# 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 105.08 7.96 12.69 21.64 115.95 -143.89 -93.57 132.58 99.96 0.03 0.01 99.92 0.04 0.02 0.01 0.00 0.00 0.01 0.00 1 A C C 68.35 5.63 11.19 18.45 113.14 -120.23 -76.67 142.83 94.08 1.73 4.18 92.66 0.50 2.11 2.57 0.67 0.00 0.97 0.51 2 R C C 161.54 3.48 11.61 16.79 112.95 -135.73 -90.86 130.58 86.69 6.42 6.89 75.07 7.55 3.81 5.39 1.81 0.00 3.78 2.61 3 V C C 73.57 9.70 9.41 19.95 116.32 -151.23 -98.68 130.28 84.58 5.57 9.85 73.45 7.74 2.96 8.85 1.78 0.00 3.53 1.68 4 K C C 133.72 3.63 14.38 19.43 113.66 -144.95 -90.46 126.69 82.60 2.98 14.42 70.38 7.30 3.74 14.21 1.73 0.00 1.81 0.83 5 R C C 130.65 7.84 12.92 21.67 104.96 -138.25 -81.93 20.95 62.38 1.14 36.48 43.76 9.41 7.13 36.84 1.94 0.00 0.53 0.39 6 G H H 31.95 8.55 13.72 23.16 103.89 47.03 -43.66 -67.03 44.34 0.51 55.15 27.88 8.10 7.90 53.65 2.06 0.00 0.21 0.21 7 V H H 87.82 3.90 15.55 20.16 94.44 -15.48 -66.74 -37.65 16.44 0.28 83.28 9.30 3.18 4.89 80.41 1.97 0.01 0.13 0.10 8 Q H H 92.72 4.06 17.65 22.18 93.46 52.00 -67.10 -39.37 9.59 0.19 90.22 5.48 1.69 3.17 87.83 1.67 0.01 0.10 0.07 9 A H H 22.68 11.84 13.88 27.18 92.49 52.09 -65.06 -40.85 5.79 0.08 94.13 3.04 0.90 2.09 92.78 1.14 0.00 0.04 0.03 10 N H H 70.15 8.09 16.95 25.98 92.50 51.31 -65.00 -40.42 4.06 0.03 95.91 1.82 0.54 1.63 95.31 0.67 0.00 0.01 0.01 11 R H H 131.46 2.40 20.11 21.79 92.37 50.50 -65.26 -41.45 1.93 0.01 98.06 0.72 0.22 0.84 97.84 0.37 0.00 0.00 0.00 12 R H H 103.61 6.50 19.06 26.30 92.10 49.82 -65.24 -41.15 1.29 0.00 98.71 0.40 0.13 0.63 98.57 0.27 0.00 0.00 0.00 13 H H H 42.27 15.80 15.45 31.30 92.27 50.74 -64.63 -41.21 1.05 0.00 98.94 0.28 0.09 0.54 98.89 0.20 0.00 0.00 0.00 14 K H H 104.81 5.07 20.16 25.72 91.72 51.18 -64.01 -40.47 0.87 0.00 99.13 0.21 0.08 0.44 99.11 0.16 0.00 0.00 0.00 15 K H H 107.55 2.57 21.46 23.05 91.72 50.13 -64.56 -41.26 1.08 0.00 98.92 0.24 0.10 0.60 98.87 0.19 0.00 0.00 0.00 16 I H H 28.95 13.41 16.69 31.22 92.10 49.63 -64.69 -42.59 0.97 0.00 99.03 0.17 0.09 0.61 98.81 0.31 0.00 0.00 0.00 17 L H H 42.68 14.43 15.58 30.30 92.01 50.97 -64.00 -40.17 1.24 0.00 98.76 0.18 0.10 0.84 97.84 1.03 0.00 0.00 0.00 18 K H H 135.46 1.98 20.51 21.80 91.93 51.07 -64.68 -38.76 5.00 0.01 94.99 0.28 0.25 4.32 92.28 2.86 0.01 0.00 0.00 19 R H H 133.81 4.27 18.22 23.07 92.38 51.26 -70.17 -28.17 15.04 0.02 84.94 0.54 0.78 13.62 81.61 3.41 0.02 0.01 0.01 20 A H H 17.44 18.10 10.49 28.24 95.71 54.51 -84.84 -6.31 46.98 0.19 52.83 7.16 4.92 34.60 47.01 6.04 0.03 0.07 0.16 21 K C T 137.41 4.58 14.74 21.69 107.98 115.48 -65.87 124.73 88.37 0.41 11.22 6.63 4.59 77.60 6.02 4.60 0.00 0.17 0.37 22 G C T 61.77 1.20 16.50 17.04 96.75 21.04 80.40 -0.56 93.01 0.23 6.76 7.12 7.22 78.81 2.07 4.53 0.00 0.12 0.15 23 Y C C 94.78 12.28 9.29 21.78 113.57 115.85 -84.84 130.42 93.90 1.17 4.93 79.15 9.19 5.64 1.50 3.20 0.00 0.53 0.79 24 Y C C 163.74 2.92 13.58 18.08 115.37 -170.61 -106.64 128.40 90.36 4.62 5.02 70.72 10.35 8.77 2.54 2.32 0.00 2.00 3.29 25 G C C 41.51 5.08 13.49 20.00 124.57 66.56 117.84 -169.24 87.92 2.52 9.56 34.34 33.94 20.45 4.27 4.56 0.01 1.18 1.26 26 A C C 65.96 4.60 13.18 19.06 111.06 -67.76 -77.76 139.45 80.70 1.29 18.01 54.76 14.13 11.57 11.78 6.40 0.00 0.55 0.81 27 R H H 143.70 5.58 12.09 19.25 97.01 -129.20 -67.55 -33.59 33.50 0.73 65.76 16.02 6.56 11.03 46.85 18.83 0.03 0.35 0.34 28 S H H 77.70 2.41 14.26 17.24 95.12 58.66 -67.46 -31.25 26.68 0.36 72.97 7.08 4.21 13.89 54.03 20.42 0.04 0.18 0.16 29 R H H 135.49 3.26 15.07 18.97 96.51 52.26 -76.65 -26.50 23.28 0.50 76.21 8.76 3.46 10.24 57.75 19.29 0.04 0.27 0.20 30 V H H 50.55 10.40 13.12 24.63 94.02 56.35 -66.54 -40.62 10.06 0.22 89.72 5.93 1.95 2.99 86.81 2.13 0.01 0.10 0.07 31 Y H H 108.97 7.88 16.21 24.82 92.73 51.76 -65.52 -40.97 2.90 0.04 97.06 1.29 0.40 1.10 96.66 0.52 0.00 0.02 0.01 32 R H H 140.84 2.35 19.73 21.60 92.61 49.93 -65.38 -41.22 1.30 0.01 98.69 0.48 0.15 0.56 98.50 0.30 0.00 0.01 0.00 33 V H H 60.75 6.34 18.91 26.17 92.61 49.21 -65.59 -41.76 0.53 0.00 99.47 0.15 0.05 0.24 99.41 0.14 0.00 0.00 0.00 34 A H H 20.78 13.69 15.70 30.50 91.95 51.18 -63.87 -42.17 0.34 0.00 99.66 0.08 0.03 0.16 99.66 0.07 0.00 0.00 0.00 35 V H H 67.13 6.41 20.29 27.22 91.96 49.68 -64.05 -41.88 0.24 0.00 99.76 0.04 0.02 0.12 99.77 0.04 0.00 0.00 0.00 36 Q H H 96.02 3.11 21.86 24.47 91.99 49.58 -65.07 -41.30 0.21 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 37 A H H 30.54 10.02 17.93 29.24 92.09 50.42 -64.42 -41.42 0.28 0.00 99.72 0.04 0.01 0.15 99.75 0.04 0.00 0.00 0.00 38 V H H 51.35 10.89 18.24 29.60 92.28 49.62 -64.98 -41.94 0.43 0.00 99.57 0.06 0.03 0.24 99.62 0.06 0.00 0.00 0.00 39 T H H 72.73 3.77 20.96 24.61 92.03 49.09 -64.93 -41.63 0.91 0.00 99.09 0.13 0.06 0.54 99.18 0.08 0.00 0.00 0.00 40 K H H 109.78 3.55 20.75 24.27 92.22 48.74 -65.55 -40.85 1.37 0.00 98.63 0.21 0.10 0.81 98.75 0.13 0.00 0.00 0.00 41 A H H 32.29 10.02 16.88 28.03 91.82 50.92 -64.23 -41.07 1.00 0.00 99.00 0.15 0.07 0.58 99.04 0.16 0.00 0.00 0.00 42 G H H 29.02 7.02 18.16 26.02 92.40 51.01 -63.94 -40.80 1.40 0.00 98.60 0.20 0.09 0.87 98.60 0.24 0.00 0.00 0.00 43 Q H H 98.68 2.82 19.86 22.30 92.19 50.31 -65.28 -41.25 1.32 0.00 98.68 0.22 0.11 0.78 98.61 0.29 0.00 0.00 0.00 44 Y H H 106.81 4.66 18.83 23.97 92.48 49.15 -65.34 -41.24 1.46 0.00 98.54 0.29 0.14 0.85 98.33 0.39 0.00 0.00 0.00 45 A H H 35.40 8.54 15.52 25.24 92.26 51.20 -64.20 -41.09 2.32 0.00 97.67 0.43 0.21 1.43 97.41 0.52 0.00 0.00 0.00 46 Y H H 121.26 3.78 17.91 21.93 92.35 49.32 -65.49 -41.07 3.96 0.01 96.03 0.70 0.41 2.60 95.43 0.84 0.01 0.00 0.00 47 R H H 133.31 2.21 18.32 20.02 92.51 49.50 -66.18 -40.35 7.16 0.02 92.82 1.06 0.76 4.96 92.39 0.80 0.00 0.00 0.01 48 D H H 62.22 5.42 15.92 22.37 93.24 49.25 -67.60 -37.84 16.62 0.04 83.34 4.24 1.64 9.85 83.34 0.89 0.00 0.01 0.03 49 R H H 110.23 6.51 15.85 23.01 92.40 52.93 -64.78 -40.61 5.41 0.01 94.58 1.74 0.74 2.59 94.09 0.83 0.00 0.00 0.01 50 R H H 132.44 2.66 17.37 20.13 92.44 50.35 -65.51 -40.93 3.67 0.01 96.32 0.99 0.42 1.96 95.83 0.78 0.00 0.00 0.00 51 N H H 83.08 2.78 17.51 20.28 92.15 49.48 -65.32 -40.57 3.00 0.01 96.99 0.92 0.35 1.49 96.53 0.70 0.00 0.00 0.00 52 K H H 97.60 5.25 16.42 22.47 92.17 50.38 -64.69 -40.93 1.76 0.00 98.23 0.50 0.19 0.85 98.13 0.33 0.00 0.00 0.00 53 K H H 99.07 5.70 16.81 23.34 92.06 50.40 -65.00 -40.82 1.14 0.00 98.86 0.26 0.10 0.59 98.83 0.22 0.00 0.00 0.00 54 R H H 123.09 3.21 18.00 21.44 92.29 50.29 -64.93 -41.15 0.82 0.00 99.18 0.16 0.07 0.44 99.15 0.18 0.00 0.00 0.00 55 T H H 68.14 3.48 18.57 22.17 91.93 49.63 -64.99 -41.70 0.76 0.00 99.24 0.13 0.05 0.43 99.25 0.14 0.00 0.00 0.00 56 F H H 81.60 7.86 17.44 26.21 92.22 49.53 -64.65 -41.52 0.48 0.00 99.52 0.07 0.03 0.27 99.53 0.10 0.00 0.00 0.00 57 R H H 97.66 10.00 17.60 28.01 91.88 51.32 -63.78 -41.01 0.30 0.00 99.70 0.04 0.01 0.17 99.72 0.06 0.00 0.00 0.00 58 R H H 135.26 3.37 20.33 23.80 91.97 50.14 -64.62 -41.15 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 59 L H H 78.27 4.98 21.01 26.18 91.90 49.44 -65.10 -41.55 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 60 W H H 48.88 15.62 18.59 34.23 91.92 49.99 -64.25 -42.36 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 61 I H H 49.09 13.33 20.21 33.62 91.86 50.27 -63.70 -41.93 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 62 A H H 53.45 4.06 24.14 27.86 91.59 50.48 -63.97 -41.58 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 63 R H H 86.73 10.68 23.65 34.11 91.93 49.23 -65.43 -41.14 0.28 0.00 99.72 0.02 0.01 0.21 99.72 0.05 0.00 0.00 0.00 64 I H H 9.93 22.88 19.63 42.31 91.78 49.06 -64.85 -42.98 0.32 0.00 99.68 0.02 0.01 0.22 99.70 0.04 0.00 0.00 0.00 65 N H H 63.59 10.13 24.33 34.52 91.56 50.58 -62.91 -41.60 0.48 0.00 99.52 0.06 0.02 0.28 99.59 0.06 0.00 0.00 0.00 66 A H H 42.43 4.19 25.16 29.47 91.32 50.37 -63.61 -41.96 0.35 0.00 99.65 0.03 0.01 0.22 99.65 0.09 0.00 0.00 0.00 67 G H H 7.88 14.11 19.64 35.10 91.72 50.72 -64.10 -42.18 0.41 0.00 99.59 0.03 0.02 0.28 99.54 0.13 0.00 0.00 0.00 68 A H H 8.71 17.86 15.32 34.03 91.49 51.45 -63.70 -41.52 0.64 0.00 99.36 0.07 0.04 0.41 99.21 0.27 0.00 0.00 0.00 69 R H H 158.40 2.43 20.01 22.80 91.71 50.83 -63.31 -40.96 1.16 0.00 98.84 0.11 0.06 0.87 98.17 0.79 0.00 0.00 0.00 70 L H H 109.26 3.98 17.48 22.40 91.42 52.36 -66.64 -30.12 6.42 0.01 93.57 0.16 0.22 6.16 92.59 0.86 0.01 0.00 0.00 71 N C T 67.11 10.49 13.64 25.09 94.69 45.55 -94.20 2.66 68.17 0.01 31.82 0.30 0.92 67.19 30.72 0.85 0.00 0.00 0.01 72 G C T 61.94 1.01 19.58 18.93 94.58 -111.60 76.98 16.83 99.90 0.00 0.09 0.97 0.99 97.99 0.03 0.01 0.00 0.00 0.00 73 L C C 33.80 16.83 9.92 26.60 122.23 136.01 -104.17 143.99 99.69 0.26 0.05 96.85 2.75 0.07 0.02 0.01 0.00 0.06 0.23 74 S C C 58.57 2.89 23.35 24.92 119.82 -124.17 -80.96 155.56 99.77 0.15 0.07 99.50 0.29 0.04 0.04 0.00 0.00 0.03 0.09 75 Y H H 66.89 19.08 13.08 31.29 92.04 -117.21 -58.92 -38.69 1.83 0.00 98.16 0.33 0.24 1.01 97.95 0.46 0.00 0.00 0.00 76 S H H 72.65 2.98 20.83 24.10 91.33 56.07 -63.26 -39.78 0.69 0.00 99.31 0.06 0.04 0.47 98.83 0.59 0.00 0.00 0.00 77 R H H 114.79 5.61 21.78 27.76 91.88 49.72 -65.79 -40.53 0.21 0.00 99.79 0.02 0.01 0.13 99.35 0.49 0.00 0.00 0.00 78 F H H 6.67 24.15 16.16 40.31 91.81 49.38 -64.23 -43.62 0.28 0.00 99.72 0.03 0.01 0.18 99.56 0.23 0.00 0.00 0.00 79 I H H 35.22 15.48 20.49 35.80 91.87 49.27 -63.93 -42.35 0.38 0.00 99.62 0.03 0.02 0.24 99.64 0.07 0.00 0.00 0.00 80 N H H 82.43 2.59 24.94 26.17 91.55 50.79 -63.37 -41.78 0.51 0.00 99.49 0.04 0.02 0.34 99.49 0.10 0.00 0.00 0.00 81 G H H 8.56 13.29 18.92 33.66 91.87 51.08 -63.49 -42.67 1.04 0.00 98.96 0.07 0.05 0.77 98.86 0.24 0.00 0.00 0.00 82 M H H 9.88 22.25 14.76 36.98 92.08 50.42 -64.42 -41.82 1.41 0.00 98.59 0.15 0.11 1.00 98.14 0.60 0.00 0.00 0.00 83 K H H 125.42 4.60 19.33 25.18 91.47 50.94 -63.36 -40.51 2.58 0.01 97.41 0.23 0.16 1.99 96.55 1.07 0.00 0.00 0.00 84 K H H 139.42 2.32 18.86 21.37 90.77 52.27 -65.39 -30.59 10.21 0.01 89.78 0.36 0.47 9.41 88.65 1.08 0.01 0.00 0.01 85 A C T 27.85 14.41 13.09 28.17 94.75 49.00 -89.63 1.78 82.87 0.04 17.10 0.75 2.48 79.00 16.63 1.08 0.00 0.01 0.05 86 N C T 132.61 1.31 20.30 20.68 94.01 -118.14 59.70 38.12 99.52 0.01 0.46 2.54 1.77 95.38 0.21 0.10 0.00 0.01 0.01 87 I C C 20.65 21.05 10.19 30.60 116.92 150.48 -100.58 127.31 98.49 1.17 0.33 96.06 2.07 0.60 0.11 0.14 0.00 0.70 0.32 88 T C C 96.00 2.67 23.99 26.38 110.37 -141.07 -90.63 117.80 96.08 3.71 0.21 93.45 2.54 0.63 0.07 0.09 0.00 2.49 0.72 89 I C C 18.27 23.52 10.64 33.33 125.98 172.03 -122.70 139.84 93.17 6.72 0.11 88.79 5.55 0.12 0.07 0.03 0.00 3.09 2.36 90 D C C 73.04 4.51 23.68 27.52 120.47 -130.40 -84.02 157.74 99.41 0.48 0.11 99.17 0.40 0.05 0.07 0.01 0.00 0.19 0.11 91 R H H 105.49 15.04 15.30 29.75 91.54 -108.79 -60.02 -36.83 1.27 0.00 98.73 0.17 0.15 0.70 98.75 0.21 0.00 0.00 0.00 92 R H H 137.78 4.60 21.57 26.98 91.66 54.56 -63.91 -40.83 0.55 0.00 99.45 0.05 0.04 0.37 99.28 0.27 0.00 0.00 0.00 93 V H H 33.66 12.88 20.94 34.26 91.99 48.95 -65.38 -42.15 0.31 0.00 99.69 0.03 0.02 0.20 99.45 0.30 0.00 0.00 0.00 94 L H H 7.20 23.30 19.24 42.25 91.39 50.28 -63.09 -42.92 0.16 0.00 99.84 0.02 0.01 0.09 99.82 0.07 0.00 0.00 0.00 95 A H H 16.44 15.22 21.38 37.08 91.34 51.09 -63.33 -41.79 0.35 0.00 99.65 0.04 0.02 0.19 99.71 0.04 0.00 0.00 0.00 96 D H H 60.05 6.36 25.71 32.61 91.61 50.90 -64.59 -41.15 0.64 0.00 99.36 0.08 0.04 0.37 99.44 0.07 0.00 0.00 0.00 97 I H H 14.60 17.32 20.63 38.41 91.58 50.55 -64.22 -42.61 0.59 0.00 99.40 0.07 0.05 0.35 99.37 0.16 0.00 0.00 0.00 98 A H H 9.75 20.61 17.19 37.75 91.74 51.43 -65.48 -36.26 1.08 0.00 98.91 0.16 0.08 0.70 98.75 0.32 0.00 0.00 0.00 99 M H H 91.17 9.11 20.41 29.57 94.36 48.17 -74.08 -35.01 4.76 0.01 95.24 0.13 0.20 4.40 94.85 0.41 0.00 0.00 0.00 100 H H H 116.73 4.39 19.53 24.48 101.23 31.55 -95.35 -26.34 14.15 0.02 85.83 0.28 1.27 12.24 85.84 0.34 0.01 0.00 0.01 101 D C C 61.09 9.23 16.61 26.72 115.94 15.67 -139.50 91.07 97.17 0.17 2.66 82.21 8.19 6.20 2.92 0.28 0.00 0.05 0.15 102 A H H 47.69 14.67 14.05 28.68 93.74 175.06 -62.23 -35.94 2.54 0.00 97.46 0.33 0.19 1.73 96.19 1.55 0.00 0.00 0.00 103 A H H 72.21 2.89 22.68 25.35 91.63 55.83 -63.84 -40.05 1.17 0.00 98.83 0.06 0.05 0.95 97.46 1.48 0.00 0.00 0.00 104 T H H 33.67 11.81 20.83 33.22 91.91 49.78 -65.41 -41.35 0.48 0.00 99.52 0.04 0.02 0.33 98.35 1.26 0.00 0.00 0.00 105 F H H 5.82 24.96 17.41 42.46 91.53 50.75 -63.46 -42.82 0.24 0.00 99.76 0.03 0.01 0.15 99.57 0.24 0.00 0.00 0.00 106 G H H 21.17 10.27 23.54 34.32 91.42 51.73 -62.67 -41.61 0.37 0.00 99.63 0.03 0.01 0.26 99.59 0.11 0.00 0.00 0.00 107 A H H 43.67 4.46 25.71 30.36 91.32 51.14 -63.66 -42.17 0.34 0.00 99.66 0.02 0.01 0.24 99.65 0.07 0.00 0.00 0.00 108 L H H 10.32 20.07 21.40 41.34 91.47 49.85 -64.10 -43.47 0.12 0.00 99.88 0.01 0.00 0.07 99.87 0.03 0.00 0.00 0.00 109 V H H 13.50 21.32 20.06 41.03 91.47 50.04 -63.31 -42.99 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 110 E H H 108.43 3.54 25.44 28.72 91.49 50.32 -63.43 -41.92 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 111 K H H 97.22 5.34 24.01 29.41 91.73 48.91 -64.90 -41.11 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 112 A H H 5.60 20.82 15.14 36.48 91.56 50.32 -64.06 -41.83 0.34 0.00 99.66 0.03 0.01 0.22 99.65 0.08 0.00 0.00 0.00 113 K H H 92.55 10.88 18.57 29.55 91.63 52.05 -62.79 -41.01 0.91 0.00 99.09 0.09 0.05 0.63 98.85 0.37 0.00 0.00 0.00 114 A H H 72.66 1.66 19.69 19.95 92.19 51.14 -65.35 -38.55 3.35 0.00 96.65 0.19 0.15 2.72 95.89 1.04 0.00 0.00 0.00 115 E H H 100.31 6.58 15.70 23.41 92.75 50.96 -70.33 -31.10 12.68 0.01 87.31 0.69 0.60 10.77 86.73 1.20 0.00 0.00 0.01 116 L H H 55.90 14.06 10.53 24.35 96.76 51.27 -82.19 -15.32 38.56 0.15 61.30 12.73 1.37 22.84 61.61 1.28 0.00 0.04 0.12 117 A C C 77.64 3.77 15.08 20.11 102.01 98.27 -67.24 44.76 99.90 0.01 0.08 99.71 0.08 0.13 0.06 0.00 0.00 0.00 0.00