# 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 102.91 8.25 15.73 24.64 116.14 -161.20 -98.02 135.19 99.82 0.16 0.01 99.77 0.10 0.04 0.00 0.00 0.00 0.08 0.02 1 M C C 82.69 11.65 10.35 22.28 114.93 -142.81 -90.83 132.12 85.88 12.86 1.26 83.34 1.36 1.56 0.58 0.47 0.00 7.38 5.31 2 N C C 109.67 3.51 14.15 19.02 113.89 -160.41 -97.87 127.62 86.52 11.74 1.74 64.68 13.79 7.79 0.55 1.27 0.00 8.31 3.61 3 G C C 41.73 8.81 11.19 20.65 106.44 -122.14 -80.87 18.85 94.10 4.92 0.98 56.01 31.73 6.63 0.22 0.84 0.00 2.92 1.65 4 R C C 135.15 4.60 12.81 19.05 117.92 116.89 -94.83 137.70 97.01 2.47 0.52 73.74 21.50 1.67 0.15 0.38 0.00 1.05 1.52 5 P C T 90.64 6.04 12.17 19.78 110.01 -101.32 -62.56 139.31 94.81 0.81 4.38 16.62 10.93 66.90 0.61 4.09 0.00 0.45 0.40 6 G C T 53.93 3.55 14.66 19.24 101.02 18.38 82.43 -2.84 94.68 0.65 4.66 15.93 12.58 65.87 0.71 4.23 0.00 0.37 0.32 7 H C C 105.90 7.50 13.19 21.80 106.86 99.50 -93.24 38.35 92.12 2.04 5.84 59.10 25.01 6.83 1.22 5.21 0.00 0.74 1.89 8 E C C 81.63 9.11 14.85 25.03 117.42 118.86 -91.15 137.74 92.77 1.39 5.84 70.93 18.62 2.97 2.16 3.57 0.00 0.53 1.21 9 P H G 48.83 13.70 15.88 29.75 96.43 -111.78 -64.19 -23.02 44.85 0.59 54.56 10.99 5.09 27.56 4.33 51.49 0.00 0.35 0.20 10 L H G 37.85 18.73 13.51 31.32 94.60 61.58 -75.29 -8.99 32.69 0.48 66.83 5.34 3.08 22.69 3.92 64.52 0.00 0.28 0.17 11 K H G 129.03 4.93 18.97 25.31 92.81 93.15 -64.86 -24.00 33.73 0.53 65.74 3.72 3.67 24.89 3.50 63.74 0.00 0.28 0.20 12 F H G 95.37 9.96 16.57 27.11 94.40 57.72 -85.41 -11.41 46.13 0.65 53.22 4.87 6.03 33.84 2.72 51.94 0.00 0.36 0.25 13 L C S 24.02 20.47 9.50 28.93 116.74 86.47 -94.20 131.23 98.59 0.90 0.51 19.23 78.81 0.60 0.21 0.14 0.00 0.22 0.79 14 P C C 60.99 4.80 16.01 22.20 116.13 -111.04 -66.34 154.14 97.84 0.39 1.77 89.99 6.01 1.94 1.09 0.50 0.00 0.13 0.34 15 D H H 107.53 3.47 13.62 18.74 92.22 -104.59 -60.44 -34.29 40.98 0.31 58.71 7.57 8.25 23.94 34.75 25.05 0.05 0.13 0.26 16 E H H 119.24 2.95 15.49 19.07 92.08 59.16 -66.74 -29.04 29.78 0.25 69.97 4.77 3.66 18.80 43.33 29.13 0.04 0.12 0.15 17 A H H 22.72 15.06 10.65 26.08 92.19 61.35 -67.76 -29.63 15.75 0.25 84.01 4.59 2.33 7.58 46.35 38.92 0.01 0.14 0.08 18 R H H 122.40 8.83 14.20 23.94 92.92 61.03 -73.76 -19.43 29.30 0.41 70.30 6.01 4.37 16.68 39.84 32.62 0.05 0.20 0.23 19 S C T 84.42 1.90 16.83 18.53 96.75 57.34 -89.77 -1.42 51.15 0.81 48.05 12.10 9.16 29.02 20.31 28.31 0.07 0.36 0.67 20 L C S 56.60 12.68 9.42 22.75 118.20 110.03 -78.28 142.60 99.12 0.50 0.37 30.83 67.81 0.53 0.21 0.09 0.00 0.12 0.40 21 P C C 91.01 3.05 17.39 20.90 115.18 -101.65 -67.23 148.02 99.71 0.24 0.04 94.78 4.80 0.16 0.01 0.02 0.00 0.08 0.15 22 P C C 70.93 11.82 13.24 25.44 116.01 -101.09 -67.24 147.82 99.66 0.22 0.11 96.35 3.06 0.27 0.04 0.04 0.00 0.07 0.17 23 P C C 42.66 13.96 13.03 27.42 113.73 -104.43 -67.84 151.02 97.44 0.49 2.07 90.57 4.19 2.77 0.54 1.33 0.00 0.19 0.42 24 K C C 132.74 4.35 18.33 23.42 99.53 -111.51 -70.70 -12.29 80.04 1.71 18.25 33.97 22.59 23.42 2.52 15.56 0.00 0.71 1.23 25 L C T 61.17 15.19 11.63 26.18 101.02 89.23 -82.43 9.99 78.92 2.18 18.91 25.79 20.16 33.50 2.39 15.81 0.01 0.95 1.41 26 N C C 103.45 5.28 16.40 22.67 99.77 85.78 -90.71 5.43 80.79 2.00 17.22 38.41 18.12 23.72 2.42 15.23 0.00 0.90 1.21 27 D C C 51.96 9.71 12.48 23.92 110.04 108.80 -91.58 113.31 95.67 1.12 3.21 64.64 29.10 1.76 2.38 0.76 0.00 0.30 1.05 28 P H H 89.43 4.65 14.82 21.01 92.76 -157.19 -62.11 -30.56 37.43 0.19 62.38 4.58 4.40 27.95 58.56 4.25 0.05 0.08 0.13 29 R H H 129.55 4.69 17.28 22.92 92.41 60.36 -67.30 -31.38 24.28 0.13 75.59 3.22 2.39 18.48 72.03 3.71 0.04 0.06 0.08 30 L H H 26.74 16.79 13.85 30.74 92.64 58.41 -66.01 -39.10 8.03 0.16 91.81 3.15 1.11 4.05 87.05 4.46 0.02 0.10 0.06 31 V H H 57.51 11.06 17.86 29.33 91.93 52.11 -63.77 -40.89 3.21 0.09 96.71 1.00 0.38 1.84 93.74 2.95 0.01 0.06 0.02 32 Y H H 128.03 2.91 23.10 25.07 91.94 50.11 -65.08 -41.58 1.93 0.04 98.03 0.39 0.19 1.27 95.79 2.32 0.01 0.03 0.01 33 M H H 58.14 10.43 20.55 31.51 92.08 49.45 -65.13 -41.78 1.95 0.02 98.03 0.24 0.14 1.44 96.58 1.58 0.00 0.01 0.00 34 G H H 8.13 19.15 17.29 36.27 91.77 51.58 -63.72 -42.21 4.56 0.02 95.42 0.29 0.24 3.96 94.15 1.33 0.01 0.01 0.01 35 L H H 80.46 6.52 23.92 30.54 91.71 49.23 -65.01 -41.53 3.80 0.01 96.19 0.27 0.23 3.10 95.58 0.81 0.00 0.00 0.00 36 L H H 81.88 4.52 24.80 29.25 91.67 49.87 -64.63 -42.07 2.17 0.00 97.83 0.20 0.16 1.63 97.51 0.50 0.00 0.00 0.00 37 G H H 9.58 17.19 19.17 36.41 91.93 50.99 -63.96 -42.22 2.30 0.00 97.69 0.21 0.14 1.75 97.42 0.47 0.00 0.00 0.00 38 Y H H 68.90 15.34 22.15 36.54 91.85 49.53 -63.75 -42.07 1.72 0.00 98.28 0.18 0.12 1.25 98.04 0.40 0.00 0.00 0.00 39 C H H 63.75 4.71 25.26 29.82 91.86 49.72 -64.27 -42.29 1.13 0.00 98.87 0.15 0.09 0.73 98.75 0.27 0.00 0.00 0.00 40 T H H 49.02 7.43 23.76 31.64 91.86 50.31 -64.66 -42.10 0.80 0.00 99.19 0.11 0.06 0.52 99.07 0.23 0.00 0.00 0.00 41 G H H 6.63 18.45 18.35 37.06 91.64 50.68 -63.62 -42.32 0.67 0.00 99.32 0.07 0.04 0.47 99.19 0.22 0.00 0.00 0.00 42 L H H 59.08 11.16 21.20 32.54 91.70 49.83 -64.28 -41.88 0.55 0.00 99.45 0.05 0.03 0.38 99.32 0.21 0.00 0.00 0.00 43 M H H 92.98 3.05 23.40 25.52 91.70 49.60 -64.05 -42.35 0.54 0.00 99.46 0.05 0.03 0.37 99.34 0.20 0.00 0.00 0.00 44 D H H 44.59 8.34 18.94 28.57 92.08 49.62 -64.98 -41.07 0.96 0.00 99.04 0.09 0.06 0.69 98.88 0.28 0.00 0.00 0.00 45 N H H 19.85 14.20 13.25 28.78 91.86 50.42 -64.85 -40.41 1.79 0.00 98.21 0.15 0.11 1.35 97.86 0.52 0.00 0.00 0.00 46 M H H 99.07 5.09 15.68 21.89 92.26 51.00 -65.24 -39.38 2.89 0.00 97.10 0.15 0.14 2.44 96.34 0.92 0.00 0.00 0.00 47 L H H 118.62 1.85 15.53 17.40 92.33 50.15 -68.38 -32.81 11.14 0.02 88.84 0.36 0.59 10.33 87.61 1.07 0.02 0.01 0.01 48 R C T 129.52 4.05 13.05 18.38 96.30 46.32 -93.05 2.95 74.58 0.07 25.35 1.14 3.48 68.51 25.36 1.41 0.00 0.02 0.08 49 M C T 149.21 1.95 13.74 16.94 94.90 -122.84 58.02 38.79 98.37 0.02 1.60 5.70 3.25 89.65 1.17 0.19 0.00 0.01 0.01 50 R C C 99.49 7.20 10.81 19.90 123.49 139.65 -107.55 146.57 99.59 0.32 0.09 81.92 17.43 0.23 0.05 0.03 0.00 0.09 0.25 51 P C C 72.79 4.05 15.59 20.66 112.22 -101.09 -64.83 143.03 99.10 0.39 0.51 97.10 1.65 0.46 0.26 0.11 0.00 0.12 0.31 52 V H H 70.93 11.96 10.96 23.40 94.06 -122.38 -61.87 -33.64 35.13 0.92 63.96 9.38 7.65 18.11 38.53 25.11 0.16 0.40 0.65 53 M H H 121.03 3.74 15.70 20.42 92.70 60.76 -68.21 -29.53 30.96 0.61 68.44 4.29 4.67 19.93 41.53 28.69 0.22 0.31 0.37 54 R H H 145.20 3.11 17.40 20.90 96.56 48.08 -83.63 -14.84 26.71 0.69 72.59 5.68 4.43 14.92 44.73 29.40 0.16 0.35 0.34 55 A H H 26.68 13.83 12.23 26.61 99.73 67.39 -79.15 -23.48 42.50 1.44 56.06 14.10 11.27 18.17 39.22 15.61 0.15 0.63 0.85 56 G C C 23.49 9.46 17.02 27.42 109.47 -113.16 -71.67 64.60 60.70 1.24 38.06 35.90 10.55 14.52 32.54 5.22 0.01 0.48 0.77 57 L H H 84.61 7.95 15.98 24.89 93.21 -36.87 -62.32 -39.87 14.80 0.47 84.73 5.45 2.52 7.10 75.04 9.40 0.04 0.29 0.15 58 H H H 118.71 2.76 19.05 21.75 92.09 52.22 -65.29 -39.04 10.58 0.71 88.72 3.82 1.34 5.27 77.97 10.83 0.03 0.60 0.13 59 R H H 89.97 8.74 17.81 27.34 92.42 49.95 -66.16 -39.18 6.70 0.47 92.83 2.56 0.83 3.18 82.15 10.76 0.01 0.42 0.07 60 Q H H 42.06 14.74 15.21 30.27 91.88 52.56 -63.77 -41.45 6.33 0.43 93.24 2.15 0.96 3.25 87.72 5.39 0.06 0.38 0.09 61 L H H 83.52 5.20 19.49 25.34 91.90 50.68 -64.48 -41.26 5.28 0.18 94.55 1.14 0.70 3.25 90.81 3.86 0.05 0.15 0.05 62 L H H 91.66 2.92 20.47 22.92 92.05 49.18 -65.59 -41.22 4.47 0.08 95.45 0.76 0.45 3.02 91.74 3.94 0.02 0.06 0.02 63 F H H 67.04 10.45 17.81 28.99 92.57 48.41 -66.43 -40.57 5.63 0.10 94.27 0.91 0.55 3.95 90.56 3.89 0.02 0.07 0.03 64 V H H 43.71 12.23 17.00 29.76 92.51 50.31 -64.69 -42.04 4.68 0.09 95.23 1.07 0.57 2.91 93.51 1.83 0.01 0.05 0.03 65 T H H 71.02 3.58 20.60 24.03 92.03 50.25 -65.02 -41.49 2.04 0.03 97.93 0.51 0.24 1.18 97.51 0.54 0.00 0.01 0.01 66 S H H 54.51 3.89 20.42 24.21 92.11 49.04 -65.23 -41.29 0.85 0.01 99.14 0.17 0.07 0.53 98.99 0.23 0.00 0.00 0.00 67 F H H 65.74 11.22 17.57 29.39 92.61 48.99 -66.26 -40.85 0.45 0.00 99.55 0.08 0.03 0.28 99.46 0.14 0.00 0.00 0.00 68 V H H 56.55 9.88 17.92 28.30 92.06 51.45 -64.11 -42.38 0.31 0.00 99.69 0.04 0.02 0.21 99.64 0.09 0.00 0.00 0.00 69 F H H 116.17 2.47 21.57 23.11 91.66 49.24 -64.43 -42.01 0.30 0.00 99.70 0.03 0.02 0.21 99.66 0.08 0.00 0.00 0.00 70 A H H 48.99 4.66 20.23 25.19 91.76 49.51 -64.64 -41.71 0.28 0.00 99.72 0.02 0.01 0.20 99.70 0.06 0.00 0.00 0.00 71 G H H 16.00 11.59 16.39 29.25 92.16 50.82 -64.27 -41.57 0.44 0.00 99.56 0.04 0.02 0.32 99.54 0.08 0.00 0.00 0.00 72 Y H H 100.83 6.54 18.84 26.11 92.28 50.72 -64.86 -41.42 0.32 0.00 99.68 0.02 0.01 0.25 99.64 0.07 0.00 0.00 0.00 73 F H H 109.17 2.70 20.03 22.16 91.86 50.15 -64.39 -42.00 0.38 0.00 99.61 0.03 0.02 0.30 99.57 0.08 0.00 0.00 0.00 74 Y H H 99.41 5.49 18.48 24.59 92.00 49.42 -64.97 -41.36 0.50 0.00 99.50 0.05 0.03 0.36 99.46 0.10 0.00 0.00 0.00 75 L H H 57.30 9.07 16.23 26.41 92.09 50.80 -64.53 -41.17 0.57 0.00 99.43 0.07 0.04 0.38 99.39 0.11 0.00 0.00 0.00 76 K H H 109.02 3.64 18.64 22.66 91.74 50.24 -64.61 -41.08 0.85 0.00 99.15 0.10 0.05 0.61 99.10 0.14 0.00 0.00 0.00 77 R H H 122.13 2.81 18.79 21.44 92.09 49.72 -65.13 -41.31 0.71 0.00 99.29 0.08 0.05 0.49 99.24 0.13 0.00 0.00 0.00 78 Q H H 73.14 7.06 17.18 25.16 91.97 50.01 -64.90 -41.23 0.39 0.00 99.61 0.06 0.02 0.24 99.59 0.08 0.00 0.00 0.00 79 N H H 70.94 6.45 17.22 24.61 91.76 50.65 -64.86 -40.30 0.42 0.00 99.58 0.05 0.02 0.28 99.54 0.11 0.00 0.00 0.00 80 Y H H 125.67 2.74 18.95 21.43 91.98 50.22 -64.78 -41.22 0.34 0.00 99.66 0.03 0.02 0.24 99.58 0.13 0.00 0.00 0.00 81 L H H 77.48 4.29 18.80 23.57 92.03 49.75 -64.62 -42.10 0.48 0.00 99.52 0.04 0.03 0.36 99.43 0.14 0.00 0.00 0.00 82 Y H H 88.72 7.59 17.57 26.19 92.51 48.50 -65.40 -40.70 1.49 0.00 98.51 0.13 0.10 1.14 98.43 0.20 0.00 0.00 0.00 83 A H H 42.36 5.33 17.02 23.73 92.05 51.43 -63.94 -41.29 2.50 0.01 97.50 0.28 0.21 1.77 97.45 0.27 0.01 0.00 0.00 84 V H H 79.96 2.52 19.80 21.56 92.02 49.02 -64.69 -41.94 3.89 0.01 96.10 0.36 0.33 2.91 96.00 0.38 0.01 0.00 0.01 85 K H H 85.31 5.96 18.11 25.00 92.08 49.66 -64.80 -41.62 5.21 0.01 94.78 0.43 0.44 3.86 94.93 0.32 0.00 0.00 0.00 86 D H H 51.77 8.70 15.92 25.82 91.86 50.61 -64.69 -40.85 5.02 0.01 94.97 1.10 0.51 2.90 95.21 0.26 0.00 0.00 0.01 87 H H H 108.44 2.81 18.45 21.16 91.77 50.23 -64.77 -40.78 0.84 0.00 99.16 0.15 0.08 0.46 99.17 0.13 0.00 0.00 0.00 88 D H H 83.13 2.85 18.60 21.30 92.18 49.35 -65.55 -41.09 0.65 0.00 99.35 0.08 0.04 0.42 99.30 0.16 0.00 0.00 0.00 89 M H H 64.90 9.09 15.76 25.87 92.21 49.41 -65.44 -40.85 0.57 0.00 99.43 0.06 0.03 0.36 99.41 0.13 0.00 0.00 0.00 90 F H H 94.89 6.13 16.48 23.54 91.80 51.29 -63.84 -40.98 0.31 0.00 99.69 0.04 0.02 0.18 99.72 0.05 0.00 0.00 0.00 91 G H H 32.79 2.45 17.43 19.89 91.57 51.25 -63.41 -41.51 0.42 0.00 99.58 0.05 0.02 0.26 99.60 0.07 0.00 0.00 0.00 92 Y H H 88.71 5.61 15.41 22.60 92.33 50.18 -65.23 -41.30 0.33 0.00 99.67 0.05 0.02 0.21 99.61 0.10 0.00 0.00 0.00 93 I H H 56.40 10.00 12.04 23.29 92.13 50.41 -65.31 -39.09 0.46 0.00 99.54 0.05 0.03 0.32 99.42 0.18 0.00 0.00 0.00 94 K H H 146.54 1.55 15.24 16.70 92.19 50.50 -67.07 -36.64 2.40 0.00 97.59 0.08 0.08 2.23 97.37 0.24 0.00 0.00 0.00 95 L H H 118.04 1.48 14.29 15.37 95.27 44.12 -78.16 -31.02 7.15 0.01 92.84 0.14 0.55 6.46 92.64 0.19 0.01 0.00 0.00 96 H C C 80.51 6.35 10.74 19.07 111.04 24.69 -132.46 68.64 99.82 0.07 0.11 85.73 13.84 0.25 0.06 0.03 0.00 0.02 0.07 97 P H G 72.91 8.28 8.99 19.00 93.12 162.52 -61.57 -30.82 16.47 0.08 83.45 2.03 1.07 10.21 1.07 85.57 0.00 0.05 0.01 98 E H G 159.57 0.76 14.53 14.15 91.15 62.45 -70.00 -19.30 16.33 0.04 83.62 0.46 0.86 12.63 0.90 85.11 0.00 0.02 0.01 99 D H G 90.32 4.14 13.09 18.59 95.30 53.97 -91.13 -5.83 16.18 0.12 83.70 1.55 1.91 9.92 1.04 85.49 0.00 0.07 0.02 100 F C S 52.58 15.68 6.96 21.71 117.41 89.82 -93.74 131.11 98.52 0.32 1.15 25.56 72.43 0.70 0.49 0.37 0.00 0.07 0.37 101 P C C 77.61 4.29 12.70 18.59 114.59 -118.65 -69.76 151.89 97.50 0.30 2.20 91.09 4.68 1.93 0.76 1.17 0.00 0.11 0.25 102 E C C 150.51 1.70 12.80 15.60 112.28 -102.59 -73.87 140.05 95.93 0.50 3.57 85.13 8.08 2.80 1.34 2.01 0.00 0.20 0.44 103 K C C 130.73 6.02 8.51 16.34 114.86 -112.54 -81.94 137.93 95.96 0.65 3.38 81.74 10.88 3.37 1.15 2.04 0.00 0.26 0.56 104 E C C 128.02 3.24 10.39 15.36 116.07 -138.53 -93.99 135.60 97.29 0.76 1.95 81.58 12.71 3.04 0.67 1.16 0.00 0.33 0.52 105 K C C 158.53 2.02 10.53 14.27 112.91 -123.26 -84.21 130.66 97.08 1.76 1.16 87.33 8.11 1.78 0.47 0.57 0.00 0.90 0.84 106 K C C 96.36 7.27 9.22 18.15 123.08 -159.53 -113.30 144.28 95.86 3.51 0.63 92.40 3.42 0.46 0.33 0.22 0.00 1.84 1.34 107 T C C 70.27 3.01 14.82 18.38 120.83 -128.27 -84.90 159.19 76.68 22.59 0.74 73.09 2.67 0.25 0.63 0.13 0.00 4.64 18.59 108 Y H H 118.67 8.52 10.71 20.51 91.74 -109.76 -58.15 -38.56 7.95 0.19 91.87 1.61 1.19 4.67 69.89 22.42 0.04 0.12 0.05 109 A H H 60.97 4.08 12.72 18.16 90.87 57.71 -63.56 -33.96 3.70 0.05 96.26 0.46 0.31 2.50 69.41 27.27 0.00 0.03 0.01 110 E H H 104.18 3.92 13.73 18.86 91.98 54.92 -69.45 -31.28 2.79 0.04 97.17 0.36 0.27 1.86 69.38 28.08 0.00 0.03 0.00 111 I H H 73.18 8.96 11.48 21.44 95.73 49.53 -76.24 -30.68 10.87 0.14 89.00 1.46 1.40 7.39 71.59 17.96 0.06 0.07 0.06 112 L C H 91.99 6.34 11.76 19.23 99.29 50.57 -92.86 -3.11 52.43 2.11 45.46 11.33 10.65 31.16 34.53 9.86 0.20 0.75 1.52 113 E C S 102.87 4.69 10.55 17.20 116.62 115.78 -81.38 139.35 98.05 1.20 0.75 46.06 50.92 1.32 0.43 0.24 0.00 0.46 0.57 114 P C C 105.65 2.16 13.19 16.18 110.74 -104.63 -67.08 141.99 96.85 1.88 1.26 71.30 18.91 6.65 0.33 0.94 0.00 1.14 0.73 115 F C C 111.47 9.76 7.26 17.38 116.10 -129.52 -92.91 136.06 92.68 6.30 1.03 75.90 11.85 4.79 0.29 0.79 0.00 3.78 2.59 116 H C C 137.07 2.15 12.27 15.60 118.34 -163.78 -116.75 125.62 88.46 11.33 0.21 75.39 12.61 0.71 0.08 0.16 0.00 8.43 2.62 117 P C C 91.35 5.40 8.36 15.65 113.69 -113.86 -67.23 141.36 85.98 13.48 0.53 75.25 7.88 2.67 0.16 0.39 0.00 10.07 3.57 118 V C C 107.35 3.35 7.90 13.13 112.98 -151.91 -99.66 123.05 92.72 6.87 0.41 90.81 1.14 1.49 0.16 0.16 0.00 3.68 2.56 119 R C C 177.33 2.07 10.13 13.67 111.35 -127.22 -92.85 121.15 99.92 0.08 0.00 99.88 0.06 0.01 0.00 0.00 0.00 0.04 0.01