# 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 92.68 9.36 11.70 21.94 114.73 -155.76 -92.41 131.44 99.96 0.03 0.01 99.80 0.16 0.02 0.00 0.00 0.00 0.01 0.01 1 N C C 82.11 3.95 14.14 19.20 116.09 -132.08 -87.06 142.04 98.70 0.05 1.25 98.00 0.41 0.37 1.13 0.04 0.00 0.01 0.03 2 P H H 76.62 7.88 10.82 20.07 92.46 -127.32 -59.96 -34.96 24.01 0.04 75.95 4.52 2.15 16.43 73.68 3.17 0.01 0.02 0.03 3 D H H 98.62 2.33 14.39 17.24 92.29 54.95 -65.86 -36.44 14.42 0.03 85.55 2.12 1.28 10.35 82.87 3.34 0.01 0.01 0.02 4 N H H 79.06 3.62 14.87 19.35 92.46 52.07 -65.67 -39.05 5.07 0.02 94.90 1.45 0.65 2.79 91.57 3.52 0.00 0.01 0.01 5 Y H H 77.32 10.39 13.59 24.98 92.20 52.08 -64.26 -40.95 2.11 0.01 97.88 0.52 0.22 1.20 96.80 1.24 0.00 0.01 0.00 6 L H H 73.07 7.85 16.13 24.94 91.77 50.49 -64.59 -41.08 0.87 0.00 99.12 0.17 0.07 0.52 98.71 0.52 0.00 0.00 0.00 7 Y H H 132.66 2.32 19.72 21.16 91.89 49.32 -64.79 -42.08 0.69 0.00 99.30 0.10 0.05 0.45 99.05 0.35 0.00 0.00 0.00 8 L H H 71.18 6.27 18.98 25.93 91.75 49.05 -64.71 -42.12 0.78 0.00 99.22 0.10 0.05 0.54 99.09 0.21 0.00 0.00 0.00 9 S H H 24.43 13.68 16.14 30.70 91.63 50.58 -63.92 -41.34 0.89 0.00 99.11 0.14 0.05 0.58 99.10 0.13 0.00 0.00 0.00 10 A H H 49.71 5.80 20.06 26.41 91.54 50.89 -63.80 -41.02 0.41 0.00 99.59 0.03 0.02 0.27 99.59 0.08 0.00 0.00 0.00 11 L H H 87.64 3.62 21.91 24.82 91.77 50.34 -64.48 -41.44 0.23 0.00 99.77 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 12 L H H 48.04 13.16 18.80 32.09 91.70 50.06 -64.36 -41.74 0.21 0.00 99.79 0.01 0.01 0.13 99.78 0.06 0.00 0.00 0.00 13 F H H 72.18 13.22 19.49 32.53 91.55 49.57 -64.33 -41.34 0.32 0.00 99.68 0.02 0.01 0.23 99.68 0.06 0.00 0.00 0.00 14 T H H 74.02 3.66 23.66 26.59 91.92 49.62 -64.58 -42.22 0.45 0.00 99.55 0.03 0.02 0.32 99.57 0.06 0.00 0.00 0.00 15 I H H 77.21 6.03 23.25 29.13 91.70 48.54 -64.62 -42.03 0.36 0.00 99.64 0.03 0.02 0.26 99.63 0.07 0.00 0.00 0.00 16 G H H 9.05 17.70 16.75 34.78 91.52 51.10 -63.54 -42.49 0.38 0.00 99.62 0.03 0.02 0.28 99.56 0.12 0.00 0.00 0.00 17 A H H 44.95 8.09 21.65 30.26 91.33 50.28 -63.36 -41.59 0.45 0.00 99.55 0.03 0.02 0.34 99.39 0.23 0.00 0.00 0.00 18 A H H 55.17 3.17 23.32 25.26 91.50 50.00 -64.14 -42.05 0.67 0.00 99.33 0.03 0.03 0.55 98.86 0.52 0.00 0.00 0.00 19 G H H 12.77 11.91 16.36 29.87 91.66 50.89 -64.04 -40.67 1.68 0.00 98.32 0.08 0.07 1.46 96.91 1.47 0.00 0.00 0.00 20 V H H 44.67 14.07 14.94 29.24 91.87 52.06 -65.32 -37.62 4.52 0.01 95.47 0.17 0.22 4.12 91.72 3.75 0.01 0.00 0.00 21 L H H 114.69 2.66 18.32 20.96 92.20 51.49 -70.56 -27.97 13.91 0.02 86.07 0.55 0.88 12.49 82.83 3.21 0.02 0.01 0.01 22 L H H 108.67 2.72 16.73 19.37 97.00 47.62 -87.82 -13.93 40.00 0.20 59.81 5.30 6.05 28.80 56.15 3.41 0.06 0.06 0.17 23 R C C 87.50 13.24 9.74 22.85 111.62 97.81 -83.11 110.33 91.94 0.54 7.52 71.67 6.20 13.73 6.39 1.37 0.00 0.20 0.44 24 R C C 172.97 2.18 16.07 18.84 98.74 -162.50 -91.63 -16.09 96.05 0.59 3.36 50.30 30.71 15.28 1.79 1.26 0.00 0.22 0.43 25 N C S 72.97 4.70 16.32 22.16 125.62 64.77 -113.88 150.58 96.16 2.22 1.61 40.16 54.12 1.45 1.34 0.24 0.00 0.33 2.36 26 A H H 58.22 9.18 13.86 24.07 92.76 -126.24 -60.93 -36.63 5.37 0.01 94.62 0.47 1.48 3.25 94.46 0.32 0.01 0.00 0.01 27 I H H 102.23 3.75 18.21 22.48 91.89 54.21 -64.30 -41.32 1.63 0.00 98.37 0.12 0.13 1.22 98.28 0.24 0.00 0.00 0.00 28 V H H 50.40 8.43 17.86 27.38 92.09 47.76 -65.94 -40.55 0.30 0.00 99.70 0.03 0.02 0.20 99.58 0.17 0.00 0.00 0.00 29 M H H 40.11 14.87 16.70 31.96 91.97 52.17 -62.96 -42.71 0.07 0.00 99.93 0.00 0.00 0.04 99.90 0.06 0.00 0.00 0.00 30 F H H 75.39 11.12 20.96 32.00 91.86 50.02 -64.04 -41.96 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 31 M H H 81.94 6.74 23.28 30.14 91.83 49.82 -64.71 -41.53 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 32 C H H 24.45 13.38 20.47 34.47 91.72 50.77 -63.71 -42.59 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 33 V H H 33.02 15.05 22.04 36.89 91.75 49.34 -63.78 -42.32 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 34 E H H 64.93 12.10 22.31 34.27 91.88 50.91 -64.09 -41.94 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.01 0.00 0.00 0.00 35 L H H 65.92 8.81 23.58 32.60 92.01 49.59 -64.62 -41.94 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 36 M H H 61.88 11.55 23.27 34.65 91.84 49.27 -64.58 -41.73 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 37 L H H 39.20 15.52 21.73 36.81 92.06 49.49 -64.53 -41.82 0.22 0.00 99.78 0.01 0.01 0.16 99.77 0.04 0.00 0.00 0.00 38 N H H 58.19 11.56 23.13 34.65 91.92 50.77 -64.76 -41.59 0.48 0.00 99.52 0.03 0.02 0.34 99.54 0.06 0.00 0.00 0.00 39 A H H 43.61 7.10 24.21 31.66 91.65 50.50 -64.16 -41.64 0.51 0.00 99.49 0.04 0.02 0.36 99.48 0.10 0.00 0.00 0.00 40 A H H 29.97 11.62 23.25 35.05 91.73 50.53 -64.16 -41.93 0.46 0.00 99.54 0.04 0.02 0.32 99.49 0.12 0.00 0.00 0.00 41 N H H 32.58 16.96 21.54 37.84 92.10 50.92 -63.72 -41.87 0.52 0.00 99.48 0.05 0.02 0.38 99.39 0.15 0.00 0.00 0.00 42 L H H 68.34 9.00 24.22 33.40 91.44 50.49 -63.85 -41.73 0.33 0.00 99.67 0.02 0.01 0.26 99.54 0.16 0.00 0.00 0.00 43 A H H 44.26 6.81 24.26 31.36 91.48 50.78 -63.69 -41.97 0.44 0.00 99.56 0.02 0.02 0.37 99.37 0.22 0.00 0.00 0.00 44 F H H 53.89 14.24 22.27 36.06 91.81 49.48 -64.56 -42.29 0.67 0.00 99.33 0.03 0.03 0.58 99.04 0.33 0.00 0.00 0.00 45 V H H 36.73 14.64 20.53 35.05 91.77 49.73 -63.93 -42.25 1.16 0.00 98.84 0.06 0.06 0.94 98.57 0.37 0.00 0.00 0.00 46 N H H 67.98 5.30 22.93 28.33 91.83 50.44 -63.67 -42.33 2.71 0.00 97.29 0.19 0.17 2.12 96.89 0.62 0.00 0.00 0.00 47 F H H 77.94 6.48 20.95 27.87 91.94 49.62 -64.50 -41.50 3.35 0.01 96.65 0.27 0.31 2.54 95.57 1.29 0.01 0.00 0.00 48 S H H 15.07 14.00 13.85 29.25 91.61 51.54 -64.09 -40.58 4.20 0.01 95.78 0.55 0.41 2.98 93.57 2.47 0.01 0.00 0.00 49 R H H 129.21 6.13 16.35 23.53 91.91 50.86 -65.51 -39.15 6.47 0.02 93.51 0.64 0.55 5.06 90.28 3.43 0.02 0.01 0.01 50 M H H 128.06 2.15 16.32 18.51 94.14 49.06 -71.09 -34.81 13.22 0.03 86.75 0.81 1.21 11.14 84.07 2.71 0.03 0.01 0.02 51 H C T 116.27 3.67 13.76 18.41 97.86 34.56 -96.00 -4.79 54.92 0.12 44.96 2.51 5.67 45.40 43.88 2.36 0.03 0.04 0.11 52 G C T 55.05 2.93 14.31 18.58 95.23 -116.10 71.72 22.55 98.99 0.07 0.94 23.24 6.64 69.31 0.45 0.29 0.00 0.03 0.04 53 Q C C 79.14 7.37 12.63 21.65 111.74 147.26 -98.80 111.15 97.36 0.37 2.27 90.56 5.18 1.70 1.62 0.47 0.00 0.11 0.35 54 L H H 100.52 6.03 15.99 23.17 94.69 -154.53 -66.06 -32.37 36.97 0.20 62.83 11.91 8.01 18.02 56.76 5.06 0.03 0.07 0.14 55 D H H 83.62 4.63 19.75 24.83 92.60 59.55 -65.48 -37.40 21.56 0.08 78.36 4.27 2.94 14.04 74.07 4.57 0.02 0.03 0.05 56 G H H 10.51 14.90 14.88 30.84 91.87 53.65 -64.32 -37.65 8.10 0.04 91.86 2.42 1.09 4.34 87.68 4.43 0.00 0.02 0.02 57 Q H H 69.87 10.88 19.13 30.22 92.05 53.76 -64.28 -40.44 2.68 0.01 97.30 0.71 0.32 1.46 95.56 1.94 0.00 0.01 0.00 58 V H H 71.51 4.99 22.48 27.03 92.32 50.43 -64.50 -42.49 1.43 0.01 98.56 0.32 0.14 0.84 97.85 0.84 0.00 0.00 0.00 59 V H H 54.36 9.15 20.96 30.71 91.75 49.68 -64.47 -42.14 0.75 0.00 99.25 0.15 0.06 0.43 98.98 0.39 0.00 0.00 0.00 60 A H H 18.72 15.64 17.03 33.16 91.59 51.32 -63.46 -41.98 0.48 0.00 99.52 0.08 0.03 0.28 99.33 0.29 0.00 0.00 0.00 61 F H H 101.03 6.37 22.41 28.88 91.77 50.05 -64.38 -41.85 0.41 0.00 99.59 0.06 0.02 0.26 99.43 0.23 0.00 0.00 0.00 62 F H H 97.88 6.28 22.07 28.35 92.02 49.39 -64.64 -42.13 0.31 0.00 99.69 0.04 0.01 0.19 99.63 0.12 0.00 0.00 0.00 63 T H H 32.97 14.45 18.61 33.19 92.10 50.25 -64.75 -41.58 0.29 0.00 99.71 0.04 0.01 0.18 99.71 0.06 0.00 0.00 0.00 64 M H H 72.18 11.09 20.87 31.87 91.85 49.53 -64.24 -41.36 0.26 0.00 99.74 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 65 V H H 72.30 5.19 23.19 28.08 91.84 48.68 -64.39 -42.61 0.23 0.00 99.77 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 66 V H H 50.18 10.09 21.49 31.95 91.87 48.52 -64.72 -42.27 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 67 A H H 23.70 13.77 19.30 33.52 91.62 51.31 -63.02 -41.70 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 68 A H H 49.07 6.08 23.16 29.06 91.50 50.47 -63.65 -41.65 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 69 C H H 50.74 6.66 22.17 29.16 91.77 49.70 -64.31 -41.60 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 70 E H H 57.35 12.91 20.04 32.89 92.02 50.63 -64.33 -41.45 0.18 0.00 99.82 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 71 V H H 58.29 9.82 21.09 31.03 91.81 49.59 -63.84 -42.17 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.03 0.00 0.00 0.00 72 V H H 76.20 4.56 22.97 26.94 91.83 49.15 -64.56 -42.47 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.03 0.00 0.00 0.00 73 V H H 60.20 7.92 21.23 29.34 91.79 48.46 -64.42 -42.07 0.27 0.00 99.73 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 74 G H H 17.22 11.94 18.08 30.75 91.68 51.05 -63.42 -42.09 0.40 0.00 99.60 0.03 0.01 0.27 99.63 0.06 0.00 0.00 0.00 75 L H H 78.41 5.88 21.28 27.26 91.73 50.11 -64.47 -41.37 0.24 0.00 99.76 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 76 A H H 47.47 5.46 20.09 25.82 91.61 50.67 -63.98 -41.68 0.17 0.00 99.83 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 77 I H H 66.45 8.69 19.14 28.38 91.96 49.59 -64.65 -41.85 0.19 0.00 99.81 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 78 I H H 68.56 8.19 18.92 27.60 91.67 49.88 -63.68 -42.08 0.24 0.00 99.76 0.02 0.01 0.14 99.76 0.06 0.00 0.00 0.00 79 M H H 88.87 4.19 19.45 23.80 91.87 49.83 -64.10 -41.27 0.39 0.00 99.61 0.04 0.02 0.24 99.61 0.10 0.00 0.00 0.00 80 A H H 40.60 5.86 16.92 24.11 91.65 50.87 -63.81 -41.50 0.92 0.00 99.07 0.11 0.05 0.61 98.98 0.25 0.00 0.00 0.00 81 I H H 67.47 6.75 16.42 24.26 91.95 49.87 -64.61 -41.77 1.70 0.01 98.29 0.22 0.12 1.17 98.05 0.45 0.00 0.00 0.00 82 F H H 101.26 4.45 16.00 21.17 92.08 49.90 -64.93 -41.01 3.08 0.03 96.89 0.64 0.34 1.87 96.35 0.77 0.00 0.01 0.01 83 R H H 132.71 3.09 15.43 19.03 92.43 49.80 -66.36 -39.02 6.91 0.05 93.04 1.46 0.79 4.35 92.08 1.28 0.01 0.02 0.02 84 T H H 72.52 4.78 13.82 19.69 93.44 49.27 -70.38 -34.28 13.36 0.09 86.54 2.92 1.78 8.32 85.06 1.82 0.02 0.04 0.05 85 R H H 140.01 3.94 13.59 18.46 95.29 53.98 -72.81 -26.15 25.09 0.26 74.65 8.02 4.58 12.97 71.87 2.30 0.02 0.10 0.14 86 R H H 153.42 2.98 12.93 17.00 99.35 59.10 -78.52 -14.66 45.49 0.55 53.97 19.45 8.15 18.06 51.08 2.72 0.02 0.21 0.30 87 S C H 67.98 4.32 11.64 17.46 103.97 68.49 -84.98 11.68 60.25 0.98 38.77 34.94 8.94 15.91 35.30 3.95 0.01 0.42 0.54 88 A C C 66.60 4.89 11.38 17.73 101.44 101.95 -79.87 -12.27 64.88 1.19 33.92 32.27 15.82 16.87 28.73 5.16 0.02 0.51 0.62 89 S C C 68.16 3.74 12.58 17.63 107.32 66.60 -85.79 88.35 70.45 1.50 28.06 44.66 11.47 13.59 23.86 4.96 0.00 0.73 0.72 90 V C H 84.46 5.87 10.59 17.95 100.11 94.67 -75.11 -29.80 56.29 1.33 42.38 30.87 12.08 14.27 35.09 6.41 0.02 0.60 0.66 91 D C H 94.85 2.83 12.78 16.58 96.88 60.11 -71.48 -31.68 59.37 0.74 39.89 32.07 10.42 17.16 33.49 6.11 0.01 0.32 0.42 92 D C H 89.94 3.16 11.93 16.27 96.87 53.62 -72.24 -27.75 49.88 0.58 49.54 25.45 10.75 14.66 39.74 8.78 0.02 0.24 0.35 93 A H H 60.82 3.77 10.39 15.88 94.88 61.19 -67.44 -32.06 38.35 0.39 61.26 12.61 7.81 18.16 47.34 13.62 0.04 0.17 0.25 94 N H H 97.39 2.83 10.99 15.13 95.30 56.72 -71.95 -26.02 37.92 0.63 61.45 13.89 6.66 17.33 45.86 15.57 0.05 0.31 0.35 95 L H H 103.55 3.10 9.39 14.08 96.32 62.74 -73.64 -24.90 36.92 1.17 61.91 15.37 7.18 14.51 44.00 17.73 0.07 0.60 0.54 96 L H H 118.35 2.32 8.65 12.41 100.25 65.68 -80.38 -8.24 47.17 1.96 50.87 22.34 8.48 17.53 36.62 13.01 0.07 1.02 0.93 97 K C C 152.74 1.62 8.72 11.56 104.57 79.18 -86.86 54.85 68.57 1.07 30.36 48.09 2.54 18.83 23.66 5.72 0.00 0.56 0.60 98 H C C 139.79 3.14 10.21 15.01 107.78 -128.62 -87.74 94.33 99.95 0.02 0.04 99.81 0.07 0.09 0.02 0.00 0.00 0.01 0.00