# 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 104.21 5.23 11.92 18.48 104.48 120.68 -79.18 80.36 99.85 0.03 0.12 99.80 0.05 0.06 0.08 0.00 0.00 0.01 0.00 1 L H H 111.92 2.42 10.67 14.32 95.02 88.24 -67.14 -37.12 39.73 0.27 60.00 35.63 0.84 3.68 58.48 1.15 0.00 0.10 0.12 2 L H H 115.53 1.41 11.69 13.28 93.17 54.42 -66.55 -37.84 17.16 0.16 82.68 10.96 2.13 4.50 80.52 1.75 0.00 0.07 0.07 3 V H H 75.31 4.33 11.48 17.22 93.00 51.05 -66.48 -39.45 9.10 0.11 90.78 5.64 1.20 2.77 88.26 2.02 0.00 0.06 0.04 4 K H H 108.89 4.22 13.46 19.03 92.35 52.33 -65.61 -40.28 4.91 0.05 95.03 2.54 0.72 1.85 93.21 1.64 0.00 0.03 0.02 5 A H H 58.77 2.23 15.07 17.48 91.98 51.02 -64.45 -41.44 4.01 0.02 95.97 1.70 0.53 1.73 95.10 0.91 0.00 0.01 0.01 6 V H H 77.68 3.01 15.92 19.37 92.18 49.98 -65.15 -40.53 2.10 0.01 97.89 0.72 0.23 0.98 97.51 0.55 0.00 0.00 0.00 7 K H H 91.34 7.74 14.80 23.60 92.22 51.52 -64.81 -40.70 1.85 0.01 98.14 0.47 0.17 1.06 97.73 0.56 0.00 0.00 0.00 8 V H H 79.86 4.32 16.70 21.96 92.07 49.99 -65.03 -41.39 1.68 0.01 98.31 0.34 0.15 1.05 97.87 0.59 0.00 0.00 0.00 9 L H H 103.79 1.77 19.07 19.67 92.18 49.40 -64.89 -41.93 1.87 0.01 98.12 0.36 0.18 1.19 97.56 0.70 0.00 0.00 0.00 10 V H H 67.56 5.83 17.08 23.80 92.44 49.10 -65.46 -41.09 3.07 0.01 96.92 0.44 0.25 2.17 95.96 1.17 0.01 0.01 0.00 11 M H H 70.61 9.78 16.00 26.62 92.14 50.99 -64.32 -40.42 3.49 0.01 96.50 0.43 0.29 2.53 94.60 2.13 0.01 0.00 0.00 12 G H H 37.60 4.08 18.21 22.84 92.17 51.71 -63.80 -40.02 5.47 0.01 94.52 0.54 0.37 4.26 89.75 5.06 0.01 0.01 0.01 13 G H H 42.60 3.11 19.24 22.28 92.37 49.12 -68.08 -34.40 11.73 0.03 88.24 0.78 0.68 9.81 80.07 8.62 0.02 0.01 0.02 14 C H H 47.01 11.49 15.49 27.48 93.58 54.43 -71.97 -31.85 30.09 0.10 69.81 1.85 2.17 25.09 62.09 8.60 0.07 0.05 0.07 15 M H H 85.80 8.52 17.78 26.82 93.30 54.77 -70.33 -33.98 31.25 0.24 68.52 4.92 3.34 22.88 63.10 5.41 0.07 0.10 0.17 16 L H H 96.57 2.71 20.87 22.99 92.02 55.52 -63.42 -42.46 6.06 0.03 93.91 1.59 0.79 3.53 90.08 3.97 0.01 0.02 0.01 17 P H H 54.90 7.70 17.82 26.57 92.03 50.35 -64.74 -40.82 4.08 0.02 95.90 0.76 0.36 2.68 91.08 5.11 0.00 0.01 0.01 18 I H H 65.74 10.78 17.37 28.58 92.13 49.91 -65.24 -40.94 2.71 0.02 97.28 0.43 0.25 1.81 92.41 5.08 0.00 0.01 0.00 19 A H H 58.98 3.72 20.76 24.35 91.70 50.60 -64.10 -41.82 2.74 0.01 97.25 0.48 0.27 1.78 95.37 2.08 0.00 0.01 0.00 20 F H H 114.92 3.04 21.61 23.99 92.00 49.43 -65.04 -41.07 4.00 0.01 95.99 0.64 0.37 2.67 94.49 1.81 0.00 0.00 0.01 21 G H H 19.02 11.09 16.21 28.47 91.59 51.45 -63.94 -41.10 4.29 0.01 95.70 0.51 0.33 3.11 94.31 1.73 0.00 0.00 0.00 22 A H H 50.39 6.71 19.44 26.76 91.95 50.94 -64.06 -41.36 4.88 0.01 95.11 0.54 0.37 3.63 93.94 1.51 0.01 0.00 0.01 23 L H H 99.72 2.10 22.22 22.93 91.79 49.44 -64.86 -41.48 3.91 0.01 96.08 0.40 0.30 2.92 95.72 0.65 0.01 0.00 0.01 24 G H H 25.46 7.05 18.44 26.65 92.18 50.73 -64.54 -41.96 2.80 0.00 97.19 0.37 0.20 1.88 97.22 0.33 0.00 0.00 0.00 25 T H H 49.55 10.10 17.89 28.67 91.83 50.15 -64.25 -41.08 0.82 0.00 99.18 0.11 0.05 0.46 99.23 0.14 0.00 0.00 0.00 26 G H H 34.88 4.18 19.46 24.12 91.73 51.53 -63.64 -41.29 0.45 0.00 99.55 0.06 0.02 0.24 99.56 0.12 0.00 0.00 0.00 27 V H H 87.72 2.73 20.80 22.74 91.99 49.04 -65.24 -41.33 0.35 0.00 99.65 0.04 0.02 0.21 99.64 0.09 0.00 0.00 0.00 28 L H H 65.54 8.50 17.69 26.88 92.05 49.67 -64.61 -42.16 0.39 0.00 99.61 0.03 0.02 0.27 99.60 0.08 0.00 0.00 0.00 29 F H H 91.46 7.56 18.26 26.60 91.93 48.99 -64.37 -41.30 0.50 0.00 99.50 0.04 0.02 0.33 99.50 0.10 0.00 0.00 0.00 30 A H H 58.55 2.78 19.77 22.14 91.51 50.98 -63.95 -40.82 0.53 0.00 99.47 0.03 0.02 0.37 99.44 0.14 0.00 0.00 0.00 31 G H H 33.17 4.40 18.48 23.39 91.98 50.89 -64.88 -40.77 1.14 0.00 98.86 0.06 0.04 0.88 98.78 0.24 0.00 0.00 0.00 32 F H H 76.86 10.17 16.34 27.22 92.26 49.70 -65.43 -40.95 1.44 0.00 98.56 0.11 0.07 1.06 98.44 0.32 0.00 0.00 0.00 33 N H H 78.97 5.04 17.92 23.82 91.93 50.51 -63.98 -41.11 1.95 0.00 98.05 0.24 0.14 1.33 97.86 0.42 0.00 0.00 0.00 34 V H H 87.87 1.70 19.56 19.60 91.88 49.12 -64.86 -41.37 2.72 0.01 97.27 0.30 0.21 1.98 96.54 0.97 0.00 0.00 0.00 35 A H H 36.44 6.30 15.11 23.27 91.91 51.13 -64.84 -39.69 3.71 0.01 96.28 0.36 0.26 2.80 94.82 1.75 0.01 0.00 0.00 36 L H H 54.52 10.10 12.24 23.71 92.21 51.56 -66.04 -36.43 5.98 0.01 94.00 0.47 0.44 4.81 91.42 2.83 0.01 0.01 0.00 37 S H H 77.72 2.10 14.64 17.17 91.92 55.43 -67.15 -30.33 17.16 0.02 82.82 0.71 0.87 15.33 80.69 2.36 0.02 0.01 0.01 38 R H H 172.45 1.10 14.35 14.66 95.01 47.40 -80.04 -25.29 30.67 0.04 69.29 0.87 3.38 25.93 68.42 1.32 0.04 0.01 0.03 39 N C C 71.72 5.45 10.75 18.23 113.20 28.20 -132.61 86.04 99.84 0.07 0.10 90.33 9.35 0.16 0.05 0.02 0.00 0.02 0.06 40 P H G 90.57 4.63 10.37 17.40 93.48 -172.93 -63.25 -26.76 12.17 0.03 87.80 1.36 0.76 8.27 3.34 86.24 0.00 0.02 0.00 41 E H G 156.36 0.77 14.70 14.24 91.38 63.66 -71.68 -18.34 10.88 0.02 89.09 0.67 0.65 8.44 3.63 86.59 0.00 0.01 0.00 42 E H G 74.03 7.64 10.81 20.32 96.75 55.13 -93.22 3.32 10.02 0.04 89.94 2.86 0.99 4.89 6.34 84.88 0.00 0.03 0.01 43 T H H 57.04 10.63 11.32 23.04 93.03 101.82 -59.95 -42.07 3.20 0.00 96.79 1.37 0.37 1.19 94.72 2.34 0.00 0.00 0.00 44 E H H 136.97 1.26 17.53 17.76 91.84 51.36 -64.61 -39.36 1.21 0.00 98.78 0.19 0.08 0.74 97.46 1.53 0.00 0.00 0.00 45 S H H 62.38 2.38 17.55 19.53 92.23 49.75 -65.71 -40.14 0.89 0.00 99.11 0.15 0.06 0.54 97.75 1.50 0.00 0.00 0.00 46 L H H 40.55 11.49 13.06 25.87 92.08 50.13 -64.59 -41.95 0.57 0.00 99.43 0.12 0.05 0.30 99.08 0.46 0.00 0.00 0.00 47 F H H 93.62 7.36 16.37 24.83 91.81 50.21 -64.02 -41.38 0.49 0.00 99.50 0.10 0.04 0.25 99.48 0.12 0.00 0.00 0.00 48 N H H 94.18 1.78 19.46 19.87 92.19 50.11 -64.53 -41.56 0.61 0.00 99.39 0.09 0.03 0.38 99.40 0.09 0.00 0.00 0.00 49 N H H 82.55 4.05 18.62 22.80 92.42 49.10 -66.50 -40.10 0.68 0.00 99.32 0.09 0.04 0.47 99.31 0.10 0.00 0.00 0.00 50 T H H 34.98 12.71 14.58 28.13 92.60 50.18 -64.92 -41.82 0.61 0.00 99.39 0.08 0.04 0.39 99.41 0.08 0.00 0.00 0.00 51 L H H 85.03 5.14 18.62 24.49 91.82 49.75 -64.22 -41.81 0.29 0.00 99.71 0.03 0.01 0.19 99.71 0.05 0.00 0.00 0.00 52 M H H 110.78 1.66 21.21 21.00 91.81 49.41 -64.37 -42.00 0.21 0.00 99.79 0.02 0.01 0.13 99.78 0.05 0.00 0.00 0.00 53 G H H 22.02 7.98 17.06 26.58 91.93 50.56 -64.17 -41.67 0.31 0.00 99.69 0.02 0.01 0.20 99.69 0.08 0.00 0.00 0.00 54 F H H 69.39 11.86 16.69 29.06 92.12 50.28 -64.78 -40.54 0.28 0.00 99.72 0.02 0.01 0.18 99.69 0.10 0.00 0.00 0.00 55 A H H 55.72 3.54 19.69 23.30 91.47 51.49 -63.56 -41.85 0.46 0.00 99.54 0.04 0.02 0.32 99.50 0.12 0.00 0.00 0.00 56 L H H 94.65 2.49 21.26 22.72 91.90 49.57 -65.12 -41.46 1.31 0.00 98.69 0.10 0.06 1.03 98.60 0.21 0.00 0.00 0.00 57 I H H 41.13 11.96 16.41 29.42 91.95 49.85 -64.29 -41.56 1.13 0.00 98.87 0.19 0.08 0.71 98.84 0.19 0.00 0.00 0.00 58 E H H 75.33 9.68 17.63 27.97 91.85 51.71 -63.44 -41.00 1.36 0.00 98.64 0.16 0.08 0.89 98.70 0.16 0.00 0.00 0.00 59 T H H 75.72 2.02 20.98 21.49 91.62 50.69 -64.22 -41.44 1.41 0.00 98.59 0.17 0.08 0.93 98.64 0.18 0.00 0.00 0.00 60 F H H 95.01 5.38 19.38 25.19 92.01 49.90 -65.09 -41.50 0.34 0.00 99.66 0.06 0.02 0.18 99.67 0.07 0.00 0.00 0.00 61 I H H 37.12 14.48 14.91 29.98 92.08 50.61 -63.71 -41.98 0.15 0.00 99.85 0.02 0.00 0.08 99.84 0.05 0.00 0.00 0.00 62 F H H 116.50 3.85 19.77 23.74 91.74 50.13 -64.01 -41.48 0.12 0.00 99.88 0.01 0.00 0.07 99.86 0.05 0.00 0.00 0.00 63 M H H 109.91 1.79 21.10 21.19 91.81 49.56 -64.79 -41.37 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 64 S H H 28.14 10.38 16.04 27.90 91.93 51.03 -64.78 -41.55 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 65 I H H 65.13 9.99 17.12 27.84 92.04 50.11 -63.73 -41.40 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 66 G H H 39.00 2.37 19.82 21.37 91.61 50.52 -63.74 -42.09 0.48 0.00 99.51 0.05 0.02 0.32 99.50 0.10 0.00 0.00 0.00 67 L H H 84.26 3.19 18.71 21.85 91.91 49.73 -65.27 -41.18 0.62 0.00 99.38 0.09 0.03 0.39 99.35 0.14 0.00 0.00 0.00 68 G H H 18.37 9.87 13.82 25.56 91.55 51.91 -63.23 -41.41 0.78 0.00 99.22 0.12 0.03 0.48 99.14 0.22 0.00 0.00 0.00 69 F H H 110.86 3.72 16.47 20.78 91.87 50.37 -64.42 -40.91 0.67 0.00 99.33 0.09 0.03 0.42 99.14 0.32 0.00 0.00 0.00 70 F H H 126.46 1.58 16.22 17.01 92.01 50.03 -64.84 -41.41 0.61 0.00 99.38 0.10 0.04 0.37 98.98 0.50 0.00 0.00 0.00 71 V H H 77.69 3.87 13.34 18.55 92.63 49.32 -66.13 -40.63 1.12 0.02 98.87 0.17 0.07 0.74 98.04 0.96 0.00 0.02 0.00 72 L H H 92.08 4.96 11.64 18.16 93.03 50.60 -66.42 -38.23 3.72 0.02 96.25 0.40 0.22 2.80 94.92 1.64 0.00 0.02 0.00 73 F H H 154.57 1.51 11.10 13.10 94.21 49.92 -73.71 -26.26 15.93 0.08 83.99 1.91 1.10 12.17 83.09 1.65 0.01 0.04 0.04 74 A H H 84.12 1.54 9.66 12.05 97.03 58.06 -78.22 -15.33 45.55 0.23 54.22 18.91 1.00 22.37 56.44 1.06 0.00 0.07 0.16 75 A C C 72.78 4.68 10.95 17.08 102.32 84.02 -74.32 9.69 99.95 0.02 0.03 99.89 0.04 0.04 0.03 0.00 0.00 0.01 0.00