# 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 106.83 7.33 13.10 21.46 115.75 -155.90 -89.03 138.72 99.95 0.04 0.01 99.87 0.08 0.03 0.00 0.00 0.00 0.01 0.01 1 A C C 71.07 5.80 11.44 18.85 111.40 -111.01 -73.64 142.84 91.50 1.49 7.01 84.28 1.46 7.27 2.18 3.28 0.00 0.81 0.72 2 S C C 74.78 4.76 11.88 18.23 112.70 -124.77 -87.82 128.80 86.26 4.44 9.30 54.04 17.11 15.08 2.17 7.22 0.00 2.68 1.70 3 A C C 64.24 7.55 11.84 20.60 110.12 -143.50 -91.70 105.72 79.91 10.69 9.41 51.69 18.23 10.31 2.50 6.90 0.01 7.06 3.29 4 V C C 69.10 8.87 10.68 20.92 120.97 91.64 -106.33 141.77 65.37 30.15 4.47 43.65 17.18 2.65 2.73 1.75 0.04 9.20 22.80 5 D C C 66.53 5.74 11.77 19.23 119.38 -119.22 -78.17 164.72 92.86 5.83 1.31 86.50 4.66 1.66 0.56 0.64 0.00 3.20 2.79 6 A C T 94.67 2.07 10.45 14.20 92.22 -100.88 -64.75 -22.33 97.19 0.57 2.24 6.28 15.00 75.91 0.33 1.88 0.00 0.36 0.24 7 S C T 86.76 1.35 11.40 13.07 94.93 57.13 -87.12 -1.15 97.66 0.29 2.05 3.13 15.39 79.11 0.19 1.88 0.00 0.16 0.15 8 G C S 47.27 4.64 11.36 17.67 98.23 -105.39 84.29 5.77 97.51 1.08 1.41 20.69 70.06 6.66 0.13 1.37 0.00 0.54 0.54 9 N C C 91.65 3.51 13.46 18.65 117.46 133.06 -86.01 140.88 97.57 2.34 0.09 69.52 27.66 0.67 0.02 0.07 0.00 1.34 0.73 10 P C C 77.89 7.83 13.61 22.84 113.68 -104.59 -65.63 145.74 71.11 28.50 0.39 61.60 7.81 0.53 0.21 0.18 0.00 7.52 22.15 11 I C C 69.60 12.19 13.43 26.29 114.52 -124.62 -88.53 133.26 95.23 4.56 0.21 86.21 8.62 0.56 0.08 0.12 0.00 2.84 1.57 12 P C C 71.49 9.46 15.95 26.20 108.08 -108.77 -68.85 136.32 94.75 3.00 2.25 77.17 11.75 5.73 0.93 1.22 0.00 1.64 1.56 13 S C C 50.47 11.43 15.66 27.31 114.69 99.52 -100.11 138.56 93.47 2.39 4.14 63.05 22.11 8.07 2.40 1.59 0.00 0.89 1.89 14 S C C 44.09 12.17 15.40 27.71 106.12 -124.29 -82.06 -16.55 78.01 1.44 20.55 43.37 29.30 4.78 19.60 1.56 0.01 0.37 1.02 15 S H H 64.04 5.30 18.77 24.65 94.19 77.27 -64.61 -38.54 9.37 0.07 90.57 3.91 2.74 3.07 89.06 1.14 0.02 0.02 0.03 16 V H H 60.13 10.48 18.45 29.20 92.42 50.53 -66.10 -40.36 3.57 0.05 96.38 1.19 0.54 1.84 95.15 1.21 0.02 0.03 0.02 17 L H H 36.78 17.40 17.08 34.05 92.67 49.77 -65.88 -40.50 1.97 0.04 97.99 0.67 0.27 1.03 96.70 1.28 0.01 0.03 0.01 18 M H H 80.71 9.54 21.24 30.90 91.99 50.71 -64.70 -40.78 2.24 0.05 97.72 0.72 0.31 1.21 96.78 0.93 0.01 0.02 0.02 19 A H H 43.28 5.87 22.65 28.87 91.95 51.06 -64.37 -40.99 5.29 0.06 94.65 0.93 0.51 3.73 93.93 0.84 0.02 0.03 0.02 20 S H H 21.13 15.15 20.21 35.53 91.82 51.04 -64.51 -41.09 6.53 0.02 93.45 0.83 0.50 4.81 93.21 0.63 0.01 0.01 0.01 21 S H H 21.62 17.97 19.31 36.73 91.58 52.92 -63.29 -40.59 1.94 0.00 98.06 0.39 0.17 1.07 98.00 0.37 0.00 0.00 0.00 22 K H H 111.98 5.44 24.00 29.80 91.65 51.21 -64.59 -40.27 1.56 0.00 98.44 0.19 0.11 1.07 98.15 0.47 0.00 0.00 0.00 23 H H H 71.77 8.51 22.92 31.61 92.00 49.88 -65.57 -42.03 1.70 0.01 98.30 0.19 0.12 1.24 97.92 0.52 0.00 0.00 0.00 24 I H H 17.48 19.25 19.11 38.15 91.98 48.97 -64.90 -42.26 1.05 0.00 98.95 0.12 0.10 0.75 98.66 0.37 0.00 0.00 0.00 25 G H H 14.33 15.26 17.40 33.05 91.72 52.87 -62.76 -40.05 1.50 0.00 98.50 0.14 0.09 1.15 97.56 1.06 0.00 0.00 0.00 26 I H H 104.46 3.16 22.57 25.29 92.44 49.42 -67.20 -38.16 2.65 0.00 97.34 0.09 0.12 2.53 95.11 2.16 0.00 0.00 0.00 27 R H H 112.20 8.28 20.21 28.74 94.24 44.49 -75.12 -30.84 7.26 0.00 92.73 0.09 0.25 7.50 90.64 1.51 0.01 0.00 0.00 28 C C H 12.50 20.02 12.91 33.28 101.62 36.98 -110.43 16.58 52.67 0.07 47.26 4.13 3.44 43.54 46.43 2.36 0.01 0.02 0.08 29 H H H 98.33 9.75 17.05 27.96 92.75 122.36 -57.74 -42.67 2.01 0.00 97.99 0.63 0.16 0.89 97.91 0.40 0.00 0.00 0.00 30 S H H 78.63 1.51 23.09 22.83 92.05 49.96 -64.09 -39.94 0.45 0.00 99.55 0.03 0.02 0.32 99.42 0.21 0.00 0.00 0.00 31 E H H 48.04 13.10 19.50 32.89 92.12 48.88 -66.08 -40.37 0.11 0.00 99.89 0.01 0.00 0.07 99.79 0.12 0.00 0.00 0.00 32 N H H 13.55 20.55 16.29 36.82 91.70 51.34 -63.45 -41.87 0.06 0.00 99.94 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 33 L H H 83.49 4.14 24.54 28.44 91.36 50.24 -63.75 -41.52 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 34 D H H 59.79 5.14 23.77 29.20 91.44 50.48 -63.82 -42.16 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 35 F H H 13.50 20.31 17.40 37.93 91.51 50.24 -63.66 -42.54 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 36 L H H 50.88 10.79 21.01 32.39 91.48 50.24 -63.75 -41.45 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 37 K H H 112.46 2.05 23.85 24.02 91.72 50.38 -64.41 -41.41 0.24 0.00 99.76 0.01 0.01 0.18 99.75 0.04 0.00 0.00 0.00 38 C H H 19.13 10.74 16.07 29.01 91.91 50.10 -64.47 -40.74 0.36 0.00 99.64 0.02 0.02 0.28 99.53 0.15 0.00 0.00 0.00 39 K H H 57.26 14.52 13.13 27.78 91.76 52.90 -64.58 -37.92 0.78 0.00 99.22 0.03 0.03 0.66 98.76 0.52 0.00 0.00 0.00 40 K H H 151.13 1.58 16.95 18.40 92.33 51.01 -68.32 -34.77 3.73 0.00 96.27 0.06 0.11 3.64 95.63 0.56 0.00 0.00 0.00 41 K H H 150.17 1.21 15.90 16.15 96.98 40.36 -85.63 -24.62 12.01 0.01 87.98 0.22 0.92 10.78 87.71 0.35 0.01 0.00 0.00 42 D C C 60.07 8.37 11.05 20.94 115.71 24.47 -134.45 96.36 99.38 0.10 0.52 65.70 31.58 1.98 0.52 0.08 0.00 0.02 0.12 43 P C S 105.31 3.69 13.34 19.01 95.12 -166.81 -67.41 -14.82 99.86 0.05 0.10 24.11 61.86 13.89 0.02 0.06 0.00 0.02 0.03 44 N C C 78.72 4.13 16.10 21.47 107.35 98.99 -102.63 101.61 99.82 0.06 0.11 80.10 19.13 0.59 0.05 0.04 0.00 0.02 0.07 45 P H H 51.78 14.69 11.12 26.18 93.24 -167.62 -62.53 -32.21 15.96 0.04 84.01 2.82 2.04 9.88 65.01 20.20 0.01 0.02 0.03 46 E H H 128.55 2.51 18.54 21.29 91.91 57.39 -63.99 -40.24 6.97 0.01 93.01 0.50 0.45 5.34 73.34 20.35 0.00 0.01 0.00 47 K H H 107.91 3.27 20.32 23.30 92.43 48.94 -66.54 -39.73 5.08 0.02 94.91 0.45 0.34 3.74 73.94 21.51 0.00 0.01 0.00 48 C H H 9.06 18.86 13.32 32.64 93.12 50.63 -66.30 -39.32 8.24 0.03 91.73 1.19 0.70 5.73 79.18 13.17 0.00 0.02 0.01 49 L H H 50.78 12.24 18.91 31.56 92.45 53.53 -63.48 -42.56 3.49 0.02 96.49 1.25 0.76 1.31 96.16 0.50 0.00 0.00 0.01 50 D H H 91.67 1.96 25.43 25.59 92.03 49.37 -64.22 -41.77 0.69 0.00 99.31 0.09 0.07 0.40 99.25 0.19 0.00 0.00 0.00 51 K H H 68.84 10.31 22.24 32.82 91.96 48.89 -65.11 -41.16 0.29 0.00 99.71 0.03 0.02 0.17 99.56 0.22 0.00 0.00 0.00 52 G H H 4.38 21.84 16.92 38.87 91.41 52.28 -62.66 -42.60 0.25 0.00 99.75 0.03 0.01 0.14 99.71 0.11 0.00 0.00 0.00 53 R H H 112.70 7.19 24.53 31.83 91.65 50.54 -63.78 -41.43 0.15 0.00 99.85 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 54 D H H 74.11 4.22 25.93 29.95 91.71 50.12 -64.18 -41.83 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 55 V H H 11.37 19.94 20.33 40.11 91.91 49.80 -64.48 -43.28 0.26 0.00 99.74 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 56 T H H 26.94 17.40 21.47 38.22 91.87 50.31 -63.94 -42.15 0.32 0.00 99.68 0.03 0.01 0.18 99.73 0.04 0.00 0.00 0.00 57 R H H 139.73 2.93 25.98 28.57 91.47 50.79 -63.86 -41.23 0.36 0.00 99.64 0.03 0.01 0.23 99.64 0.09 0.00 0.00 0.00 58 C H H 35.97 9.93 22.81 33.57 91.81 49.78 -64.92 -42.31 0.57 0.00 99.43 0.06 0.02 0.37 99.40 0.15 0.00 0.00 0.00 59 V H H 10.43 22.16 19.68 41.34 91.83 49.58 -65.21 -42.23 0.70 0.00 99.30 0.09 0.04 0.44 99.25 0.19 0.00 0.00 0.00 60 L H H 56.14 12.06 22.37 34.36 91.71 51.33 -63.34 -41.54 0.47 0.00 99.53 0.05 0.02 0.29 99.49 0.15 0.00 0.00 0.00 61 G H H 33.01 3.48 24.60 27.64 91.50 50.83 -63.93 -41.51 0.85 0.00 99.15 0.07 0.03 0.61 99.12 0.16 0.00 0.00 0.00 62 L H H 24.42 15.71 20.50 36.38 91.95 50.09 -64.40 -42.68 0.73 0.00 99.27 0.07 0.03 0.51 99.18 0.20 0.00 0.00 0.00 63 L H H 20.16 20.75 18.75 38.83 91.89 50.93 -63.55 -41.82 0.31 0.00 99.69 0.04 0.02 0.18 99.63 0.13 0.00 0.00 0.00 64 K H H 109.48 4.18 23.16 27.38 91.60 50.62 -63.59 -41.46 0.30 0.00 99.70 0.03 0.01 0.19 99.61 0.16 0.00 0.00 0.00 65 D H H 69.39 4.39 22.60 26.96 91.80 49.10 -64.70 -40.74 0.52 0.00 99.48 0.04 0.02 0.36 99.31 0.26 0.00 0.00 0.00 66 L H H 8.36 20.96 15.76 37.08 91.68 50.58 -63.91 -42.84 0.65 0.00 99.35 0.06 0.04 0.45 98.90 0.55 0.00 0.00 0.00 67 H H H 69.57 14.37 17.29 31.34 91.48 51.42 -63.62 -38.34 1.69 0.00 98.31 0.13 0.09 1.35 97.46 0.96 0.00 0.00 0.00 68 Q H H 126.01 1.57 20.84 21.08 93.05 49.37 -69.26 -36.18 7.02 0.00 92.97 0.17 0.27 6.78 91.62 1.15 0.01 0.00 0.00 69 K H H 113.21 5.19 18.85 24.63 98.80 34.81 -90.41 -27.25 16.54 0.01 83.45 0.31 1.31 15.12 82.36 0.86 0.02 0.00 0.01 70 C C C 12.80 19.45 11.33 30.78 104.27 36.40 -116.23 28.19 70.67 0.60 28.73 30.84 14.02 26.02 26.32 2.06 0.01 0.15 0.58 71 T H H 65.36 8.67 15.97 26.12 93.54 124.87 -59.53 -41.86 4.40 0.01 95.58 2.75 0.43 1.08 95.34 0.39 0.00 0.00 0.01 72 K H H 143.46 1.35 21.67 21.34 92.13 50.31 -64.60 -40.12 0.60 0.00 99.40 0.06 0.04 0.38 99.28 0.24 0.00 0.00 0.00 73 E H H 54.69 11.94 18.68 31.13 92.21 48.48 -65.87 -40.45 0.28 0.00 99.72 0.04 0.01 0.16 99.57 0.22 0.00 0.00 0.00 74 M H H 15.31 21.22 15.46 36.37 91.90 50.37 -63.83 -41.84 0.10 0.00 99.90 0.01 0.00 0.05 99.87 0.06 0.00 0.00 0.00 75 D H H 80.91 4.83 23.29 28.40 91.52 50.84 -63.90 -40.63 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 76 D H H 74.96 4.56 23.83 28.32 91.70 49.73 -64.53 -41.50 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 77 Y H H 18.64 20.41 18.91 39.03 92.03 49.11 -64.76 -42.67 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 78 V H H 30.07 15.24 21.04 36.25 91.22 50.89 -62.86 -42.67 0.24 0.00 99.76 0.01 0.01 0.20 99.76 0.04 0.00 0.00 0.00 79 G H H 31.01 3.41 24.32 27.37 91.23 51.34 -63.08 -41.45 1.57 0.00 98.43 0.05 0.06 1.42 98.30 0.17 0.00 0.00 0.00 80 C H H 15.59 12.41 18.45 32.66 91.66 50.88 -63.96 -41.57 0.90 0.00 99.10 0.05 0.05 0.71 98.38 0.80 0.00 0.00 0.00 81 M H H 21.21 19.37 15.66 34.96 91.96 51.67 -65.33 -39.44 1.47 0.00 98.53 0.07 0.08 1.25 96.65 1.95 0.00 0.00 0.00 82 Y H H 126.66 5.84 19.45 25.85 93.73 48.52 -70.62 -36.39 5.02 0.00 94.97 0.16 0.23 4.62 93.35 1.63 0.00 0.00 0.00 83 Y H H 145.24 2.66 18.64 21.02 98.65 37.14 -88.45 -30.11 16.00 0.03 83.97 0.66 1.71 13.40 83.22 0.95 0.03 0.01 0.02 84 H C C 73.17 9.17 12.98 23.48 109.74 27.43 -126.00 67.92 87.55 0.67 11.78 53.52 12.73 20.39 10.56 1.82 0.00 0.19 0.78 85 T C T 74.18 9.77 14.42 24.84 97.37 -134.50 -29.82 33.54 97.65 0.13 2.22 6.09 9.46 82.37 0.62 1.31 0.00 0.07 0.08 86 N C T 98.39 8.61 15.56 24.96 94.46 -33.51 63.38 21.17 98.41 0.08 1.51 4.46 13.75 80.39 0.27 1.04 0.00 0.04 0.05 87 E C C 92.10 5.19 18.78 24.92 107.98 121.90 -105.18 96.78 96.55 0.39 3.07 84.23 10.78 1.65 1.87 0.87 0.00 0.09 0.50 88 F H H 68.23 16.73 12.01 28.38 94.00 -173.72 -63.81 -35.17 16.30 0.08 83.63 5.01 2.72 8.19 73.42 10.56 0.01 0.03 0.05 89 D H H 101.73 1.97 20.11 21.56 91.51 58.95 -63.80 -38.47 6.60 0.02 93.38 0.64 0.53 4.68 80.66 13.48 0.01 0.01 0.01 90 L H H 65.61 6.19 18.56 25.92 92.04 49.12 -66.41 -37.66 4.85 0.01 95.14 0.34 0.33 3.60 82.44 13.28 0.01 0.01 0.00 91 C H H 6.26 21.89 12.13 34.06 93.09 50.69 -71.14 -31.71 10.29 0.03 89.68 1.09 0.89 7.69 80.79 9.49 0.01 0.02 0.01 92 R H H 105.09 9.07 19.49 29.11 92.08 58.79 -62.56 -41.47 2.65 0.02 97.34 1.00 0.35 0.98 97.18 0.48 0.00 0.01 0.00 93 K H H 128.00 1.57 23.82 23.27 91.67 50.17 -64.53 -41.41 0.58 0.00 99.42 0.16 0.05 0.25 99.30 0.24 0.00 0.00 0.00 94 E H H 43.36 14.13 19.04 33.36 91.97 48.78 -65.43 -40.79 0.41 0.00 99.59 0.08 0.03 0.20 99.43 0.26 0.00 0.00 0.00 95 Q H H 30.07 19.30 17.13 35.84 91.58 52.08 -62.88 -41.97 0.44 0.00 99.56 0.07 0.03 0.22 99.52 0.15 0.00 0.00 0.00 96 Q H H 95.20 3.01 23.62 25.86 91.58 50.73 -63.58 -41.47 0.37 0.00 99.63 0.05 0.02 0.19 99.66 0.08 0.00 0.00 0.00 97 A H H 41.53 5.05 21.38 27.13 91.33 50.49 -63.99 -41.59 0.51 0.00 99.49 0.06 0.03 0.32 99.41 0.18 0.00 0.00 0.00 98 F H H 9.03 22.68 14.53 37.41 91.86 50.13 -64.11 -42.23 0.71 0.00 99.29 0.07 0.04 0.48 98.91 0.49 0.00 0.00 0.00 99 E H H 80.07 12.59 18.05 30.53 91.08 52.52 -63.97 -36.18 2.44 0.00 97.55 0.18 0.13 1.93 96.52 1.23 0.00 0.00 0.00 100 K H H 151.94 1.20 21.45 20.92 92.06 52.00 -69.76 -30.71 15.26 0.01 84.73 0.35 0.51 14.60 83.02 1.50 0.01 0.00 0.00 101 K H H 84.55 10.03 17.24 27.76 97.46 44.49 -87.77 -20.55 32.13 0.10 67.77 1.83 3.15 26.75 66.42 1.71 0.04 0.03 0.07 102 C C S 16.93 20.94 10.88 30.71 109.83 67.28 -103.84 97.79 83.28 5.14 11.58 32.69 42.30 8.30 9.85 2.02 0.05 1.82 2.98 103 S C C 62.22 5.50 18.03 24.39 107.58 -153.56 -77.65 111.78 87.64 7.30 5.06 69.27 7.81 10.31 2.86 2.05 0.00 4.66 3.03 104 L C C 77.42 12.60 10.28 22.80 108.72 -167.59 -88.90 98.45 92.75 3.87 3.38 86.04 1.90 5.36 1.63 1.13 0.00 2.33 1.60 105 E C C 136.87 3.16 15.49 19.93 109.18 90.78 -85.49 111.76 99.94 0.05 0.01 99.89 0.05 0.03 0.00 0.00 0.00 0.03 0.00