# 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 103.73 7.57 11.72 20.40 114.16 -150.22 -90.87 130.85 99.97 0.02 0.01 99.87 0.09 0.02 0.00 0.00 0.00 0.00 0.00 1 N C C 90.79 4.20 12.09 17.69 110.02 -124.71 -84.88 115.30 93.81 0.05 6.14 92.18 0.41 0.81 6.44 0.10 0.00 0.01 0.03 2 P H H 92.10 4.14 10.44 16.51 93.45 -143.98 -61.67 -34.74 15.26 0.03 84.71 5.80 1.69 6.80 84.57 1.12 0.00 0.01 0.02 3 L H H 119.68 1.31 13.52 14.57 92.34 52.81 -65.79 -39.29 5.61 0.01 94.37 1.53 0.67 3.01 93.71 1.06 0.00 0.01 0.01 4 I H H 88.36 3.61 14.18 18.77 92.76 48.35 -66.39 -40.40 1.72 0.01 98.27 0.62 0.21 0.76 97.55 0.85 0.00 0.00 0.00 5 A H H 39.30 8.30 13.07 22.94 91.81 51.56 -63.56 -41.26 1.05 0.00 98.94 0.35 0.10 0.47 98.65 0.42 0.00 0.00 0.00 6 A H H 56.17 3.49 16.89 20.91 91.61 50.63 -63.89 -40.94 0.95 0.00 99.05 0.18 0.07 0.54 98.96 0.25 0.00 0.00 0.00 7 A H H 60.86 2.30 19.04 20.63 91.70 50.23 -64.54 -40.96 0.60 0.00 99.40 0.09 0.04 0.34 99.39 0.14 0.00 0.00 0.00 8 S H H 43.27 8.58 16.69 26.14 92.08 51.25 -65.00 -40.63 0.65 0.00 99.35 0.10 0.04 0.37 99.39 0.11 0.00 0.00 0.00 9 V H H 65.34 9.16 17.78 27.49 91.72 50.23 -64.22 -41.80 0.41 0.00 99.59 0.05 0.02 0.24 99.60 0.09 0.00 0.00 0.00 10 I H H 103.93 2.48 21.83 23.38 91.51 48.80 -64.03 -41.99 0.28 0.00 99.71 0.03 0.01 0.16 99.72 0.07 0.00 0.00 0.00 11 A H H 54.50 3.86 20.98 24.89 91.68 49.04 -64.58 -41.79 0.29 0.00 99.71 0.03 0.01 0.18 99.71 0.07 0.00 0.00 0.00 12 A H H 32.01 11.71 17.55 29.95 91.76 50.49 -64.20 -41.28 0.37 0.00 99.62 0.03 0.01 0.24 99.62 0.09 0.00 0.00 0.00 13 G H H 29.52 8.09 19.18 27.98 91.56 51.23 -63.02 -41.74 0.58 0.00 99.42 0.04 0.02 0.39 99.42 0.13 0.00 0.00 0.00 14 L H H 98.89 2.47 23.15 24.61 91.59 49.46 -64.40 -41.70 0.57 0.00 99.43 0.05 0.02 0.38 99.36 0.19 0.00 0.00 0.00 15 A H H 44.69 7.37 20.19 28.09 91.90 50.22 -64.68 -41.96 0.83 0.00 99.17 0.08 0.04 0.58 98.98 0.32 0.00 0.00 0.00 16 V H H 51.10 12.28 18.62 31.03 91.74 49.80 -64.21 -41.53 1.44 0.00 98.56 0.10 0.07 1.12 98.07 0.63 0.00 0.00 0.00 17 G H H 33.60 5.56 20.36 26.50 91.65 50.91 -63.09 -41.71 3.37 0.00 96.63 0.22 0.16 2.80 95.33 1.48 0.00 0.00 0.00 18 L H H 95.45 3.10 22.05 24.83 91.80 49.17 -65.97 -39.67 4.04 0.01 95.95 0.31 0.25 3.28 91.13 5.01 0.00 0.00 0.00 19 A H H 39.34 11.43 17.03 28.87 92.21 52.38 -67.83 -35.27 9.82 0.02 90.16 0.42 0.44 8.64 81.83 8.64 0.01 0.01 0.01 20 S H H 53.22 9.11 18.21 27.71 92.89 52.39 -71.63 -32.25 35.01 0.04 64.95 1.17 1.45 31.67 57.42 8.20 0.03 0.02 0.04 21 I H H 103.57 3.14 21.67 24.14 94.91 49.80 -74.24 -36.48 25.81 0.11 74.08 2.34 4.13 19.53 70.55 3.25 0.07 0.03 0.09 22 G H H 31.01 6.75 19.17 26.63 93.98 56.50 -62.68 -44.61 15.19 0.10 84.71 5.78 2.92 6.54 80.11 4.55 0.01 0.04 0.05 23 P H H 52.63 10.32 17.37 28.28 92.49 48.53 -64.87 -40.03 8.08 0.03 91.88 1.87 0.95 5.03 87.61 4.50 0.01 0.01 0.02 24 G H H 36.04 4.83 20.18 25.56 92.42 51.42 -64.48 -41.38 4.19 0.02 95.78 1.00 0.53 2.46 92.14 3.84 0.00 0.01 0.01 25 V H H 84.37 3.13 22.29 24.80 92.03 48.43 -65.04 -41.71 2.27 0.02 97.71 0.53 0.30 1.31 96.68 1.16 0.01 0.01 0.01 26 G H H 23.74 9.40 18.31 28.60 92.18 50.56 -64.12 -41.72 1.83 0.01 98.16 0.36 0.19 1.08 97.91 0.44 0.00 0.00 0.00 27 Q H H 78.65 9.49 19.42 29.26 91.75 50.21 -63.85 -40.91 0.83 0.00 99.17 0.12 0.07 0.49 99.15 0.17 0.00 0.00 0.00 28 G H H 37.08 3.77 21.56 25.30 91.73 50.79 -64.04 -42.03 0.72 0.00 99.28 0.10 0.05 0.43 99.30 0.13 0.00 0.00 0.00 29 T H H 75.17 3.64 22.84 25.95 91.82 48.59 -65.19 -41.24 0.72 0.00 99.28 0.09 0.05 0.44 99.31 0.10 0.00 0.00 0.00 30 A H H 34.06 10.47 18.55 29.77 91.98 50.20 -64.47 -41.75 0.58 0.00 99.42 0.07 0.03 0.35 99.46 0.08 0.00 0.00 0.00 31 A H H 47.33 7.04 20.24 28.09 91.47 50.47 -63.72 -41.75 0.52 0.00 99.48 0.06 0.03 0.30 99.54 0.08 0.00 0.00 0.00 32 G H H 35.45 3.25 21.92 24.71 91.63 50.41 -63.76 -41.90 0.54 0.00 99.46 0.05 0.02 0.34 99.51 0.08 0.00 0.00 0.00 33 Q H H 93.37 4.80 21.84 26.66 91.90 49.72 -65.43 -40.84 0.66 0.00 99.34 0.06 0.03 0.43 99.37 0.11 0.00 0.00 0.00 34 A H H 34.76 11.40 17.38 29.55 92.03 51.15 -64.37 -41.61 0.98 0.00 99.02 0.11 0.05 0.62 99.09 0.13 0.00 0.00 0.00 35 V H H 76.70 4.40 20.73 25.26 91.71 49.23 -64.29 -41.93 1.19 0.00 98.81 0.17 0.08 0.72 98.87 0.16 0.00 0.00 0.00 36 E H H 104.07 2.27 21.55 22.45 91.98 49.62 -64.51 -41.48 1.25 0.00 98.75 0.14 0.08 0.82 98.63 0.31 0.00 0.00 0.00 37 G H H 17.24 8.04 15.22 25.47 91.61 51.16 -63.73 -40.66 1.98 0.00 98.01 0.19 0.13 1.45 97.42 0.80 0.00 0.00 0.00 38 I H H 62.22 9.02 13.64 24.11 92.18 50.54 -66.21 -37.36 2.42 0.00 97.58 0.17 0.15 1.93 96.50 1.24 0.00 0.00 0.00 39 A H H 76.78 2.08 15.48 17.83 91.77 53.76 -67.70 -32.00 8.01 0.00 91.98 0.22 0.29 7.48 91.10 0.90 0.00 0.00 0.00 40 R H H 167.69 1.30 14.89 15.65 96.40 43.05 -82.20 -28.85 20.18 0.01 79.80 0.38 1.43 18.04 79.51 0.62 0.01 0.00 0.01 41 Q C C 81.66 5.72 11.12 18.77 113.46 23.89 -133.87 82.73 99.78 0.04 0.18 84.34 15.21 0.23 0.12 0.04 0.00 0.01 0.05 42 P H G 91.78 4.27 11.42 18.05 93.11 -165.19 -61.61 -31.36 14.33 0.03 85.64 1.36 0.87 10.42 5.17 82.16 0.00 0.02 0.00 43 E H G 153.02 0.89 15.57 15.21 91.29 60.32 -71.83 -17.20 12.57 0.03 87.40 0.87 0.75 9.86 5.94 82.56 0.00 0.01 0.00 44 A H G 27.18 10.26 10.98 23.18 94.86 60.95 -83.12 -9.44 9.90 0.04 90.06 3.46 0.96 4.43 12.29 78.83 0.00 0.03 0.00 45 E H H 84.12 11.17 12.62 24.62 92.52 93.53 -59.45 -42.44 4.10 0.01 95.89 0.85 0.38 2.55 92.90 3.33 0.00 0.00 0.00 46 G H H 48.27 1.47 18.78 18.81 91.82 49.90 -63.39 -40.28 2.55 0.00 97.45 0.29 0.18 1.82 95.75 1.95 0.00 0.00 0.00 47 K H H 125.02 2.20 18.97 20.68 91.89 49.57 -65.84 -40.43 1.36 0.00 98.64 0.36 0.13 0.74 97.45 1.31 0.00 0.00 0.00 48 I H H 31.90 15.25 13.63 29.35 92.10 49.18 -65.18 -42.06 0.89 0.01 99.10 0.26 0.09 0.45 98.74 0.45 0.00 0.00 0.00 49 R H H 114.51 7.45 18.37 26.73 91.50 51.72 -62.82 -41.40 0.73 0.00 99.27 0.18 0.07 0.38 99.22 0.16 0.00 0.00 0.00 50 G H H 38.49 1.96 20.74 21.20 91.53 50.02 -63.51 -41.97 1.07 0.00 98.93 0.22 0.08 0.63 98.90 0.16 0.00 0.00 0.00 51 T H H 57.45 6.34 19.23 26.41 92.07 49.01 -65.65 -40.98 0.88 0.00 99.12 0.14 0.06 0.55 99.09 0.16 0.00 0.00 0.00 52 L H H 35.77 15.77 15.14 31.07 91.77 51.10 -63.86 -41.32 0.83 0.00 99.17 0.12 0.05 0.52 99.17 0.14 0.00 0.00 0.00 53 L H H 91.64 4.10 20.36 24.80 91.60 50.20 -63.75 -41.55 0.55 0.00 99.45 0.08 0.03 0.34 99.45 0.10 0.00 0.00 0.00 54 L H H 98.96 1.92 21.75 22.02 91.76 49.58 -64.18 -41.66 0.37 0.00 99.63 0.06 0.02 0.22 99.62 0.08 0.00 0.00 0.00 55 S H H 28.20 11.21 17.22 29.66 91.84 49.93 -64.70 -41.41 0.34 0.00 99.65 0.06 0.02 0.20 99.63 0.09 0.00 0.00 0.00 56 L H H 54.84 12.36 17.44 30.16 91.89 50.77 -63.90 -40.76 0.23 0.00 99.77 0.02 0.01 0.14 99.74 0.08 0.00 0.00 0.00 57 A H H 58.89 2.75 21.14 23.18 91.63 50.91 -63.71 -41.48 0.28 0.00 99.72 0.03 0.01 0.18 99.70 0.08 0.00 0.00 0.00 58 F H H 110.36 3.75 21.30 24.92 92.01 49.04 -65.15 -41.41 0.34 0.00 99.66 0.03 0.01 0.23 99.64 0.08 0.00 0.00 0.00 59 M H H 36.85 15.23 16.31 31.92 91.69 50.50 -64.33 -41.31 0.25 0.00 99.75 0.02 0.01 0.16 99.73 0.07 0.00 0.00 0.00 60 E H H 88.13 7.38 20.20 28.15 91.77 51.73 -63.27 -40.75 0.44 0.00 99.56 0.03 0.01 0.31 99.57 0.08 0.00 0.00 0.00 61 A H H 57.18 2.66 21.93 23.57 91.55 50.83 -64.30 -41.14 0.76 0.00 99.24 0.05 0.03 0.55 99.28 0.10 0.00 0.00 0.00 62 L H H 57.02 10.11 19.19 30.00 92.03 49.95 -65.36 -39.97 0.49 0.00 99.51 0.04 0.02 0.32 99.51 0.09 0.00 0.00 0.00 63 T H H 32.63 15.09 16.88 32.05 92.03 51.57 -64.04 -41.56 0.66 0.00 99.34 0.09 0.04 0.44 99.30 0.13 0.00 0.00 0.00 64 I H H 95.79 2.94 23.02 25.12 91.75 49.32 -64.77 -42.26 0.39 0.00 99.61 0.04 0.02 0.27 99.59 0.08 0.00 0.00 0.00 65 Y H H 118.37 3.40 22.59 25.42 91.78 49.44 -64.35 -42.27 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 66 G H H 10.01 15.56 15.92 32.32 91.67 51.49 -63.29 -42.12 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 67 L H H 75.37 8.18 20.13 28.84 91.87 50.25 -63.92 -41.50 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 68 V H H 86.14 2.21 22.53 23.12 91.70 49.36 -64.22 -42.57 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 69 V H H 55.09 7.88 19.22 28.08 91.91 48.66 -64.71 -42.02 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 70 A H H 23.70 13.66 15.45 29.98 91.60 51.25 -63.47 -41.83 0.22 0.00 99.78 0.01 0.00 0.14 99.77 0.06 0.00 0.00 0.00 71 L H H 87.83 3.41 19.69 23.11 91.75 50.16 -64.09 -41.25 0.34 0.00 99.66 0.02 0.01 0.24 99.59 0.14 0.00 0.00 0.00 72 A H H 55.80 3.13 17.94 21.17 91.72 50.72 -64.56 -41.21 0.63 0.00 99.37 0.04 0.03 0.45 99.03 0.45 0.00 0.00 0.00 73 L H H 57.61 10.29 13.89 25.30 92.25 50.27 -66.13 -38.34 2.39 0.00 97.61 0.14 0.11 1.94 96.27 1.54 0.00 0.00 0.00 74 L H H 85.86 6.86 14.20 22.33 92.40 51.11 -66.53 -35.29 8.09 0.01 91.90 0.44 0.43 6.94 89.81 2.36 0.01 0.00 0.00 75 F H H 155.10 1.29 15.14 15.69 95.40 47.29 -80.54 -22.51 24.89 0.09 75.02 2.66 2.48 19.58 72.63 2.52 0.03 0.03 0.06 76 A H H 61.38 4.98 10.98 17.59 99.63 67.36 -79.79 -16.22 47.52 0.57 51.90 11.27 13.27 24.33 47.85 2.61 0.08 0.18 0.41 77 N C C 81.76 6.16 9.99 17.83 108.60 -86.83 -91.67 103.20 83.43 0.89 15.68 48.57 22.29 12.90 7.90 7.31 0.00 0.35 0.68 78 P C T 96.00 3.76 10.14 15.77 96.41 -163.18 -67.59 -17.70 87.07 0.63 12.30 31.49 15.46 40.86 3.07 8.46 0.00 0.31 0.35 79 F C C 153.77 2.34 10.16 13.80 99.47 62.01 -85.31 -1.55 87.82 1.29 10.89 49.82 4.82 35.01 2.86 6.12 0.00 0.81 0.57 80 V C C 89.04 6.21 10.76 18.44 106.86 92.46 -88.31 72.93 99.88 0.11 0.02 99.78 0.11 0.05 0.00 0.00 0.00 0.05 0.01