# 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 97.11 8.76 13.49 23.18 119.34 -163.63 -101.39 132.68 99.91 0.08 0.01 99.86 0.07 0.02 0.00 0.00 0.00 0.04 0.01 1 E C C 134.82 3.49 13.60 18.80 114.50 -143.10 -92.89 127.02 91.46 7.01 1.54 90.01 1.08 1.28 0.92 0.38 0.00 3.68 2.65 2 L C C 75.70 11.35 9.52 21.38 116.41 -140.78 -92.55 134.28 92.00 4.89 3.12 80.84 8.97 2.37 1.71 1.28 0.00 3.48 1.34 3 P C C 76.36 6.15 14.51 22.04 110.17 -114.81 -69.25 143.41 87.81 4.74 7.45 68.62 10.32 8.99 3.08 4.19 0.00 3.62 1.17 4 I C C 95.20 9.58 12.80 23.02 113.31 -139.03 -93.08 126.83 80.91 8.48 10.61 54.20 16.36 10.53 4.87 5.66 0.01 5.33 3.04 5 L C C 71.72 11.25 12.53 24.38 117.43 -142.99 -99.14 136.60 79.97 9.30 10.73 61.85 12.29 5.52 6.35 4.63 0.01 6.16 3.19 6 K C C 124.01 6.04 16.04 23.33 112.06 -119.51 -79.74 134.08 82.50 6.26 11.24 70.59 7.14 4.41 8.64 2.99 0.00 4.43 1.81 7 T C C 68.96 10.93 13.56 24.69 111.61 -157.54 -96.05 121.19 76.97 2.91 20.12 49.51 17.48 9.14 18.14 3.11 0.01 1.52 1.08 8 N C C 82.61 7.48 17.36 25.26 107.23 -102.96 -83.58 84.13 67.64 1.68 30.68 43.72 13.72 9.02 29.57 2.53 0.01 0.74 0.70 9 A H H 37.03 13.56 17.12 30.55 95.30 75.08 -67.25 -36.43 16.01 0.36 83.63 9.93 3.26 3.51 81.94 1.07 0.01 0.16 0.12 10 I H H 41.51 17.25 17.74 34.28 93.27 52.84 -65.77 -41.10 5.10 0.21 94.69 2.86 0.82 1.71 93.83 0.63 0.00 0.11 0.04 11 T H H 52.54 10.70 20.84 31.46 92.17 51.46 -65.12 -40.69 2.03 0.12 97.85 1.23 0.28 0.69 97.31 0.39 0.00 0.08 0.02 12 T H H 46.71 10.31 22.07 32.64 92.31 51.01 -65.58 -41.77 0.64 0.02 99.34 0.31 0.07 0.25 99.21 0.14 0.00 0.01 0.00 13 I H H 21.10 19.78 20.53 39.80 92.46 50.12 -64.94 -42.82 0.32 0.01 99.67 0.13 0.03 0.14 99.63 0.06 0.00 0.00 0.00 14 L H H 37.87 16.86 22.37 38.61 91.98 50.66 -63.59 -42.47 0.22 0.00 99.77 0.07 0.02 0.11 99.76 0.04 0.00 0.00 0.00 15 A H H 43.34 8.02 24.59 32.88 91.62 50.37 -64.04 -42.17 0.21 0.00 99.78 0.05 0.02 0.11 99.78 0.03 0.00 0.00 0.00 16 A H H 23.82 13.69 22.81 36.69 91.75 50.25 -64.70 -42.01 0.24 0.00 99.75 0.04 0.02 0.14 99.75 0.04 0.00 0.00 0.00 17 V H H 15.22 21.20 21.00 41.67 91.57 50.05 -64.43 -42.30 0.44 0.00 99.55 0.06 0.03 0.28 99.54 0.09 0.00 0.00 0.00 18 T H H 44.75 12.84 22.48 34.99 91.79 50.71 -64.17 -41.09 1.13 0.01 98.86 0.13 0.07 0.79 98.77 0.23 0.00 0.00 0.00 19 L H H 72.95 7.30 23.17 30.64 91.99 50.24 -65.76 -40.91 3.39 0.02 96.59 0.44 0.28 2.49 96.01 0.75 0.01 0.01 0.01 20 C H H 22.41 16.06 18.46 34.70 92.62 49.48 -66.93 -38.97 10.44 0.11 89.46 1.69 1.06 7.65 87.98 1.49 0.03 0.05 0.04 21 F H H 50.58 16.97 17.12 33.48 93.19 52.14 -70.54 -32.68 21.14 0.39 78.47 5.01 3.33 13.64 75.24 2.34 0.07 0.18 0.19 22 A H H 63.82 6.32 18.18 25.08 95.14 55.70 -76.97 -18.66 37.67 0.94 61.40 12.81 7.79 18.51 57.25 2.68 0.08 0.40 0.47 23 S C H 59.70 7.29 14.52 22.89 103.49 71.37 -82.92 4.78 63.03 1.43 35.55 25.95 11.87 25.56 31.35 3.93 0.03 0.61 0.71 24 S C C 67.37 7.59 13.63 22.24 104.63 79.54 -88.82 44.07 78.47 1.73 19.80 38.45 13.44 26.90 14.60 4.92 0.01 0.82 0.87 25 Q C C 106.97 6.81 14.34 22.32 107.00 140.53 -93.05 67.60 85.42 2.93 11.65 36.65 27.47 22.20 6.16 4.76 0.01 1.56 1.18 26 N C C 108.85 4.52 17.67 23.13 103.42 -116.46 -82.86 75.73 87.65 6.42 5.92 55.89 18.13 14.00 2.67 3.07 0.00 4.52 1.72 27 I C C 30.22 19.97 9.69 28.62 114.46 158.86 -94.35 127.67 87.16 10.69 2.15 78.66 7.32 1.05 1.75 0.62 0.00 6.19 4.42 28 T C C 68.49 3.78 20.62 24.10 121.58 -148.90 -91.01 161.49 92.79 4.19 3.03 91.03 1.88 0.46 2.98 0.26 0.00 2.15 1.25 29 E H H 103.77 10.06 13.71 24.42 92.63 -109.02 -59.84 -37.68 3.77 0.04 96.18 1.13 0.65 2.00 94.36 1.81 0.01 0.03 0.01 30 E H H 130.12 1.58 18.34 19.12 92.14 53.83 -65.17 -39.19 2.05 0.04 97.91 0.48 0.25 1.31 95.69 2.23 0.01 0.03 0.01 31 F H H 66.74 9.58 16.28 27.11 92.40 50.01 -66.11 -41.03 1.22 0.03 98.75 0.36 0.16 0.70 96.20 2.56 0.00 0.02 0.00 32 Y H H 36.42 18.65 14.01 32.35 92.10 50.69 -64.58 -42.09 1.39 0.03 98.58 0.43 0.18 0.75 97.43 1.18 0.00 0.02 0.00 33 Q H H 93.32 6.53 19.22 26.46 91.84 51.08 -63.93 -40.33 3.69 0.06 96.25 0.82 0.42 2.41 95.13 1.16 0.01 0.04 0.01 34 S H H 64.46 2.76 21.64 23.54 92.59 49.16 -66.86 -39.58 8.66 0.08 91.27 1.24 0.90 6.45 90.01 1.31 0.03 0.04 0.03 35 T H H 32.44 14.15 18.17 32.42 94.63 46.18 -71.91 -39.56 15.75 0.22 84.03 3.17 2.61 10.40 81.78 1.77 0.06 0.10 0.11 36 C H H 24.11 17.79 16.56 33.94 94.28 50.65 -69.18 -37.45 21.46 1.56 76.98 10.75 4.46 7.95 72.43 2.96 0.06 0.91 0.49 37 S H H 58.39 5.29 21.23 26.66 93.45 55.89 -66.20 -38.77 21.10 2.50 76.40 10.70 3.87 8.06 71.21 3.65 0.06 1.88 0.58 38 A H H 54.36 5.50 20.63 26.36 94.12 50.02 -68.60 -38.50 19.98 2.99 77.02 8.91 4.06 8.58 71.55 3.76 0.12 2.40 0.63 39 V H H 39.84 14.78 17.20 31.78 96.89 48.58 -72.58 -38.17 23.79 3.60 72.60 11.36 5.28 8.94 67.85 3.08 0.13 2.51 0.85 40 S H H 36.97 12.93 17.78 30.57 98.00 52.69 -69.24 -40.36 32.61 1.97 65.42 17.44 6.06 10.31 61.83 2.54 0.04 1.12 0.65 41 K H H 133.34 3.23 20.36 23.86 93.56 50.30 -65.94 -38.00 29.55 0.42 70.03 4.50 4.21 21.14 66.26 3.32 0.14 0.22 0.21 42 G H H 30.58 6.79 19.38 26.97 94.17 48.63 -66.83 -39.70 32.30 0.31 67.39 5.30 3.98 22.89 64.65 2.82 0.07 0.15 0.15 43 Y H H 50.44 16.51 17.18 33.28 93.16 50.07 -66.73 -41.82 13.88 0.39 85.73 5.98 2.53 6.42 82.13 2.53 0.04 0.21 0.15 44 L H H 57.73 11.91 18.97 31.03 92.62 51.22 -64.76 -40.63 5.92 0.27 93.81 2.60 1.01 2.83 91.27 2.00 0.05 0.17 0.07 45 S H H 57.39 3.62 21.75 24.88 92.55 52.09 -65.78 -39.79 5.00 0.34 94.66 1.94 0.80 2.71 91.83 2.34 0.06 0.25 0.07 46 A H H 30.76 10.09 17.27 28.61 93.66 52.05 -67.19 -40.10 4.90 0.37 94.74 1.78 0.82 2.76 91.76 2.48 0.06 0.26 0.08 47 L H H 44.95 15.66 15.00 30.23 94.69 51.52 -69.76 -39.04 7.24 0.51 92.25 2.61 1.18 4.19 88.52 2.94 0.09 0.34 0.13 48 R H H 139.47 5.22 17.60 23.64 94.87 54.67 -70.28 -33.39 14.91 0.33 84.76 2.29 1.79 11.27 81.80 2.41 0.13 0.18 0.13 49 T C T 82.95 3.95 16.58 20.98 97.42 47.65 -81.77 -13.04 55.20 0.40 44.40 2.98 5.98 44.73 43.62 2.19 0.09 0.16 0.25 50 G C T 39.69 7.41 16.44 24.47 98.26 -89.37 76.41 -3.74 81.91 0.46 17.63 10.74 10.78 58.94 17.32 1.78 0.01 0.20 0.24 51 W H H 101.35 9.05 17.00 26.93 96.07 92.08 -69.42 -37.76 45.77 1.08 53.15 28.37 7.34 10.14 50.31 2.92 0.01 0.49 0.42 52 Y H H 57.80 16.81 16.02 32.02 94.23 55.05 -67.58 -39.83 17.33 1.05 81.62 9.92 3.42 5.89 76.66 3.13 0.05 0.63 0.30 53 T H H 62.60 8.52 19.38 28.13 93.43 52.61 -66.54 -40.01 8.93 0.90 90.16 4.55 1.59 3.74 85.84 3.35 0.04 0.74 0.15 54 S H H 53.62 5.42 20.64 26.20 93.18 51.02 -67.71 -39.13 6.90 1.16 91.94 3.33 1.13 3.12 88.07 3.08 0.04 1.09 0.14 55 V H H 30.88 14.30 17.83 32.55 93.35 49.90 -66.83 -41.64 5.95 1.92 92.14 2.65 1.00 2.73 88.99 2.46 0.05 1.95 0.17 56 I H H 36.78 15.98 17.38 33.31 92.82 49.37 -66.42 -40.80 8.00 3.49 88.52 3.47 1.23 3.53 85.64 2.30 0.07 3.50 0.26 57 T H H 67.78 6.14 20.06 26.55 92.65 51.13 -66.60 -38.88 13.61 4.93 81.45 5.73 1.78 5.96 78.64 2.67 0.07 4.75 0.40 58 I H H 72.24 7.62 18.10 26.35 93.26 51.47 -68.04 -38.50 19.58 5.53 74.88 8.73 3.10 8.01 70.35 4.02 0.11 5.06 0.62 59 E H H 68.46 11.33 17.81 29.42 93.82 50.54 -69.83 -34.47 26.99 4.56 68.45 12.72 3.29 10.90 64.02 4.33 0.10 3.99 0.66 60 L H H 48.18 14.70 14.51 29.17 94.41 55.96 -69.86 -32.73 29.55 3.02 67.43 15.51 4.81 10.45 56.66 9.49 0.09 2.31 0.68 61 S H H 66.56 4.22 17.24 22.19 93.19 61.38 -68.04 -29.93 41.53 1.51 56.96 12.72 5.93 22.64 46.12 10.93 0.11 1.04 0.51 62 N C H 90.33 4.93 16.66 22.45 97.02 53.98 -85.79 -7.31 53.02 1.09 45.90 17.77 6.82 28.55 34.93 10.75 0.06 0.64 0.49 63 I C H 42.31 16.98 9.49 25.57 99.68 77.70 -81.27 -6.09 49.47 1.96 48.56 32.14 8.30 9.71 34.92 13.07 0.03 1.12 0.71 64 K C H 138.86 3.50 15.11 19.82 97.26 69.11 -71.86 -26.79 53.79 2.39 43.82 27.86 9.11 17.10 30.74 12.83 0.05 1.42 0.89 65 E C H 137.76 2.58 14.79 17.97 101.47 48.03 -85.40 6.81 57.57 2.74 39.69 24.24 11.84 22.43 25.23 13.54 0.11 1.54 1.07 66 N C C 73.28 11.14 10.62 22.18 113.72 101.49 -91.20 123.74 77.61 3.78 18.61 51.81 15.74 10.10 12.52 6.27 0.02 2.20 1.34 67 K C C 140.24 3.42 15.71 20.44 116.76 -164.53 -102.79 127.22 81.70 10.31 7.99 67.50 8.18 5.20 5.87 2.59 0.01 6.26 4.38 68 C C C 48.30 14.78 8.80 22.87 113.84 -154.77 -91.25 125.24 86.97 8.46 4.58 75.84 6.69 4.15 3.05 1.59 0.00 5.53 3.15 69 N C C 121.15 2.19 14.94 17.74 105.07 -169.15 -95.31 19.76 89.19 5.74 5.07 61.29 18.49 9.51 3.32 1.86 0.00 3.41 2.12 70 G C S 43.77 5.99 11.78 19.09 113.63 81.80 -94.82 160.73 86.52 2.85 10.62 31.07 41.32 14.29 7.85 2.82 0.01 1.36 1.28 71 T C C 88.91 3.71 12.88 17.76 108.39 -88.43 -87.75 101.51 71.22 1.44 27.34 36.99 25.48 8.11 25.70 2.48 0.01 0.54 0.69 72 D H H 94.51 4.52 13.20 18.96 100.08 -63.08 -71.03 -24.98 31.74 0.50 67.76 17.41 7.60 7.30 65.05 2.23 0.01 0.21 0.19 73 A H H 59.53 4.21 14.43 19.78 94.52 67.11 -65.88 -37.29 13.82 0.26 85.92 7.93 2.24 4.37 83.25 1.98 0.01 0.14 0.09 74 K H H 92.55 7.71 15.80 24.38 93.53 52.87 -66.58 -39.60 5.27 0.15 94.58 3.09 0.78 1.82 92.77 1.40 0.00 0.10 0.03 75 V H H 46.49 9.41 14.93 25.69 92.94 51.62 -65.21 -41.27 1.98 0.06 97.96 1.04 0.27 0.75 97.22 0.68 0.00 0.04 0.01 76 K H H 110.95 2.88 19.74 22.35 92.39 51.36 -64.58 -40.95 1.43 0.05 98.52 0.67 0.16 0.60 98.10 0.42 0.00 0.03 0.01 77 L H H 68.03 5.68 18.32 24.90 92.16 50.81 -64.50 -42.17 1.28 0.04 98.69 0.51 0.14 0.60 98.41 0.31 0.00 0.02 0.01 78 I H H 46.63 12.25 16.59 29.43 92.33 49.84 -64.49 -41.85 0.77 0.01 99.22 0.29 0.08 0.35 99.14 0.14 0.00 0.00 0.00 79 K H H 103.01 6.17 19.21 25.96 92.02 50.91 -63.90 -41.11 0.64 0.00 99.35 0.19 0.06 0.32 99.32 0.11 0.00 0.00 0.00 80 Q H H 95.96 2.49 20.84 22.40 92.14 49.61 -65.18 -41.38 0.67 0.00 99.32 0.16 0.06 0.37 99.30 0.11 0.00 0.00 0.00 81 E H H 64.53 9.06 18.31 28.11 92.23 50.11 -65.05 -41.43 0.71 0.00 99.29 0.15 0.06 0.42 99.26 0.11 0.00 0.00 0.00 82 L H H 44.67 12.23 16.38 29.25 91.93 50.74 -64.23 -41.14 0.75 0.00 99.25 0.16 0.06 0.44 99.20 0.14 0.00 0.00 0.00 83 D H H 80.86 2.65 21.05 23.03 91.70 50.96 -64.09 -40.83 1.11 0.00 98.88 0.22 0.08 0.68 98.80 0.21 0.00 0.00 0.00 84 K H H 107.70 3.86 20.27 24.14 91.97 50.04 -64.99 -40.92 1.95 0.00 98.05 0.25 0.14 1.42 97.87 0.31 0.00 0.00 0.00 85 Y H H 59.39 13.53 16.37 30.19 92.35 49.63 -65.44 -41.22 1.90 0.01 98.09 0.42 0.20 1.15 97.93 0.29 0.00 0.00 0.00 86 K H H 105.04 6.41 19.66 26.60 91.82 51.67 -63.16 -41.20 1.04 0.00 98.96 0.28 0.10 0.55 98.94 0.14 0.00 0.00 0.00 87 N H H 89.68 1.99 21.86 22.25 92.10 49.67 -64.86 -40.65 0.82 0.00 99.18 0.17 0.06 0.47 99.17 0.12 0.00 0.00 0.00 88 A H H 29.35 9.49 18.16 28.83 92.02 50.98 -64.08 -42.04 0.43 0.00 99.56 0.09 0.03 0.24 99.55 0.09 0.00 0.00 0.00 89 V H H 39.36 12.12 17.21 29.91 91.92 50.07 -64.04 -42.10 0.25 0.00 99.75 0.05 0.02 0.13 99.75 0.05 0.00 0.00 0.00 90 T H H 72.50 2.72 21.19 23.16 91.60 50.03 -63.94 -41.94 0.24 0.00 99.76 0.04 0.01 0.13 99.76 0.05 0.00 0.00 0.00 91 E H H 97.06 3.54 20.27 23.64 91.93 49.83 -64.55 -41.37 0.33 0.00 99.67 0.04 0.02 0.21 99.66 0.07 0.00 0.00 0.00 92 L H H 43.11 12.57 15.71 28.95 92.06 50.04 -64.62 -41.32 0.46 0.00 99.54 0.05 0.03 0.30 99.49 0.13 0.00 0.00 0.00 93 Q H H 88.79 6.71 17.83 25.24 91.87 51.39 -63.54 -40.62 1.01 0.00 98.99 0.11 0.06 0.72 98.80 0.31 0.00 0.00 0.00 94 L H H 94.57 2.06 18.63 19.85 92.04 50.49 -65.13 -40.92 2.31 0.01 97.68 0.26 0.15 1.70 96.96 0.91 0.00 0.00 0.00 95 L H H 75.72 6.36 15.90 23.25 92.31 50.17 -66.10 -39.45 5.99 0.02 93.99 0.72 0.46 4.39 92.84 1.56 0.01 0.01 0.01 96 M H H 70.84 10.79 12.97 24.25 93.07 51.00 -69.74 -29.89 21.88 0.15 77.96 3.74 2.13 15.65 75.82 2.48 0.03 0.07 0.09 97 Q H H 122.70 2.81 15.04 18.77 94.16 60.02 -70.82 -24.25 48.45 0.60 50.95 11.54 6.70 30.27 48.17 2.72 0.04 0.24 0.33 98 S C T 77.78 2.80 13.69 17.37 100.17 57.50 -86.50 0.02 71.20 0.97 27.83 25.99 12.54 32.72 24.81 3.01 0.01 0.37 0.53 99 T C C 60.92 8.85 10.21 20.27 115.75 106.83 -87.33 136.20 88.91 1.11 9.98 50.26 34.74 3.44 9.31 1.23 0.00 0.36 0.65 100 P C C 85.10 3.69 14.02 18.85 106.74 -108.07 -66.43 145.58 71.18 2.19 26.63 54.91 6.33 8.97 22.57 5.08 0.00 1.22 0.91 101 A C C 60.36 6.80 12.23 20.22 106.01 -113.97 -74.37 103.63 60.87 3.82 35.31 41.74 8.37 10.62 28.17 7.38 0.02 2.24 1.46 102 C C H 68.96 6.55 12.14 19.97 105.94 53.59 -82.17 7.20 50.91 3.55 45.54 32.45 9.64 9.79 35.63 9.15 0.04 2.09 1.21 103 N H H 95.12 4.20 12.75 18.12 100.80 60.67 -78.38 -16.35 46.09 2.25 51.67 27.34 9.78 10.32 40.96 9.51 0.03 1.26 0.79 104 S H H 60.94 4.85 10.94 17.29 99.46 68.96 -72.70 -28.04 41.19 1.56 57.25 24.63 7.82 9.77 44.75 11.56 0.02 0.88 0.57 105 R H H 149.01 3.17 10.68 15.22 98.31 65.29 -74.87 -28.97 37.78 2.04 60.18 19.89 7.20 11.68 44.39 14.86 0.05 1.16 0.76 106 A H H 74.61 3.49 8.92 14.00 99.16 64.73 -75.29 -20.69 46.50 2.64 50.85 23.31 8.33 15.81 36.74 13.19 0.07 1.53 1.03 107 R C C 169.57 1.95 8.89 12.25 103.01 64.92 -83.13 3.57 66.25 2.44 31.32 48.37 2.47 15.90 23.81 6.82 0.00 1.41 1.22 108 R C C 163.25 2.82 10.55 15.04 107.20 135.90 -83.68 95.59 99.89 0.04 0.07 99.71 0.10 0.12 0.04 0.00 0.00 0.02 0.01