47 0.30 0.00 0.00 0.00 30 M H H 46.11 14.26 16.23 30.83 91.70 52.53 -63.38 -42.30 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 31 L H H 61.19 10.23 20.74 31.07 91.80 50.12 -64.12 -41.69 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 32 I H H 75.35 6.36 23.37 30.00 91.77 49.74 -64.68 -41.92 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 33 G H H 11.88 13.81 19.82 34.49 91.65 51.55 -63.44 -42.23 0.33 0.00 99.67 0.02 0.01 0.25 99.70 0.03 0.00 0.00 0.00 34 L H H 42.50 14.85 22.13 36.59 91.69 50.21 -63.88 -41.55 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 35 E H H 68.01 11.63 22.73 34.24 91.77 51.19 -64.47 -41.87 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 36 I H H 66.66 8.90 23.99 33.15 92.05 49.18 -64.70 -41.81 0.12 0.00 99.88 0.02 0.00 0.07 99.89 0.02 0.00 0.00 0.00 37 M H H 56.43 13.09 23.12 35.85 91.87 50.06 -64.07 -41.99 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 38 I H H 42.70 15.50 22.60 37.56 91.97 49.04 -64.36 -42.19 0.23 0.00 99.77 0.02 0.01 0.16 99.79 0.03 0.00 0.00 0.00 39 N H H 60.43 10.90 24.27 35.13 92.05 49.90 -64.91 -41.32 0.46 0.00 99.54 0.04 0.02 0.33 99.57 0.05 0.00 0.00 0.00 40 A H H 39.62 8.26 24.68 33.41 91.79 50.65 -64.07 -41.67 0.33 0.00 99.67 0.03 0.01 0.22 99.67 0.07 0.00 0.00 0.00 41 S H H 26.56 13.73 23.48 37.08 91.76 50.59 -63.86 -42.33 0.26 0.00 99.74 0.02 0.01 0.18 99.72 0.07 0.00 0.00 0.00 42 A H H 21.48 16.66 21.96 38.21 91.98 50.96 -63.74 -42.14 0.23 0.00 99.77 0.01 0.01 0.17 99.73 0.08 0.00 0.00 0.00 43 L H H 69.97 8.76 25.47 34.45 91.51 50.30 -63.79 -41.70 0.24 0.00 99.76 0.01 0.01 0.18 99.68 0.12 0.00 0.00 0.00 44 A H H 38.53 9.37 24.12 33.77 91.68 50.99 -64.02 -41.88 0.38 0.00 99.62 0.02 0.01 0.32 99.47 0.18 0.00 0.00 0.00 45 F H H 54.30 15.64 22.42 37.23 91.84 49.42 -64.55 -42.07 0.66 0.00 99.34 0.03 0.03 0.55 99.04 0.35 0.00 0.00 0.00 46 V H H 46.55 13.99 21.94 35.48 91.80 49.35 -64.34 -42.33 1.55 0.00 98.45 0.09 0.08 1.27 97.98 0.57 0.00 0.00 0.00 47 V H H 67.10 6.16 24.20 30.55 91.88 48.68 -64.24 -42.09 4.49 0.01 95.50 0.30 0.31 3.64 94.67 1.06 0.01 0.00 0.00 48 A H H 32.75 8.62 20.85 30.13 92.11 50.26 -64.82 -41.10 9.33 0.04 90.63 0.95 1.01 7.07 88.04 2.86 0.03 0.02 0.02 49 G H H 10.58 14.20 15.01 30.45 91.96 52.20 -64.42 -39.13 15.86 0.09 84.05 2.62 1.89 10.96 74.89 9.50 0.04 0.04 0.05 50 S H H 54.27 8.10 16.51 25.38 92.75 52.70 -66.39 -35.82 19.57 0.11 80.32 2.65 2.18 13.80 66.81 14.38 0.06 0.06 0.07 51 Y H H 155.45 2.73 17.26 20.34 93.90 49.12 -71.42 -31.93 27.25 0.19 72.56 2.93 3.63 19.88 60.80 12.41 0.12 0.09 0.13 52 W C T 146.20 4.83 14.19 20.06 97.42 40.44 -94.09 -3.00 60.44 0.33 39.23 5.40 9.89 44.41 31.85 7.93 0.05 0.13 0.33 53 G C T 52.17 3.95 14.96 20.12 96.91 -113.99 72.77 20.31 98.04 0.12 1.84 29.03 8.10 61.26 0.86 0.62 0.00 0.05 0.07 54 Q C C 78.76 8.37 12.22 22.13 113.72 150.74 -86.31 120.03 97.04 0.31 2.65 85.84 9.10 2.17 1.77 0.72 0.00 0.09 0.31 55 T C T 91.24 4.76 16.37 21.88 95.50 -144.66 -65.54 -30.20 59.35 0.27 40.38 16.13 9.47 34.08 26.07 13.89 0.01 0.12 0.24 56 D C H 86.63 5.14 18.64 24.18 95.65 56.26 -75.19 -20.32 51.83 0.25 47.92 11.71 6.38 33.48 35.55 12.54 0.02 0.11 0.22 57 G H H 9.73 16.95 13.58 30.83 93.79 66.28 -66.68 -29.83 31.59 0.24 68.17 15.41 4.62 11.66 56.12 11.92 0.01 0.11 0.14 58 Q H H 76.67 10.28 18.96 29.47 92.74 68.65 -64.00 -39.79 9.95 0.08 89.97 4.74 1.56 3.99 86.68 2.95 0.00 0.04 0.04 59 V H H 74.70 5.17 21.32 26.07 92.37 51.09 -65.35 -41.39 2.44 0.02 97.55 0.80 0.29 1.22 96.37 1.31 0.00 0.01 0.00 60 M H H 70.57 9.58 20.03 30.01 91.92 50.60 -65.03 -41.34 0.99 0.01 99.00 0.27 0.09 0.53 98.42 0.69 0.00 0.00 0.00 61 Y H H 52.44 16.26 17.46 33.40 92.31 50.20 -64.88 -41.83 0.41 0.00 99.59 0.09 0.03 0.22 99.38 0.28 0.00 0.00 0.00 62 I H H 77.79 7.79 21.39 29.35 91.87 49.75 -64.19 -42.15 0.19 0.00 99.81 0.03 0.01 0.11 99.74 0.11 0.00 0.00 0.00 63 L H H 83.05 5.10 22.69 27.63 91.84 49.25 -64.40 -41.92 0.16 0.00 99.84 0.02 0.01 0.10 99.81 0.06 0.00 0.00 0.00 64 A H H 24.86 13.91 19.11 33.42 92.07 50.16 -64.55 -41.91 0.18 0.00 99.82 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 65 I H H 56.37 13.45 20.68 33.77 92.29 48.59 -64.84 -41.75 0.24 0.00 99.75 0.02 0.01 0.16 99.75 0.05 0.00 0.00 0.00 66 S H H 53.71 5.48 23.18 28.38 91.84 49.87 -64.28 -41.95 0.43 0.00 99.57 0.05 0.02 0.27 99.59 0.06 0.00 0.00 0.00 67 L H H 72.76 7.03 23.36 30.53 91.88 49.09 -65.09 -41.64 0.28 0.00 99.72 0.03 0.02 0.17 99.74 0.05 0.00 0.00 0.00 68 A H H 20.47 15.17 19.24 34.70 91.97 51.74 -63.41 -42.20 0.24 0.00 99.76 0.02 0.01 0.14 99.77 0.05 0.00 0.00 0.00 69 A H H 45.64 8.17 22.79 31.33 91.59 49.95 -63.95 -41.67 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 70 A H H 51.08 4.63 23.69 28.15 91.48 50.11 -64.16 -42.34 0.18 0.00 99.82 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 71 E H H 67.03 10.64 22.13 32.68 91.91 49.74 -64.52 -41.23 0.27 0.00 99.73 0.02 0.01 0.20 99.71 0.07 0.00 0.00 0.00 72 A H H 30.15 13.24 19.80 33.16 91.65 50.66 -63.63 -41.48 0.59 0.00 99.40 0.04 0.02 0.44 99.40 0.09 0.00 0.00 0.00 73 S H H 54.64 5.25 22.84 28.01 91.88 50.49 -64.54 -41.45 1.07 0.00 98.93 0.10 0.05 0.78 98.95 0.13 0.00 0.00 0.00 74 I H H 84.58 4.99 23.24 28.10 91.80 49.28 -64.50 -42.12 0.60 0.00 99.40 0.05 0.03 0.42 99.40 0.10 0.00 0.00 0.00 75 G H H 17.29 12.09 18.60 31.30 91.68 51.22 -63.29 -42.29 0.41 0.00 99.59 0.05 0.02 0.25 99.61 0.07 0.00 0.00 0.00 76 L H H 70.97 7.73 20.88 29.09 91.94 50.37 -64.42 -41.65 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 77 A H H 50.13 4.38 20.89 25.37 91.65 50.58 -63.66 -42.11 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 78 L H H 69.45 6.97 19.72 27.31 91.74 49.96 -64.75 -41.62 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 79 L H H 61.39 9.43 18.09 28.14 91.63 50.68 -64.12 -41.64 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 80 L H H 78.40 4.60 19.05 24.15 91.55 50.18 -64.00 -41.42 0.21 0.00 99.79 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 81 Q H H 83.38 4.03 18.36 22.79 91.55 49.97 -64.30 -40.65 0.46 0.00 99.54 0.04 0.02 0.30 99.53 0.11 0.00 0.00 0.00 82 L H H 57.08 6.99 15.79 24.28 91.79 50.77 -64.25 -41.55 0.83 0.00 99.16 0.09 0.05 0.54 99.07 0.26 0.00 0.00 0.00 83 H H H 83.64 6.08 14.75 22.10 91.90 50.44 -64.48 -40.29 1.60 0.00 98.40 0.25 0.13 1.03 98.01 0.57 0.00 0.00 0.00 84 R H H 135.68 2.73 15.12 18.38 92.47 50.46 -66.28 -38.74 4.07 0.01 95.92 0.54 0.32 2.94 95.02 1.16 0.00 0.01 0.01 85 R H H 139.26 2.88 14.47 18.08 93.18 49.01 -69.73 -34.56 8.72 0.02 91.26 0.93 0.78 6.62 90.28 1.36 0.01 0.01 0.01 86 R H H 127.25 4.91 12.32 18.45 97.41 46.61 -84.51 -16.91 25.23 0.19 74.58 5.28 3.97 16.27 72.34 1.93 0.03 0.07 0.12 87 Q C H 117.66 4.06 11.87 17.36 99.79 72.82 -72.11 -4.39 58.04 0.59 41.37 20.12 8.96 28.74 38.52 3.07 0.02 0.22 0.34 88 N C C 109.24 2.74 12.74 16.45 103.61 68.63 -91.30 14.13 73.32 1.06 25.62 36.43 11.43 25.32 21.78 3.97 0.00 0.45 0.61 89 L C C 89.94 7.12 10.06 18.56 108.15 131.02 -87.15 97.77 80.54 1.67 17.79 44.91 22.98 12.04 15.37 3.07 0.01 0.64 0.98 90 N C C 90.81 4.02 13.69 18.93 106.63 -141.44 -92.96 97.60 89.10 1.01 9.89 78.06 5.27 5.14 8.98 1.53 0.00 0.45 0.58 91 I H H 88.74 7.12 10.91 19.81 94.87 -173.45 -65.89 -33.84 24.66 0.31 75.03 12.40 4.53 9.24 68.10 5.41 0.02 0.15 0.15 92 D H H 101.09 1.69 14.48 16.22 92.79 56.31 -66.08 -37.42 19.25 0.14 80.61 5.29 3.04 11.39 74.36 5.75 0.03 0.07 0.07 93 S H H 53.71 2.96 13.35 17.39 92.36 51.57 -66.99 -39.09 15.98 0.20 83.82 6.03 2.73 7.96 75.93 7.13 0.03 0.11 0.09 94 V H H 58.05 6.01 10.75 18.76 92.56 52.38 -65.86 -40.65 11.68 0.18 88.14 5.28 2.22 4.88 81.36 6.09 0.01 0.10 0.07 95 S H H 61.81 3.10 11.93 16.29 92.59 52.31 -66.14 -38.16 14.60 0.26 85.15 6.25 2.42 6.67 77.34 7.06 0.02 0.15 0.10 96 E H H 136.38 1.22 11.92 13.16 93.37 53.28 -68.39 -33.12 20.99 0.32 78.69 7.27 3.24 11.07 70.36 7.70 0.04 0.17 0.14 97 M H H 125.12 2.67 9.65 13.61 96.01 56.72 -75.72 -22.29 33.18 0.56 66.26 13.09 5.31 16.26 59.76 4.97 0.04 0.26 0.30 98 R C H 163.17 2.48 9.14 13.18 100.69 62.01 -82.38 -2.00 60.36 0.53 39.11 36.45 2.04 20.45 38.71 1.82 0.00 0.20 0.33 99 G C C 52.38 2.76 12.49 16.49 108.37 -76.26 74.19 2.39 99.98 0.01 0.01 99.78 0.07 0.13 0.01 0.00 0.00 0.00 0.00