# 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 104.36 7.79 13.20 21.98 115.18 -152.81 -95.12 126.82 99.76 0.22 0.02 99.76 0.08 0.03 0.01 0.00 0.00 0.11 0.02 1 V C C 93.45 5.91 10.64 18.08 113.96 -158.72 -96.76 126.41 82.37 12.81 4.82 78.47 1.53 2.70 2.69 1.50 0.00 8.65 4.46 2 L C C 113.59 4.00 9.96 15.71 112.55 -157.50 -95.40 122.38 78.15 12.62 9.22 58.54 10.34 9.28 3.24 5.67 0.01 10.05 2.87 3 A C C 73.77 4.64 9.63 16.00 113.54 -154.26 -97.05 127.45 81.40 9.33 9.27 53.66 15.05 12.93 2.37 6.81 0.00 7.43 1.75 4 T C C 93.86 4.09 10.32 16.24 112.68 -156.52 -97.38 118.32 84.58 6.73 8.68 55.53 17.22 12.05 2.42 6.28 0.00 4.39 2.11 5 L C C 100.53 5.66 9.82 17.21 115.63 -155.02 -97.29 131.10 95.88 2.66 1.46 75.84 18.15 1.99 0.61 0.84 0.00 1.55 1.02 6 P C C 90.46 5.13 10.42 17.25 109.80 -127.95 -77.95 132.68 97.97 0.78 1.25 89.44 5.34 3.42 0.38 0.66 0.00 0.50 0.25 7 D C C 108.81 3.20 11.92 16.58 106.60 -155.13 -92.09 48.08 96.89 0.98 2.13 83.09 8.72 5.15 0.64 1.39 0.00 0.53 0.48 8 T C C 80.94 6.42 10.57 18.43 111.06 141.62 -95.29 111.17 94.47 1.87 3.66 70.00 16.62 7.86 1.03 2.58 0.00 1.08 0.82 9 T C C 96.25 3.30 14.24 18.83 113.24 -149.59 -95.28 125.93 93.62 2.93 3.45 70.74 15.81 7.11 1.15 2.17 0.00 1.71 1.30 10 W C C 92.13 15.02 9.15 23.43 114.13 -134.21 -88.47 130.08 94.59 2.89 2.53 79.78 12.31 2.00 1.53 0.95 0.00 1.02 2.41 11 T C C 66.17 4.56 15.99 21.51 120.28 -156.43 -93.67 158.85 97.66 0.42 1.92 93.88 3.25 0.43 1.92 0.15 0.00 0.13 0.24 12 P H H 97.10 3.94 13.85 19.12 92.90 -107.48 -59.99 -34.85 13.56 0.04 86.40 2.06 1.54 9.49 85.86 0.99 0.01 0.01 0.02 13 S H H 70.21 2.76 17.59 20.50 92.88 53.53 -66.88 -37.94 9.29 0.05 90.66 1.41 0.94 6.68 90.05 0.86 0.02 0.02 0.03 14 V H H 31.12 13.98 15.41 30.04 93.08 49.67 -66.52 -41.67 1.68 0.01 98.30 0.53 0.21 0.79 98.14 0.31 0.00 0.00 0.00 15 G H H 15.57 14.30 15.68 30.69 91.77 52.99 -62.88 -41.81 0.49 0.00 99.51 0.16 0.04 0.19 99.51 0.09 0.00 0.00 0.00 16 L H H 94.14 2.90 22.06 24.15 91.72 50.20 -64.69 -41.24 0.13 0.00 99.87 0.03 0.01 0.06 99.88 0.03 0.00 0.00 0.00 17 V H H 61.18 7.01 21.00 28.65 91.83 49.41 -64.62 -42.55 0.04 0.00 99.96 0.01 0.00 0.02 99.96 0.01 0.00 0.00 0.00 18 V H H 18.51 20.15 17.10 36.96 92.15 49.63 -64.68 -42.34 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 19 I H H 69.81 10.01 21.10 31.27 91.55 49.68 -63.44 -41.97 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 20 L H H 94.63 2.24 24.60 25.20 91.40 48.89 -64.32 -42.04 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 21 C H H 26.40 12.27 19.67 32.92 91.86 49.42 -64.99 -41.91 0.14 0.00 99.86 0.02 0.01 0.09 99.88 0.01 0.00 0.00 0.00 22 N H H 22.41 19.71 17.66 36.94 91.86 50.96 -63.90 -41.58 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.01 0.00 0.00 0.00 23 L H H 88.62 5.14 23.43 28.32 91.56 50.23 -64.35 -41.57 0.14 0.00 99.86 0.01 0.01 0.10 99.87 0.01 0.00 0.00 0.00 24 F H H 112.85 3.04 24.20 26.38 91.76 48.76 -64.81 -42.26 0.13 0.00 99.87 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 25 A H H 13.94 16.61 17.77 34.90 91.70 50.00 -64.04 -42.65 0.19 0.00 99.81 0.03 0.01 0.12 99.78 0.06 0.00 0.00 0.00 26 I H H 50.62 14.60 19.50 33.78 91.70 49.39 -63.83 -42.24 0.27 0.00 99.73 0.02 0.01 0.20 99.66 0.11 0.00 0.00 0.00 27 A H H 60.00 2.68 23.35 24.89 91.34 49.91 -63.74 -42.40 0.64 0.00 99.36 0.03 0.02 0.53 99.23 0.19 0.00 0.00 0.00 28 L H H 78.20 4.60 22.02 26.71 91.76 48.03 -64.94 -41.57 2.04 0.01 97.95 0.14 0.11 1.66 97.70 0.39 0.00 0.00 0.00 29 G H H 7.53 17.84 14.89 33.22 91.83 51.98 -63.98 -41.12 4.18 0.01 95.81 0.49 0.32 3.09 94.24 1.85 0.01 0.01 0.00 30 R H H 103.91 10.21 18.70 29.16 91.68 52.94 -63.69 -39.21 5.49 0.02 94.48 0.52 0.41 4.31 90.09 4.63 0.01 0.01 0.01 31 Y H H 147.22 1.92 21.32 21.92 92.36 51.05 -67.33 -35.47 8.01 0.04 91.95 0.69 0.63 6.44 86.86 5.31 0.03 0.02 0.02 32 A H H 41.75 8.97 16.53 26.63 93.74 51.83 -73.09 -29.24 18.14 0.18 81.68 1.94 1.97 14.48 77.30 4.02 0.10 0.08 0.11 33 I H H 39.36 17.41 11.92 28.56 100.99 57.41 -85.69 11.95 43.14 2.77 54.08 14.76 9.15 22.57 46.23 4.16 0.38 1.11 1.64 34 Q C T 119.77 4.07 16.40 21.77 96.46 101.98 -71.41 -25.83 67.48 3.43 29.09 23.80 18.61 26.23 24.08 3.90 0.23 1.49 1.67 35 S C C 73.86 3.35 15.13 19.37 105.40 43.67 -106.33 63.90 83.55 2.63 13.82 41.58 19.43 22.88 9.24 4.15 0.02 1.09 1.61 36 R C T 123.37 9.94 10.76 21.57 110.45 135.33 -72.07 129.93 89.88 1.50 8.62 19.85 10.92 59.38 3.26 4.90 0.00 0.79 0.89 37 G C T 56.85 2.86 14.46 18.25 99.42 23.01 82.89 -1.91 93.53 0.88 5.59 16.72 16.45 60.37 1.20 4.30 0.00 0.49 0.48 38 K C C 139.04 3.13 13.43 17.74 108.80 97.51 -95.71 51.55 92.91 2.34 4.75 46.91 36.28 9.53 1.11 3.48 0.00 0.92 1.76 39 G C C 36.96 6.15 12.91 20.53 130.09 -98.83 122.56 178.25 96.49 2.50 1.01 54.59 37.22 4.72 0.21 0.82 0.00 1.14 1.30 40 P C C 87.09 5.59 13.51 20.42 111.90 -48.91 -71.76 146.22 96.97 1.79 1.25 64.39 23.33 9.11 0.21 1.18 0.00 0.91 0.87 41 G C C 45.03 5.82 14.31 21.53 119.78 -128.07 -87.07 158.57 92.77 6.03 1.19 71.21 16.90 4.02 0.31 0.96 0.00 2.59 3.99 42 L C C 74.00 11.86 10.52 22.72 115.35 -105.55 -85.72 137.87 94.49 4.95 0.56 78.83 14.44 1.12 0.19 0.39 0.00 2.43 2.60 43 P C C 88.99 4.19 14.12 19.50 106.33 -114.38 -69.82 127.32 95.08 3.21 1.72 77.34 13.32 4.16 0.42 1.40 0.00 1.63 1.72 44 I C C 100.40 6.82 9.78 17.98 112.78 142.32 -99.39 126.79 94.36 2.94 2.71 66.33 19.98 7.56 0.69 2.16 0.00 1.24 2.04 45 A C C 85.26 2.44 11.54 15.21 108.09 -125.51 -84.74 81.14 95.93 1.45 2.62 51.11 36.50 8.16 0.61 2.03 0.00 0.62 0.98 46 L C C 98.19 5.06 9.47 16.31 116.71 71.91 -103.36 126.54 95.60 1.21 3.20 57.82 33.98 3.71 1.01 2.06 0.00 0.42 1.00 47 P C G 85.81 4.72 10.77 17.09 106.41 -116.61 -67.88 136.33 63.30 0.67 36.02 30.38 9.22 23.06 5.06 31.56 0.00 0.32 0.39 48 A H G 82.33 3.07 11.23 15.74 101.30 -111.59 -73.60 -7.58 48.98 0.84 50.18 15.18 8.65 25.08 6.58 43.67 0.00 0.44 0.39 49 L H G 105.52 4.68 11.38 17.44 101.05 65.61 -80.22 -16.42 45.39 1.63 52.98 18.45 9.53 17.92 6.95 45.65 0.01 0.89 0.62 50 F C C 99.42 9.52 10.32 20.67 105.20 54.76 -94.60 41.49 59.09 3.35 37.56 31.61 11.53 16.90 6.35 30.28 0.01 1.69 1.63 51 E C T 129.89 3.94 15.18 20.61 109.52 128.37 -87.38 123.82 86.40 2.91 10.69 22.94 19.97 44.19 2.87 6.96 0.01 1.35 1.70 52 G C T 43.74 6.03 17.10 23.83 105.77 10.67 88.96 -0.62 94.75 1.90 3.35 25.84 29.30 39.97 0.80 2.32 0.00 0.98 0.79 53 F C C 52.50 17.88 12.19 29.34 118.12 125.90 -95.38 135.18 90.88 7.73 1.39 76.76 11.20 1.55 0.86 0.52 0.00 2.50 6.60 54 G C C 25.39 8.00 21.21 29.49 125.59 -153.33 -96.66 169.87 91.61 5.28 3.11 80.88 8.49 0.89 3.29 0.28 0.00 0.99 5.18 55 L H H 73.23 13.82 17.68 31.19 92.54 -96.81 -60.87 -38.91 1.79 0.01 98.20 0.41 0.29 0.92 98.15 0.23 0.00 0.00 0.00 56 P H H 66.06 7.28 21.65 29.38 91.79 53.83 -63.75 -39.63 0.64 0.00 99.36 0.11 0.05 0.39 99.22 0.23 0.00 0.00 0.00 57 E H H 59.26 12.41 21.27 33.67 91.93 50.21 -65.26 -40.30 0.12 0.00 99.88 0.02 0.01 0.07 99.74 0.17 0.00 0.00 0.00 58 L H H 26.40 19.44 20.27 38.94 91.98 49.67 -63.86 -42.45 0.08 0.00 99.92 0.01 0.00 0.05 99.85 0.09 0.00 0.00 0.00 59 L H H 58.98 12.48 24.30 36.38 91.59 49.54 -63.64 -42.25 0.17 0.00 99.83 0.01 0.01 0.11 99.80 0.06 0.00 0.00 0.00 60 A H H 41.80 7.68 25.61 33.68 91.52 50.00 -63.65 -42.21 0.51 0.00 99.49 0.04 0.02 0.36 99.42 0.15 0.00 0.00 0.00 61 T H H 25.20 16.11 24.09 39.81 91.94 49.02 -65.16 -41.95 1.63 0.01 98.36 0.12 0.08 1.30 98.14 0.34 0.00 0.00 0.00 62 T H H 21.86 19.54 24.07 42.42 92.02 50.47 -65.24 -41.99 3.96 0.01 96.03 0.32 0.24 3.11 95.75 0.57 0.00 0.00 0.00 63 S H H 38.47 11.21 25.83 36.99 91.88 50.27 -64.62 -41.94 6.57 0.03 93.40 0.84 0.59 4.92 92.92 0.69 0.01 0.01 0.02 64 F H H 81.89 8.09 27.56 36.16 91.88 49.18 -65.00 -41.92 2.87 0.01 97.12 0.44 0.30 1.98 96.82 0.44 0.00 0.00 0.00 65 G H H 7.74 18.87 22.27 40.87 91.85 51.77 -63.57 -42.71 1.45 0.00 98.55 0.30 0.13 0.90 98.34 0.33 0.00 0.00 0.00 66 H H H 45.42 17.95 23.26 40.02 91.72 50.40 -63.97 -41.62 1.05 0.01 98.94 0.22 0.09 0.69 98.66 0.33 0.00 0.00 0.00 67 L H H 76.40 8.05 26.26 34.16 91.70 49.67 -64.13 -42.18 0.59 0.00 99.41 0.10 0.04 0.38 99.24 0.24 0.00 0.00 0.00 68 L H H 64.74 8.82 26.26 35.39 91.81 48.86 -64.65 -42.03 0.76 0.00 99.23 0.09 0.04 0.53 99.13 0.20 0.00 0.00 0.00 69 A H H 11.73 20.04 21.53 41.12 91.85 50.17 -64.39 -41.92 0.62 0.00 99.38 0.06 0.03 0.42 99.36 0.13 0.00 0.00 0.00 70 A H H 29.56 14.71 22.77 37.22 91.64 50.79 -63.27 -42.11 0.26 0.00 99.74 0.02 0.01 0.17 99.71 0.08 0.00 0.00 0.00 71 G H H 33.29 5.65 25.34 30.67 91.56 50.33 -63.78 -42.01 0.31 0.00 99.69 0.03 0.01 0.22 99.65 0.09 0.00 0.00 0.00 72 V H H 47.69 11.31 23.38 34.83 92.05 49.04 -64.85 -42.33 0.35 0.00 99.64 0.03 0.02 0.24 99.62 0.09 0.00 0.00 0.00 73 V H H 21.55 18.97 19.71 38.36 91.91 48.93 -64.05 -43.04 0.44 0.00 99.56 0.05 0.03 0.29 99.53 0.11 0.00 0.00 0.00 74 S H H 45.00 7.84 22.00 30.12 91.48 49.82 -63.32 -41.78 1.01 0.00 98.98 0.12 0.06 0.67 98.86 0.27 0.00 0.00 0.00 75 G H H 31.22 4.39 20.68 25.21 91.60 50.32 -63.97 -41.71 3.08 0.01 96.91 0.33 0.20 2.32 96.40 0.73 0.01 0.00 0.00 76 L H H 37.99 11.67 15.81 28.68 92.02 49.43 -66.09 -40.68 4.96 0.04 95.00 0.86 0.53 3.46 93.42 1.68 0.02 0.02 0.02 77 Q H H 77.04 10.31 14.49 25.46 91.82 52.35 -64.30 -40.37 8.19 0.09 91.72 1.56 0.89 5.80 88.64 2.98 0.04 0.04 0.04 78 Y H H 168.56 2.11 15.37 17.50 92.14 51.69 -67.48 -28.69 19.28 0.15 80.57 1.84 1.58 16.11 77.36 2.87 0.08 0.07 0.09 79 A C T 71.25 3.24 12.46 16.83 93.84 54.12 -84.18 -5.78 71.81 0.17 28.02 1.54 3.77 65.34 26.42 2.70 0.01 0.06 0.15 80 G C T 57.81 2.08 13.23 16.32 95.87 -108.83 78.18 9.94 95.19 0.14 4.67 4.41 5.04 85.80 3.86 0.75 0.00 0.06 0.08 81 A C C 61.10 6.17 12.09 19.83 97.98 120.65 -82.67 -11.35 97.18 1.11 1.71 89.99 2.26 5.10 1.03 0.41 0.00 0.50 0.72 82 L C C 60.56 15.46 12.04 26.65 107.87 68.84 -93.91 72.93 99.57 0.41 0.02 99.51 0.18 0.03 0.01 0.00 0.00 0.21 0.06