# 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 115.83 5.23 11.74 18.39 113.02 -152.09 -90.55 125.18 99.88 0.08 0.04 99.81 0.07 0.05 0.02 0.00 0.00 0.03 0.01 1 A C C 72.88 4.13 9.75 15.48 108.09 -152.12 -82.21 114.99 86.67 1.91 11.42 80.67 1.24 6.09 7.49 2.55 0.00 0.92 1.05 2 Y C C 151.40 4.11 9.28 15.03 106.56 -138.29 -87.87 81.19 79.52 2.78 17.70 52.52 12.53 14.30 11.80 5.91 0.01 1.35 1.58 3 T C C 92.62 3.16 10.95 15.50 106.00 131.07 -86.77 19.14 67.18 1.90 30.92 36.83 13.20 17.72 19.96 10.31 0.02 0.84 1.13 4 G C H 43.71 3.56 12.66 17.33 101.04 32.68 -54.83 -45.36 56.03 1.04 42.93 17.51 13.21 26.03 26.81 15.16 0.08 0.45 0.73 5 L C T 92.41 6.41 11.35 19.03 95.54 41.09 -71.45 -27.43 56.10 0.94 42.96 11.84 11.93 32.48 30.56 11.95 0.13 0.43 0.69 6 T H H 73.02 5.06 13.07 19.41 93.81 61.97 -67.09 -37.77 27.50 0.53 71.97 8.82 6.00 14.27 65.07 5.19 0.10 0.21 0.34 7 V H H 83.66 2.37 15.57 18.04 92.40 53.21 -64.74 -41.67 4.42 0.02 95.56 1.93 0.78 1.53 95.20 0.54 0.00 0.01 0.01 8 P H H 57.72 5.32 14.57 21.45 92.39 50.09 -64.70 -40.42 2.02 0.02 97.96 0.91 0.19 0.81 97.59 0.48 0.00 0.01 0.01 9 L H H 65.75 8.77 14.20 24.20 92.32 50.35 -64.94 -40.82 0.51 0.00 99.48 0.16 0.05 0.24 99.25 0.29 0.00 0.00 0.00 10 I H H 93.80 3.21 17.17 20.62 92.01 49.39 -64.65 -41.64 0.31 0.00 99.69 0.09 0.03 0.15 99.61 0.12 0.00 0.00 0.00 11 V H H 84.13 2.25 18.27 19.84 92.01 48.13 -64.82 -42.13 0.32 0.00 99.68 0.06 0.02 0.18 99.65 0.08 0.00 0.00 0.00 12 M H H 68.30 8.02 15.79 25.01 92.18 48.69 -65.20 -41.13 0.31 0.00 99.69 0.05 0.02 0.18 99.67 0.08 0.00 0.00 0.00 13 S H H 39.87 9.02 15.03 25.33 91.98 50.86 -64.04 -40.80 0.46 0.00 99.54 0.05 0.02 0.31 99.51 0.11 0.00 0.00 0.00 14 V H H 88.04 1.99 18.89 19.79 91.98 49.46 -64.88 -41.02 0.82 0.00 99.18 0.05 0.03 0.67 99.07 0.17 0.00 0.00 0.00 15 F H H 107.68 3.32 18.09 21.45 92.16 48.60 -65.39 -41.98 1.29 0.00 98.71 0.08 0.06 1.06 98.52 0.27 0.00 0.00 0.00 16 W H H 82.10 10.99 14.86 26.77 92.18 49.33 -65.20 -40.54 1.59 0.00 98.41 0.14 0.09 1.25 97.72 0.79 0.00 0.00 0.00 17 G H H 32.28 5.69 16.36 23.26 91.90 51.64 -63.18 -40.94 2.28 0.01 97.72 0.14 0.11 1.93 96.37 1.45 0.00 0.00 0.00 18 F H H 127.26 1.46 19.53 19.11 92.07 48.16 -65.48 -40.73 2.64 0.01 97.36 0.17 0.15 2.26 95.53 1.88 0.01 0.00 0.00 19 V H H 60.71 6.54 16.41 24.09 92.42 48.80 -66.09 -40.85 2.78 0.01 97.21 0.17 0.19 2.37 94.30 2.95 0.01 0.00 0.00 20 G H H 19.97 12.54 12.62 26.07 91.68 53.31 -65.00 -35.27 8.61 0.01 91.38 0.28 0.30 8.25 84.47 6.69 0.01 0.00 0.01 21 F H H 136.37 2.60 17.02 19.70 93.10 48.51 -71.74 -29.45 26.51 0.02 73.47 0.38 0.76 26.41 65.66 6.73 0.03 0.01 0.02 22 L H H 101.52 2.39 16.62 18.79 95.57 48.34 -82.01 -25.50 30.23 0.04 69.73 0.90 1.87 27.51 63.08 6.52 0.06 0.01 0.04 23 V H G 50.18 10.20 11.98 23.39 93.82 70.72 -66.24 -38.26 14.09 0.11 85.79 3.37 2.02 7.56 39.41 47.53 0.00 0.06 0.04 24 P H G 64.30 8.79 12.40 22.39 92.11 61.10 -64.58 -29.69 6.45 0.05 93.50 0.94 0.51 4.46 32.13 61.91 0.00 0.04 0.01 25 W H G 193.90 1.39 15.38 16.50 92.57 57.23 -72.76 -20.03 8.07 0.06 91.87 0.66 0.65 6.23 30.90 61.50 0.00 0.04 0.01 26 F H G 137.67 3.20 14.30 18.29 98.09 48.71 -95.29 -6.46 27.92 0.42 71.66 2.99 4.00 18.87 28.39 45.19 0.09 0.20 0.25 27 I C S 59.49 12.69 9.18 22.55 114.99 96.19 -88.99 128.85 98.47 1.13 0.40 22.71 75.25 0.65 0.24 0.10 0.00 0.35 0.70 28 P C C 72.95 5.79 13.05 20.60 113.54 -114.34 -65.77 144.13 98.11 1.29 0.60 89.96 5.72 2.46 0.19 0.36 0.00 0.77 0.54 29 K C C 146.19 3.40 12.29 17.68 117.19 -136.78 -100.10 140.32 96.73 1.98 1.29 56.88 35.31 4.09 0.46 0.77 0.00 0.64 1.85 30 G C S 39.39 3.05 14.39 18.45 132.63 58.04 127.82 -173.84 92.29 0.82 6.89 25.35 59.13 8.18 2.47 3.70 0.00 0.27 0.90 31 P C T 114.38 1.50 14.25 15.48 97.86 -35.75 -67.69 -13.35 85.53 0.21 14.26 3.77 11.10 70.97 4.95 8.87 0.01 0.10 0.23 32 N C T 74.45 8.44 11.12 20.79 97.69 47.15 -91.75 10.22 85.02 0.22 14.76 13.13 5.57 66.65 7.55 6.81 0.00 0.11 0.18 33 R H H 105.65 9.41 12.45 23.14 93.20 117.43 -61.82 -38.92 8.66 0.04 91.30 2.34 1.41 4.84 89.81 1.56 0.01 0.01 0.02 34 G H H 45.51 2.19 17.53 19.41 91.85 52.90 -63.52 -39.14 4.63 0.02 95.36 0.87 0.46 3.08 94.73 0.84 0.00 0.01 0.01 35 V H H 70.44 5.25 17.84 23.84 92.16 50.03 -65.68 -41.32 1.10 0.01 98.89 0.29 0.12 0.57 98.60 0.42 0.00 0.00 0.00 36 I H H 37.58 14.60 14.95 29.98 92.05 50.30 -64.24 -42.46 0.27 0.00 99.73 0.07 0.02 0.11 99.69 0.10 0.00 0.00 0.00 37 I H H 77.82 7.10 18.90 26.70 91.82 49.48 -64.04 -41.72 0.18 0.00 99.82 0.04 0.01 0.09 99.80 0.06 0.00 0.00 0.00 38 T H H 74.64 2.46 20.83 22.26 91.48 49.63 -64.31 -41.84 0.17 0.00 99.83 0.03 0.01 0.09 99.83 0.04 0.00 0.00 0.00 39 M H H 63.29 9.92 18.16 28.89 91.93 49.78 -65.05 -41.39 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 40 L H H 47.58 14.49 16.98 31.46 91.97 50.57 -64.24 -41.36 0.27 0.00 99.73 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 41 V H H 82.96 3.35 21.66 24.49 91.91 49.13 -64.70 -41.76 0.39 0.00 99.61 0.04 0.02 0.25 99.65 0.05 0.00 0.00 0.00 42 T H H 70.24 3.32 21.62 24.53 91.74 48.85 -64.80 -41.84 0.29 0.00 99.71 0.03 0.01 0.17 99.74 0.04 0.00 0.00 0.00 43 C H H 24.31 14.48 16.84 32.02 92.00 50.41 -64.67 -41.60 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 44 S H H 40.11 9.57 19.09 29.36 91.81 51.63 -63.20 -41.77 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 45 V H H 84.77 2.07 22.71 23.03 91.59 49.34 -64.37 -41.82 0.15 0.00 99.85 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 46 C H H 46.01 7.70 19.13 27.95 92.06 49.81 -64.79 -41.94 0.32 0.00 99.68 0.03 0.01 0.22 99.67 0.05 0.00 0.00 0.00 47 C H H 29.77 13.90 16.39 30.97 91.83 51.02 -63.72 -41.71 0.46 0.00 99.54 0.04 0.02 0.34 99.52 0.08 0.00 0.00 0.00 48 Y H H 122.90 3.85 20.62 24.41 91.90 50.50 -64.31 -41.44 0.28 0.00 99.72 0.02 0.01 0.20 99.70 0.06 0.00 0.00 0.00 49 L H H 87.09 3.22 20.27 23.17 91.82 50.04 -64.88 -41.84 0.18 0.00 99.82 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 50 F H H 61.37 12.45 16.72 29.75 91.97 50.73 -64.46 -41.69 0.19 0.00 99.81 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 51 W H H 107.62 9.07 18.18 27.78 91.92 50.81 -63.98 -41.22 0.15 0.00 99.85 0.01 0.00 0.11 99.81 0.06 0.00 0.00 0.00 52 L H H 94.39 2.41 21.09 22.52 91.80 50.23 -64.45 -41.85 0.13 0.00 99.87 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 53 I H H 68.29 6.93 18.98 26.86 91.98 49.07 -65.01 -41.63 0.22 0.00 99.78 0.01 0.01 0.18 99.71 0.09 0.00 0.00 0.00 54 A H H 22.94 13.59 15.48 30.09 91.75 51.32 -63.79 -41.74 0.64 0.00 99.36 0.03 0.03 0.53 99.16 0.24 0.00 0.00 0.00 55 I H H 85.04 3.95 19.99 24.00 91.58 50.02 -64.15 -42.03 1.22 0.00 98.77 0.07 0.07 1.01 98.22 0.64 0.00 0.00 0.00 56 L H H 81.77 3.15 19.16 22.29 91.83 49.76 -64.90 -40.20 1.28 0.00 98.72 0.09 0.07 0.98 97.25 1.60 0.00 0.00 0.00 57 A H H 23.43 12.48 12.72 26.58 91.67 52.96 -65.31 -36.00 3.75 0.01 96.25 0.21 0.18 3.13 93.13 3.34 0.00 0.00 0.00 58 Q H H 98.83 7.00 15.00 23.05 92.17 53.55 -70.23 -28.89 12.16 0.01 87.83 0.50 0.59 11.02 85.14 2.71 0.02 0.01 0.01 59 L H H 122.20 1.57 15.73 16.77 94.53 50.75 -79.22 -23.25 23.51 0.10 76.38 1.87 3.91 18.16 74.13 1.73 0.08 0.03 0.09 60 N C C 78.70 5.08 11.53 18.48 111.45 37.72 -123.48 92.88 96.75 0.76 2.49 57.39 36.02 3.11 2.09 0.45 0.00 0.20 0.73 61 P C T 85.56 6.27 10.47 18.66 102.79 -166.51 -66.05 0.57 84.10 0.46 15.44 20.09 10.51 53.28 2.77 12.84 0.00 0.23 0.28 62 L C T 122.15 2.62 13.18 16.80 95.79 63.33 -73.78 -19.75 82.64 0.67 16.69 8.38 14.07 59.91 3.03 13.79 0.00 0.35 0.44 63 F C T 114.01 6.14 12.55 19.82 101.53 47.31 -96.42 -2.21 76.16 2.84 20.99 20.93 19.49 36.91 4.60 15.02 0.03 1.35 1.68 64 G C C 26.02 9.95 12.56 23.49 120.55 133.68 69.73 -163.08 74.02 2.34 23.64 42.10 19.92 12.15 6.11 17.19 0.00 1.09 1.44 65 P C C 79.23 6.44 14.06 21.67 102.66 -19.83 -71.39 28.59 68.50 1.77 29.72 34.99 14.20 19.48 7.29 22.26 0.01 0.93 0.84 66 Q C C 120.11 3.65 15.41 20.15 104.24 60.86 -85.08 31.42 64.17 3.78 32.04 37.34 11.41 15.73 8.82 23.01 0.02 2.10 1.57 67 L C C 58.70 13.45 9.00 22.31 113.72 121.64 -85.17 128.86 76.77 2.90 20.33 57.52 10.80 8.04 10.40 10.18 0.00 1.47 1.59 68 K C C 150.04 2.33 15.41 18.33 102.87 -148.81 -81.60 -8.79 82.54 0.92 16.54 49.04 18.46 14.66 12.00 4.88 0.00 0.39 0.57 69 N C C 81.03 6.53 12.30 20.09 114.00 67.82 -94.65 122.92 75.16 0.68 24.15 31.23 25.78 17.78 20.03 4.46 0.01 0.25 0.46 70 E H H 118.12 4.10 14.20 19.47 94.81 -135.13 -66.16 -29.26 43.60 0.64 55.75 22.47 11.04 10.07 52.51 3.35 0.01 0.27 0.29 71 T H H 56.71 6.63 14.41 22.45 92.67 58.53 -65.83 -38.89 24.14 0.87 74.99 14.46 4.20 6.74 70.30 3.53 0.02 0.49 0.27 72 I H H 48.57 9.69 13.02 24.37 92.51 51.76 -65.53 -40.53 10.16 0.74 89.10 6.33 1.53 3.15 83.78 4.50 0.01 0.56 0.13 73 W H H 116.47 4.28 15.24 20.78 92.03 52.18 -63.74 -41.50 4.10 0.27 95.63 1.79 0.55 1.88 89.75 5.74 0.01 0.24 0.04 74 Y H H 109.75 3.42 15.49 19.75 92.03 50.71 -64.37 -41.41 3.57 0.15 96.28 1.04 0.42 2.10 90.29 6.00 0.01 0.13 0.02 75 L H H 62.76 7.64 12.52 21.85 92.34 50.54 -66.34 -38.09 3.14 0.07 96.79 0.69 0.32 1.99 89.06 7.86 0.01 0.05 0.01 76 K H H 107.06 6.13 12.19 19.83 92.21 53.79 -66.15 -35.83 4.49 0.04 95.47 0.49 0.33 3.31 81.11 14.72 0.01 0.03 0.01 77 Y H H 159.80 1.74 13.03 15.16 94.44 48.40 -72.95 -31.31 14.56 0.05 85.39 0.72 0.77 12.53 73.87 12.01 0.03 0.03 0.02 78 H H H 126.67 2.72 11.96 15.64 98.69 43.97 -90.57 -16.71 29.96 0.11 69.93 2.28 2.46 24.83 64.82 5.43 0.04 0.04 0.09 79 W C C 106.37 9.38 7.12 17.34 111.81 74.85 -95.61 112.08 99.65 0.18 0.17 87.89 11.34 0.42 0.13 0.03 0.00 0.06 0.14 80 P C C 98.42 2.52 13.59 17.11 107.07 -138.41 -70.43 130.47 99.98 0.02 0.01 99.87 0.08 0.04 0.00 0.00 0.00 0.01 0.00