# 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 99.56 5.63 12.98 19.75 106.29 139.12 -82.70 85.33 99.87 0.04 0.09 99.81 0.06 0.05 0.06 0.00 0.00 0.01 0.01 1 A H H 60.56 4.23 10.72 16.39 98.59 77.28 -68.15 -36.23 36.81 0.17 63.02 33.25 0.63 3.21 61.92 0.86 0.00 0.06 0.08 2 Q H H 122.39 1.72 10.97 13.39 94.11 57.99 -66.32 -38.43 8.30 0.04 91.66 3.43 1.19 3.51 90.69 1.15 0.00 0.01 0.02 3 F H H 127.43 2.06 11.67 14.49 92.87 51.39 -66.36 -40.00 3.90 0.03 96.07 1.58 0.53 1.81 94.78 1.28 0.00 0.02 0.01 4 V H H 79.45 3.22 12.37 16.58 92.73 50.26 -65.69 -40.68 2.06 0.02 97.92 0.83 0.27 0.92 97.12 0.84 0.00 0.01 0.00 5 R H H 132.51 2.17 13.94 16.52 92.25 51.03 -64.79 -40.68 1.60 0.01 98.39 0.56 0.18 0.75 98.08 0.42 0.00 0.00 0.00 6 N H H 84.88 2.38 14.26 17.14 92.30 50.20 -65.30 -39.99 2.06 0.01 97.94 0.51 0.19 1.18 97.65 0.46 0.00 0.00 0.00 7 L H H 84.39 4.12 13.73 18.93 92.19 51.03 -65.00 -40.27 1.43 0.00 98.57 0.24 0.11 0.91 98.14 0.59 0.00 0.00 0.00 8 A H H 59.09 3.87 14.29 19.06 92.34 51.29 -65.62 -38.63 2.05 0.00 97.95 0.19 0.12 1.53 96.98 1.17 0.00 0.00 0.00 9 E H H 126.97 1.76 15.97 17.42 92.71 50.84 -68.95 -34.12 13.60 0.01 86.40 0.30 0.39 13.20 84.64 1.47 0.01 0.00 0.00 10 K H H 112.32 3.93 15.03 19.84 94.85 48.49 -79.81 -22.61 21.79 0.01 78.20 0.56 0.90 20.24 76.96 1.32 0.01 0.00 0.01 11 A H H 42.63 7.64 12.84 22.04 92.64 71.31 -61.04 -43.14 3.30 0.00 96.70 1.22 0.41 1.39 95.24 1.74 0.00 0.00 0.00 12 P H H 74.95 3.28 16.30 20.15 92.05 50.55 -64.03 -39.42 1.38 0.00 98.62 0.31 0.10 0.77 96.77 2.05 0.00 0.00 0.00 13 A H H 63.21 2.34 16.92 19.05 92.30 50.75 -65.45 -40.10 0.68 0.00 99.32 0.13 0.05 0.39 97.58 1.85 0.00 0.00 0.00 14 L H H 85.53 4.62 15.98 21.36 92.36 50.02 -65.69 -40.91 0.77 0.00 99.23 0.15 0.06 0.45 98.55 0.78 0.00 0.00 0.00 15 V H H 70.38 5.68 15.66 22.06 91.95 49.67 -64.52 -41.44 0.97 0.00 99.03 0.18 0.08 0.56 98.93 0.26 0.00 0.00 0.00 16 N H H 91.80 2.54 17.51 20.08 92.04 50.32 -64.58 -40.12 1.46 0.00 98.54 0.21 0.09 0.92 98.48 0.30 0.00 0.00 0.00 17 A H H 53.83 3.03 16.30 19.87 92.09 51.41 -64.30 -40.73 1.88 0.00 98.12 0.24 0.13 1.26 97.89 0.48 0.00 0.00 0.00 18 A H H 48.31 5.54 15.19 21.84 92.22 50.52 -64.74 -40.21 2.38 0.01 97.61 0.37 0.20 1.56 97.02 0.84 0.01 0.00 0.00 19 V H H 73.77 5.20 15.11 21.21 92.64 49.59 -66.40 -39.35 3.48 0.02 96.50 0.63 0.33 2.30 94.49 2.23 0.01 0.01 0.01 20 T H H 83.78 2.30 16.35 18.63 93.19 50.63 -67.65 -38.69 6.77 0.04 93.19 0.85 0.57 5.15 89.43 3.95 0.02 0.02 0.02 21 Y H H 145.46 2.65 15.49 18.38 94.80 47.32 -73.74 -31.66 18.66 0.07 81.27 1.56 1.56 15.26 77.80 3.71 0.04 0.03 0.04 22 S H H 48.35 7.69 12.38 21.18 95.97 56.97 -73.62 -27.17 33.66 0.19 66.15 7.03 5.91 21.50 61.51 3.80 0.05 0.07 0.14 23 K H H 117.23 4.29 14.70 20.18 95.27 74.20 -66.86 -39.67 27.92 0.24 71.84 14.91 6.15 7.49 65.66 5.57 0.01 0.10 0.12 24 P H H 78.13 3.14 15.20 18.90 94.37 50.80 -66.26 -37.62 22.54 0.26 77.21 13.06 2.63 7.39 70.88 5.79 0.01 0.14 0.11 25 R H H 127.50 4.39 15.00 20.31 93.90 52.84 -66.61 -38.75 13.77 0.30 85.93 7.42 1.90 5.09 78.20 7.09 0.01 0.18 0.10 26 L H H 79.57 5.55 14.67 21.21 92.71 52.04 -65.06 -40.35 10.20 0.28 89.52 6.10 1.59 3.38 84.07 4.61 0.01 0.17 0.09 27 A H H 53.99 3.33 15.52 19.77 92.38 52.16 -64.50 -39.70 8.92 0.26 90.83 4.76 1.20 3.45 86.76 3.58 0.01 0.15 0.08 28 T H H 64.98 3.97 15.49 20.48 92.38 50.79 -65.38 -40.94 7.96 0.18 91.86 3.28 1.08 3.79 88.17 3.50 0.02 0.11 0.06 29 F H H 94.29 6.01 14.45 21.53 92.18 50.77 -64.70 -41.14 4.74 0.10 95.16 1.71 0.62 2.42 91.33 3.82 0.01 0.07 0.02 30 W H H 132.60 4.03 14.87 19.88 92.48 51.42 -64.98 -40.28 3.87 0.11 96.03 1.27 0.51 2.09 90.72 5.30 0.01 0.08 0.02 31 Y H H 132.20 2.62 15.11 18.20 92.64 50.79 -65.81 -39.56 5.47 0.11 94.42 1.19 0.62 3.55 88.77 5.75 0.02 0.08 0.03 32 Y H H 117.10 5.10 13.37 19.69 93.58 47.47 -70.93 -33.49 9.79 0.19 90.01 2.01 1.21 6.65 84.17 5.71 0.05 0.12 0.07 33 A H H 52.34 7.47 11.52 20.40 93.69 59.98 -69.55 -26.10 27.43 0.49 72.08 4.84 3.59 19.48 67.29 4.21 0.11 0.26 0.23 34 K C H 147.61 1.89 14.69 16.96 95.39 56.05 -79.88 -13.23 52.65 1.01 46.34 8.48 6.73 36.59 42.64 4.51 0.11 0.53 0.42 35 V C C 78.36 6.40 10.98 19.00 112.11 86.93 -88.06 127.82 72.81 5.68 21.51 37.23 21.17 13.75 18.93 3.74 0.06 3.87 1.25 36 E C C 126.38 4.08 13.74 19.23 112.98 -142.15 -91.91 123.90 73.65 16.89 9.45 59.88 5.95 6.82 7.79 2.43 0.01 14.44 2.67 37 L C C 88.38 9.87 10.45 21.21 114.73 -156.54 -93.41 127.05 70.79 26.48 2.73 61.01 6.77 2.11 1.93 1.00 0.01 16.39 10.80 38 V C C 95.21 3.75 16.38 21.33 121.79 -166.95 -114.49 135.62 81.90 17.87 0.24 71.27 11.06 0.36 0.14 0.12 0.00 11.99 5.06 39 P C C 79.08 8.77 13.85 23.84 115.24 -104.45 -65.65 146.85 99.29 0.71 0.01 97.33 2.04 0.05 0.00 0.01 0.00 0.48 0.09 40 P C C 38.87 14.96 9.98 25.08 116.22 -108.04 -67.59 151.32 99.52 0.41 0.06 98.08 1.43 0.09 0.02 0.02 0.00 0.13 0.23 41 T C C 79.44 2.24 18.07 19.57 120.26 -115.60 -80.81 160.69 99.75 0.14 0.11 98.18 1.50 0.11 0.05 0.02 0.00 0.03 0.12 42 P H G 95.95 5.56 11.06 18.56 91.65 -107.87 -58.00 -34.55 16.52 0.08 83.41 2.27 1.76 11.54 6.46 77.90 0.00 0.04 0.02 43 A H G 87.75 1.05 14.38 14.74 90.95 59.70 -67.80 -23.62 16.61 0.05 83.34 1.03 1.23 13.59 6.76 77.35 0.00 0.03 0.02 44 E H G 86.50 7.20 13.41 22.02 94.35 51.55 -85.63 -14.85 11.84 0.07 88.10 1.96 1.25 7.96 13.42 75.34 0.00 0.04 0.02 45 I H H 37.21 16.91 10.80 27.43 92.35 77.86 -60.66 -43.63 1.90 0.00 98.09 0.70 0.29 0.66 97.85 0.50 0.00 0.00 0.00 46 P H H 73.37 3.78 17.95 22.37 91.60 51.33 -63.34 -39.74 0.66 0.00 99.34 0.19 0.04 0.30 99.16 0.31 0.00 0.00 0.00 47 T H H 82.44 1.89 20.47 20.90 91.88 49.62 -65.37 -40.87 0.20 0.00 99.80 0.04 0.01 0.10 99.63 0.22 0.00 0.00 0.00 48 A H H 21.14 12.43 15.89 29.66 91.97 50.23 -64.59 -41.92 0.18 0.00 99.82 0.03 0.01 0.09 99.77 0.10 0.00 0.00 0.00 49 I H H 50.46 12.55 17.17 30.26 91.97 49.58 -63.82 -41.95 0.25 0.00 99.75 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 50 Q H H 100.97 2.27 21.33 22.50 91.67 50.52 -63.77 -41.87 0.34 0.00 99.66 0.03 0.01 0.20 99.71 0.04 0.00 0.00 0.00 51 S H H 47.87 4.53 19.48 24.60 91.87 50.08 -64.75 -40.98 0.96 0.00 99.04 0.07 0.03 0.68 99.14 0.08 0.00 0.00 0.00 52 L H H 33.29 15.28 15.52 31.23 91.99 50.58 -64.45 -40.86 0.83 0.00 99.17 0.10 0.04 0.50 99.27 0.09 0.00 0.00 0.00 53 K H H 103.61 6.86 19.13 26.85 91.70 52.32 -63.29 -40.46 0.68 0.00 99.32 0.10 0.04 0.38 99.39 0.09 0.00 0.00 0.00 54 K H H 126.66 1.94 21.40 22.15 91.85 50.67 -65.19 -40.44 1.03 0.00 98.97 0.12 0.07 0.67 98.99 0.15 0.00 0.00 0.00 55 I H H 54.30 10.04 17.89 28.94 92.25 49.74 -65.07 -42.31 1.23 0.01 98.76 0.25 0.11 0.71 98.75 0.19 0.00 0.00 0.00 56 I H H 44.80 12.64 16.53 29.90 92.10 49.34 -64.34 -41.68 1.37 0.01 98.62 0.33 0.14 0.75 98.47 0.29 0.00 0.01 0.00 57 N H H 88.22 2.77 20.43 22.66 91.99 50.32 -64.57 -40.37 3.05 0.02 96.93 0.46 0.29 2.14 96.36 0.73 0.01 0.01 0.01 58 S H H 44.94 4.46 16.75 22.50 92.20 50.87 -64.92 -38.74 6.03 0.03 93.94 0.87 0.61 4.37 92.50 1.60 0.02 0.01 0.01 59 A H H 30.80 13.08 12.26 26.02 92.78 53.03 -66.94 -34.67 9.98 0.06 89.96 1.75 1.11 7.07 86.47 3.50 0.03 0.03 0.03 60 K H H 137.09 3.76 15.59 20.66 93.36 55.04 -71.16 -28.80 18.69 0.10 81.21 1.84 1.92 14.95 78.20 2.93 0.06 0.04 0.06 61 T H H 98.97 1.53 15.30 16.11 99.20 47.64 -89.01 -8.47 48.73 0.23 51.04 2.92 7.17 38.00 49.11 2.45 0.09 0.07 0.18 62 G C T 46.77 4.94 12.50 18.90 100.03 -107.82 80.68 8.12 95.64 0.33 4.03 16.78 26.24 52.93 1.81 1.87 0.00 0.14 0.22 63 S C C 56.35 4.43 14.43 20.08 102.51 115.03 -93.64 36.58 87.50 1.06 11.44 70.14 8.56 8.18 3.18 8.71 0.00 0.47 0.75 64 F H G 65.61 16.24 9.69 25.03 93.88 127.34 -67.82 -24.89 30.27 0.74 68.98 10.89 4.94 13.62 3.08 66.87 0.00 0.43 0.17 65 K H G 151.30 2.55 15.52 19.17 91.54 69.19 -67.37 -21.27 29.60 0.23 70.18 2.09 3.21 22.26 2.21 70.02 0.00 0.12 0.07 66 Q H G 137.29 1.43 16.20 17.16 94.90 54.56 -89.91 -3.65 30.87 0.28 68.85 2.74 3.68 22.30 1.79 69.25 0.00 0.15 0.09 67 L C S 38.66 16.19 7.17 22.52 118.97 99.50 -84.06 143.02 98.24 1.46 0.30 44.43 53.65 0.24 0.17 0.08 0.00 0.32 1.12 68 T C C 72.16 2.27 18.71 20.13 122.00 -124.64 -81.23 164.25 92.92 6.88 0.20 92.94 0.69 0.04 0.15 0.02 0.00 1.21 4.95 69 V H H 95.97 6.51 13.31 21.18 91.47 -102.75 -58.21 -39.33 1.15 0.00 98.85 0.16 0.14 0.70 98.64 0.36 0.00 0.00 0.00 70 K H H 134.40 2.11 18.09 20.02 91.52 52.58 -64.34 -40.28 0.57 0.00 99.43 0.05 0.03 0.39 99.15 0.37 0.00 0.00 0.00 71 E H H 67.73 9.59 16.92 27.48 91.95 48.14 -66.50 -39.42 0.24 0.00 99.76 0.03 0.01 0.15 99.46 0.35 0.00 0.00 0.00 72 A H H 19.44 15.42 15.05 31.22 91.33 52.62 -62.24 -42.38 0.12 0.00 99.88 0.01 0.01 0.07 99.84 0.08 0.00 0.00 0.00 73 L H H 83.84 5.61 22.35 27.60 91.51 50.09 -64.03 -41.77 0.36 0.00 99.64 0.03 0.01 0.25 99.64 0.06 0.00 0.00 0.00 74 L H H 71.46 6.86 23.11 30.24 91.77 49.25 -64.43 -42.03 0.34 0.00 99.66 0.02 0.01 0.25 99.66 0.05 0.00 0.00 0.00 75 N H H 28.84 16.67 20.02 36.41 91.57 50.10 -63.82 -41.51 0.39 0.00 99.61 0.04 0.02 0.26 99.63 0.06 0.00 0.00 0.00 76 G H H 20.05 12.49 21.57 34.32 91.47 51.59 -63.47 -41.03 0.57 0.00 99.43 0.04 0.02 0.42 99.47 0.05 0.00 0.00 0.00 77 L H H 77.81 6.04 25.21 31.02 91.75 49.81 -64.44 -42.17 0.24 0.00 99.76 0.01 0.01 0.17 99.77 0.03 0.00 0.00 0.00 78 V H H 41.21 11.77 23.44 35.56 91.69 48.91 -64.23 -42.80 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 79 A H H 17.21 16.12 20.80 37.11 91.46 51.03 -62.71 -42.86 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 80 T H H 50.86 8.74 24.01 32.70 91.58 49.89 -64.37 -41.61 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 81 E H H 72.50 8.78 23.80 32.72 91.72 50.20 -64.67 -41.78 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 82 V H H 29.27 14.84 20.86 35.82 91.69 49.99 -64.50 -42.73 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 83 W H H 87.52 12.18 21.98 34.06 91.54 50.23 -63.07 -42.04 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.02 0.00 0.00 0.00 84 M H H 76.04 8.14 22.41 30.42 91.83 50.22 -64.68 -41.62 0.11 0.00 99.89 0.00 0.00 0.10 99.85 0.04 0.00 0.00 0.00 85 W H H 96.76 10.28 22.05 32.48 92.05 49.33 -64.86 -42.00 0.14 0.00 99.86 0.00 0.00 0.14 99.77 0.08 0.00 0.00 0.00 86 F H H 54.20 14.43 20.60 34.79 92.53 49.48 -65.16 -42.02 0.32 0.00 99.68 0.01 0.01 0.30 99.56 0.12 0.00 0.00 0.00 87 Y H H 79.82 10.77 22.13 32.92 92.31 49.49 -64.99 -42.70 1.08 0.00 98.91 0.05 0.06 0.97 98.66 0.24 0.01 0.00 0.00 88 V H H 57.41 7.94 22.91 31.06 92.01 48.79 -64.62 -42.19 1.64 0.01 98.35 0.12 0.14 1.38 97.69 0.66 0.01 0.00 0.00 89 G H H 14.40 11.19 19.74 32.28 91.72 50.98 -63.86 -41.92 2.85 0.01 97.14 0.26 0.23 2.23 95.79 1.47 0.01 0.01 0.01 90 E H H 55.46 11.06 19.76 31.46 92.19 50.34 -65.42 -40.70 5.87 0.07 94.06 0.51 0.51 4.92 91.43 2.53 0.06 0.03 0.02 91 I H H 61.82 7.99 19.40 28.04 92.62 48.47 -65.96 -41.30 9.67 0.31 90.03 1.19 1.23 7.70 87.18 2.26 0.16 0.16 0.11 92 I H H 77.76 6.69 18.34 25.73 93.37 48.25 -67.94 -38.38 22.93 2.54 74.53 3.64 4.40 16.73 68.21 3.36 1.25 1.28 1.13 93 G H H 27.94 9.80 14.67 25.51 94.84 51.52 -70.68 -31.37 47.56 2.23 50.21 8.78 7.86 31.87 43.38 5.30 0.54 1.09 1.19 94 K C T 110.42 6.80 14.97 22.53 97.27 53.20 -79.44 -12.79 62.76 2.61 34.64 9.58 13.81 38.92 25.80 8.62 0.44 1.26 1.60 95 R C T 159.26 3.71 15.55 20.11 97.63 -68.01 53.34 20.92 73.60 2.27 24.13 11.10 16.93 45.43 14.89 8.86 0.16 1.09 1.53 96 G C T 35.17 7.75 13.49 22.36 113.38 2.90 66.29 147.88 85.26 3.26 11.47 26.06 23.58 36.47 4.52 6.17 0.02 1.61 1.56 97 I C S 93.08 8.06 12.27 21.17 100.88 -28.42 -82.42 -17.40 81.26 6.96 11.78 22.02 30.76 29.27 4.29 6.49 0.10 3.21 3.86 98 I C T 104.91 5.35 12.89 19.44 104.22 39.72 -90.62 35.03 83.86 5.61 10.53 11.11 20.06 52.72 3.57 6.44 0.10 2.92 3.09 99 G C T 51.25 3.67 13.82 18.61 100.04 -51.23 83.46 1.38 91.91 2.72 5.38 23.15 21.91 47.28 1.35 3.73 0.00 1.53 1.04 100 Y C C 107.55 8.73 9.81 19.75 110.71 112.01 -91.76 113.09 88.63 7.90 3.47 66.16 14.21 7.81 1.21 2.27 0.00 3.90 4.44 101 D C C 106.67 3.21 13.51 18.21 106.59 -149.60 -86.04 93.94 93.48 5.27 1.25 88.39 2.74 2.64 0.48 0.59 0.00 2.96 2.20 102 V C C 68.34 11.67 11.39 23.42 109.28 126.92 -94.76 104.06 99.88 0.11 0.01 99.79 0.05 0.07 0.00 0.00 0.00 0.05 0.03