# 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 116.57 3.83 11.82 16.86 105.67 53.80 -80.08 83.18 99.95 0.01 0.03 99.91 0.04 0.03 0.01 0.00 0.00 0.00 0.00 1 A C C 72.86 2.87 10.26 14.44 100.68 82.26 -70.78 -33.81 63.63 0.27 36.10 52.50 0.84 8.64 36.46 1.32 0.00 0.11 0.14 2 G H H 48.30 2.25 10.61 13.74 98.49 52.92 -65.06 -37.75 45.81 0.23 53.96 26.96 5.19 12.10 53.75 1.79 0.00 0.08 0.13 3 M H H 121.02 1.79 10.68 13.15 95.09 53.29 -68.16 -37.34 15.03 0.10 84.87 9.18 2.35 3.78 82.72 1.88 0.00 0.04 0.04 4 A H H 63.64 2.17 11.91 14.78 93.74 53.13 -65.63 -40.09 6.63 0.06 93.31 3.84 0.98 2.07 91.63 1.42 0.00 0.03 0.02 5 L H H 93.30 2.42 12.57 15.74 92.70 50.44 -65.94 -40.31 2.88 0.02 97.10 1.31 0.39 1.14 96.27 0.89 0.00 0.01 0.00 6 A H H 55.76 2.73 13.22 16.95 92.05 51.41 -63.94 -41.03 1.49 0.01 98.51 0.59 0.18 0.61 98.23 0.38 0.00 0.00 0.00 7 R H H 136.47 1.79 14.62 16.29 92.15 50.04 -65.38 -40.51 1.29 0.00 98.70 0.40 0.13 0.63 98.56 0.27 0.00 0.00 0.00 8 A H H 56.65 2.65 14.21 17.49 91.96 50.45 -63.98 -41.23 0.98 0.00 99.02 0.27 0.08 0.49 98.95 0.20 0.00 0.00 0.00 9 W H H 141.19 2.97 14.58 18.09 92.05 50.21 -64.32 -41.23 0.50 0.00 99.50 0.11 0.04 0.25 99.47 0.12 0.00 0.00 0.00 10 K H H 120.27 2.18 15.39 17.73 91.87 50.46 -64.50 -40.81 0.59 0.00 99.41 0.10 0.04 0.35 99.41 0.11 0.00 0.00 0.00 11 Q H H 102.05 2.09 15.27 17.31 91.95 50.43 -64.57 -41.29 0.68 0.00 99.32 0.08 0.04 0.44 99.33 0.11 0.00 0.00 0.00 12 M H H 95.52 3.09 15.11 18.54 92.11 49.92 -64.62 -41.17 0.48 0.00 99.52 0.07 0.03 0.27 99.55 0.08 0.00 0.00 0.00 13 S H H 54.21 3.46 14.68 19.05 91.84 51.13 -63.82 -41.06 0.54 0.00 99.46 0.06 0.02 0.35 99.49 0.08 0.00 0.00 0.00 14 W H H 139.75 2.24 15.42 17.75 92.15 50.48 -64.88 -41.17 0.25 0.00 99.75 0.02 0.01 0.16 99.75 0.05 0.00 0.00 0.00 15 F H H 110.08 2.81 15.43 18.67 92.08 50.18 -64.27 -41.98 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 16 Y H H 115.72 4.23 15.13 20.06 92.13 49.21 -64.18 -41.54 0.13 0.00 99.87 0.01 0.01 0.09 99.86 0.04 0.00 0.00 0.00 17 Y H H 121.19 3.22 15.70 19.53 92.30 49.58 -64.72 -41.14 0.18 0.00 99.82 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 18 Q H H 96.94 2.65 16.06 18.99 92.19 50.74 -64.38 -40.97 0.43 0.00 99.57 0.03 0.02 0.32 99.53 0.09 0.00 0.00 0.00 19 Y H H 111.59 4.09 15.46 20.52 92.32 49.51 -65.21 -41.24 0.88 0.00 99.12 0.08 0.05 0.67 98.94 0.25 0.00 0.00 0.00 20 L H H 74.24 5.55 14.55 21.53 92.36 50.72 -65.35 -40.17 1.22 0.00 98.78 0.12 0.08 0.90 98.06 0.83 0.00 0.00 0.00 21 L H H 90.34 3.21 15.61 19.40 92.81 50.74 -66.21 -39.89 2.91 0.01 97.08 0.22 0.17 2.38 95.26 1.96 0.01 0.00 0.00 22 V H H 85.62 2.62 15.48 18.36 93.76 47.04 -69.64 -37.95 8.51 0.02 91.47 0.42 0.51 7.55 89.49 2.00 0.02 0.01 0.01 23 T H H 62.59 5.22 13.43 20.06 95.55 49.74 -73.56 -33.56 24.00 0.21 75.78 2.78 3.17 18.29 70.86 4.57 0.10 0.08 0.14 24 A H H 56.69 4.98 12.84 19.36 94.17 63.38 -64.49 -31.00 29.70 0.71 69.59 7.64 4.06 16.54 40.54 30.40 0.09 0.40 0.32 25 L H G 101.35 3.27 13.33 17.72 94.44 61.81 -68.76 -27.62 30.02 1.18 68.80 7.03 4.06 17.33 32.10 38.28 0.08 0.73 0.39 26 Y H G 139.24 3.95 12.43 17.64 97.80 55.42 -80.82 -18.84 32.99 2.45 64.56 9.65 5.68 16.71 27.54 37.95 0.13 1.59 0.75 27 M C T 109.03 4.64 11.20 17.38 101.34 66.86 -82.76 5.48 54.45 2.67 42.88 20.21 12.17 22.62 19.56 22.60 0.14 1.41 1.27 28 L C C 101.54 4.85 10.29 16.82 109.05 88.00 -87.19 113.05 75.47 2.72 21.81 38.33 20.63 17.44 10.43 10.28 0.04 1.19 1.66 29 E C C 102.83 3.27 11.63 16.29 113.70 -107.46 -85.71 135.16 96.92 0.62 2.45 75.37 20.18 1.33 2.11 0.41 0.00 0.23 0.37 30 P H H 95.18 2.92 10.46 15.07 92.78 -124.48 -58.73 -36.08 25.73 0.14 74.13 7.81 4.73 13.27 71.12 2.91 0.01 0.06 0.09 31 W H H 182.65 0.98 12.79 13.08 92.03 54.78 -65.20 -37.48 14.25 0.05 85.71 2.77 1.79 9.28 83.36 2.74 0.01 0.02 0.03 32 E H H 87.95 3.94 12.20 17.74 92.48 51.03 -66.79 -38.51 5.27 0.03 94.70 1.98 0.66 2.50 92.41 2.41 0.00 0.01 0.01 33 R H H 104.49 6.52 11.90 20.01 92.10 52.85 -64.48 -40.54 1.44 0.01 98.56 0.54 0.19 0.67 97.71 0.90 0.00 0.00 0.00 34 T H H 79.94 1.99 15.09 17.05 91.85 50.23 -64.43 -41.09 0.96 0.00 99.03 0.28 0.10 0.52 98.53 0.57 0.00 0.00 0.00 35 V H H 89.18 1.61 16.10 16.90 92.09 49.28 -64.80 -41.78 1.02 0.00 98.97 0.23 0.09 0.61 98.61 0.45 0.00 0.00 0.00 36 F H H 94.49 4.30 14.54 20.12 92.21 49.12 -64.44 -42.07 0.69 0.00 99.31 0.13 0.06 0.40 99.22 0.19 0.00 0.00 0.00 37 N H H 74.87 4.56 14.72 20.62 91.88 50.40 -64.18 -40.84 0.74 0.00 99.26 0.15 0.05 0.41 99.25 0.13 0.00 0.00 0.00 38 S H H 61.32 2.13 15.73 17.79 91.87 50.68 -64.24 -41.00 0.57 0.00 99.43 0.08 0.03 0.36 99.41 0.12 0.00 0.00 0.00 39 M H H 104.16 2.22 16.01 18.10 92.23 50.04 -65.51 -41.18 0.38 0.00 99.62 0.04 0.02 0.24 99.62 0.08 0.00 0.00 0.00 40 L H H 85.00 3.56 15.20 19.58 92.17 49.95 -64.77 -41.54 0.28 0.00 99.72 0.03 0.01 0.16 99.74 0.05 0.00 0.00 0.00 41 V H H 83.61 2.43 15.66 18.25 91.97 49.48 -64.46 -41.91 0.15 0.00 99.85 0.02 0.00 0.09 99.86 0.03 0.00 0.00 0.00 42 S H H 59.93 2.37 15.30 17.94 91.95 50.48 -64.56 -41.64 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 43 I H H 96.22 2.45 16.03 18.44 92.14 49.12 -65.10 -41.87 0.15 0.00 99.85 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 44 V H H 84.40 2.23 16.45 18.43 92.10 49.00 -64.35 -42.00 0.15 0.00 99.85 0.01 0.00 0.09 99.85 0.03 0.00 0.00 0.00 45 G H H 33.98 3.06 15.06 18.96 91.75 50.68 -63.59 -41.83 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 46 M H H 98.20 3.01 15.44 18.91 91.94 50.19 -64.67 -41.02 0.17 0.00 99.83 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 47 A H H 61.17 2.43 15.77 18.36 91.89 50.56 -63.97 -41.61 0.17 0.00 99.83 0.01 0.00 0.11 99.82 0.06 0.00 0.00 0.00 48 L H H 97.63 1.89 16.40 17.75 92.03 49.27 -65.18 -41.55 0.32 0.00 99.68 0.02 0.01 0.23 99.63 0.11 0.00 0.00 0.00 49 Y H H 120.52 2.88 15.50 18.87 92.21 49.07 -65.32 -41.49 0.58 0.00 99.42 0.05 0.03 0.42 99.32 0.19 0.00 0.00 0.00 50 T H H 64.97 3.79 14.53 19.36 92.03 50.34 -64.75 -40.84 0.98 0.00 99.02 0.07 0.05 0.73 98.80 0.35 0.00 0.00 0.00 51 G H H 38.92 2.56 14.80 17.95 92.01 51.45 -64.85 -39.84 1.41 0.00 98.59 0.06 0.06 1.18 97.70 0.99 0.00 0.00 0.00 52 Y H H 142.02 1.95 15.25 17.00 93.12 48.60 -67.99 -39.39 3.43 0.00 96.57 0.07 0.11 3.35 94.98 1.49 0.00 0.00 0.00 53 V H H 83.70 3.30 14.33 18.37 94.20 46.94 -71.35 -38.51 13.88 0.01 86.11 0.19 0.45 13.83 84.25 1.26 0.01 0.00 0.01 54 F H H 112.11 3.33 13.90 18.11 95.00 47.15 -73.15 -32.53 20.03 0.04 79.94 0.85 1.90 17.33 78.56 1.27 0.03 0.01 0.04 55 M H H 98.18 2.62 14.17 17.53 92.53 55.83 -63.02 -42.64 5.63 0.01 94.36 1.76 0.99 2.65 93.43 1.15 0.00 0.00 0.01 56 P H H 73.46 2.47 14.41 17.43 91.92 50.42 -64.72 -40.10 3.05 0.01 96.94 1.21 0.26 1.38 96.08 1.07 0.00 0.01 0.00 57 Q H H 102.27 2.45 14.64 17.50 92.34 50.91 -65.37 -40.60 0.73 0.00 99.26 0.19 0.06 0.39 98.62 0.74 0.00 0.00 0.00 58 H H H 112.00 2.20 14.64 17.12 92.38 49.89 -64.79 -40.98 0.62 0.00 99.37 0.16 0.05 0.35 99.06 0.38 0.00 0.00 0.00 59 I H H 97.84 1.89 14.77 16.60 91.92 49.31 -64.61 -41.31 0.51 0.00 99.49 0.09 0.03 0.30 99.38 0.18 0.00 0.00 0.00 60 M H H 100.87 2.25 14.37 16.97 92.09 50.58 -64.55 -40.74 0.41 0.00 99.59 0.06 0.02 0.25 99.50 0.17 0.00 0.00 0.00 61 A H H 54.83 2.48 13.84 17.12 91.44 51.12 -64.05 -41.13 0.56 0.00 99.43 0.06 0.03 0.38 99.22 0.32 0.00 0.00 0.00 62 I H H 96.27 1.75 14.25 15.90 91.83 49.77 -64.44 -40.99 0.88 0.00 99.12 0.08 0.04 0.63 98.69 0.56 0.00 0.00 0.00 63 L H H 91.92 1.94 13.26 15.56 91.77 50.68 -64.93 -40.70 1.20 0.00 98.80 0.12 0.07 0.87 97.72 1.23 0.00 0.00 0.00 64 H H H 114.57 1.75 12.79 14.82 92.39 50.70 -65.13 -40.11 3.75 0.01 96.24 0.29 0.20 3.01 93.60 2.88 0.00 0.00 0.00 65 Y H H 139.81 1.50 11.91 13.60 92.71 49.85 -66.35 -39.47 6.74 0.02 93.24 0.64 0.42 5.26 90.03 3.61 0.00 0.01 0.01 66 F H H 130.73 1.55 10.50 12.63 93.69 50.18 -68.67 -35.03 9.49 0.11 90.40 2.40 1.21 5.73 84.88 5.66 0.01 0.06 0.04 67 E H H 126.66 1.68 9.66 12.22 94.10 55.73 -68.63 -33.93 20.53 0.30 79.17 4.64 2.42 13.30 71.20 8.10 0.04 0.17 0.13 68 I H H 132.14 1.00 8.64 10.06 95.56 54.83 -73.38 -27.47 36.44 0.43 63.13 8.36 3.57 24.45 56.61 6.52 0.04 0.23 0.23 69 V C H 117.77 1.22 7.38 9.52 100.48 56.66 -84.30 -7.90 53.99 0.54 45.47 31.55 1.62 20.43 43.03 2.80 0.00 0.23 0.34 70 Q C C 134.23 2.09 9.73 13.26 103.80 81.17 -81.78 63.32 99.97 0.02 0.01 99.93 0.03 0.02 0.01 0.00 0.00 0.01 0.00