# 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 91.13 8.58 11.92 21.55 111.86 -154.38 -91.97 124.64 99.93 0.03 0.04 99.85 0.06 0.04 0.03 0.00 0.00 0.01 0.00 1 D C C 84.70 3.13 13.88 17.74 111.92 -128.47 -79.56 149.34 76.32 0.34 23.34 71.69 0.62 3.41 23.38 0.62 0.00 0.10 0.18 2 L H H 94.39 7.09 10.63 18.99 93.93 -116.77 -62.77 -35.29 15.49 0.07 84.44 6.37 2.12 6.68 83.08 1.69 0.00 0.03 0.04 3 I H H 101.43 3.18 13.22 17.34 92.32 54.35 -65.37 -39.09 6.67 0.03 93.29 1.94 0.88 3.57 91.65 1.92 0.00 0.01 0.01 4 K H H 112.51 2.62 15.13 18.13 92.26 51.21 -65.68 -40.06 2.66 0.02 97.32 0.86 0.32 1.37 95.47 1.96 0.00 0.01 0.00 5 Y H H 86.39 8.25 14.28 23.79 92.19 50.35 -64.82 -41.49 1.44 0.01 98.56 0.36 0.13 0.80 97.84 0.86 0.00 0.00 0.00 6 F H H 78.76 9.35 15.31 25.63 92.27 49.75 -65.63 -40.36 1.33 0.00 98.67 0.22 0.09 0.86 98.37 0.46 0.00 0.00 0.00 7 T H H 71.13 3.04 18.74 21.64 92.17 50.03 -64.59 -41.88 1.04 0.00 98.96 0.14 0.07 0.69 98.86 0.24 0.00 0.00 0.00 8 F H H 100.04 4.36 19.60 24.02 91.91 49.34 -64.65 -41.91 0.47 0.00 99.53 0.06 0.03 0.29 99.47 0.15 0.00 0.00 0.00 9 S H H 21.40 13.98 15.74 30.63 91.78 50.94 -64.31 -41.31 0.50 0.00 99.50 0.05 0.02 0.34 99.47 0.13 0.00 0.00 0.00 10 M H H 78.78 7.89 18.96 27.49 91.92 51.06 -64.34 -40.86 0.33 0.00 99.67 0.02 0.01 0.23 99.63 0.10 0.00 0.00 0.00 11 I H H 93.71 2.78 21.72 23.42 91.65 49.88 -64.38 -42.34 0.14 0.00 99.86 0.01 0.00 0.09 99.83 0.07 0.00 0.00 0.00 12 I H H 55.04 10.57 18.89 30.04 91.91 49.27 -64.72 -42.07 0.13 0.00 99.87 0.01 0.00 0.09 99.84 0.06 0.00 0.00 0.00 13 F H H 51.78 15.73 17.56 33.02 91.69 49.84 -64.24 -41.53 0.19 0.00 99.81 0.01 0.00 0.14 99.78 0.07 0.00 0.00 0.00 14 I H H 87.34 4.29 22.43 26.49 91.99 49.77 -64.60 -41.70 0.25 0.00 99.75 0.01 0.01 0.19 99.72 0.06 0.00 0.00 0.00 15 L H H 80.21 4.32 22.76 26.73 91.62 49.51 -64.72 -41.65 0.22 0.00 99.78 0.01 0.01 0.16 99.73 0.09 0.00 0.00 0.00 16 G H H 8.34 17.42 16.18 34.23 91.66 51.20 -64.02 -42.07 0.33 0.00 99.67 0.02 0.01 0.25 99.56 0.16 0.00 0.00 0.00 17 I H H 64.99 9.79 20.54 30.74 91.62 49.71 -63.99 -41.86 0.39 0.00 99.61 0.02 0.01 0.33 99.41 0.23 0.00 0.00 0.00 18 W H H 140.93 2.47 23.59 24.43 91.77 49.33 -64.19 -41.62 0.59 0.00 99.40 0.03 0.03 0.50 99.00 0.43 0.00 0.00 0.00 19 G H H 13.95 10.56 16.74 29.13 91.68 50.86 -64.11 -41.21 1.65 0.00 98.35 0.09 0.08 1.43 97.40 1.00 0.00 0.00 0.00 20 I H H 37.75 15.65 14.55 30.31 92.05 50.49 -65.76 -39.21 3.49 0.01 96.51 0.12 0.19 3.27 94.88 1.53 0.01 0.00 0.00 21 L H H 101.60 3.82 18.12 22.39 92.93 48.63 -70.29 -32.37 10.04 0.02 89.94 0.38 0.72 9.05 87.93 1.87 0.03 0.00 0.01 22 L H H 110.41 2.18 17.25 19.02 95.41 46.71 -83.18 -19.46 35.70 0.19 64.10 2.64 4.90 28.06 61.76 2.33 0.09 0.06 0.15 23 N C C 55.67 11.53 11.13 23.30 106.60 59.28 -100.26 81.30 78.73 1.15 20.12 38.19 9.10 31.21 17.44 2.81 0.00 0.46 0.78 24 R C T 138.56 6.44 13.10 21.02 98.24 155.90 -75.10 -13.16 95.18 0.89 3.92 34.72 13.50 47.46 2.04 1.41 0.00 0.43 0.44 25 R C T 170.05 2.61 15.85 18.87 98.23 55.24 -84.36 -11.32 96.54 0.66 2.80 16.55 37.86 42.56 0.97 1.44 0.00 0.34 0.29 26 N C C 67.46 6.21 14.00 22.00 114.16 81.94 -110.11 116.82 96.66 2.10 1.24 83.45 11.92 0.78 1.02 0.27 0.00 0.56 2.00 27 I H H 85.19 9.89 13.11 24.19 93.63 -154.25 -62.52 -36.77 3.19 0.01 96.80 0.59 0.56 1.81 96.68 0.35 0.00 0.00 0.00 28 L H H 103.55 2.97 17.91 21.14 91.75 54.12 -64.21 -40.56 1.15 0.00 98.84 0.11 0.08 0.80 98.67 0.33 0.00 0.00 0.00 29 I H H 65.91 6.46 17.98 25.57 91.92 48.24 -66.20 -40.26 0.27 0.00 99.73 0.03 0.02 0.17 99.50 0.29 0.00 0.00 0.00 30 M H H 29.36 16.63 15.32 32.16 91.80 51.81 -63.09 -42.72 0.14 0.00 99.86 0.02 0.01 0.08 99.78 0.11 0.00 0.00 0.00 31 L H H 60.75 11.02 19.76 31.16 91.75 50.33 -63.80 -41.59 0.15 0.00 99.85 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 32 M H H 92.94 4.10 23.25 26.72 91.62 49.58 -64.77 -41.24 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 33 S H H 21.17 12.09 19.46 32.72 91.73 50.84 -64.45 -41.86 0.29 0.00 99.71 0.03 0.01 0.18 99.74 0.03 0.00 0.00 0.00 34 I H H 29.25 17.16 19.60 36.46 91.80 49.99 -64.10 -41.88 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 35 E H H 74.74 9.89 21.64 31.74 91.68 51.59 -63.75 -41.63 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 36 L H H 78.65 5.34 23.54 28.73 91.84 49.43 -64.70 -41.56 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 37 M H H 48.34 13.43 20.89 34.31 91.99 49.86 -64.61 -41.93 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 38 L H H 36.37 16.77 19.58 35.88 91.87 50.27 -63.83 -41.71 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 39 L H H 78.50 6.51 23.23 29.89 91.86 49.87 -64.50 -40.80 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 40 A H H 40.35 6.63 22.46 29.63 91.60 50.60 -64.16 -42.06 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.05 0.00 0.00 0.00 41 V H H 29.62 15.29 20.42 35.59 91.92 49.46 -64.34 -42.03 0.30 0.00 99.70 0.02 0.01 0.19 99.71 0.06 0.00 0.00 0.00 42 N H H 43.86 14.39 20.36 34.53 91.76 50.81 -63.46 -41.67 0.41 0.00 99.59 0.04 0.01 0.28 99.55 0.12 0.00 0.00 0.00 43 L H H 80.34 5.09 23.56 28.55 91.79 50.31 -64.55 -41.36 0.40 0.00 99.60 0.02 0.01 0.31 99.47 0.18 0.00 0.00 0.00 44 N H H 58.95 8.77 21.97 31.03 91.99 50.18 -64.79 -41.22 0.74 0.00 99.26 0.04 0.03 0.62 98.98 0.33 0.00 0.00 0.00 45 F H H 44.71 16.39 18.84 34.87 92.01 50.08 -64.82 -41.54 0.86 0.00 99.14 0.04 0.04 0.74 98.69 0.50 0.00 0.00 0.00 46 L H H 64.81 10.27 20.09 30.67 92.10 50.90 -64.02 -41.51 1.54 0.00 98.46 0.09 0.08 1.29 97.76 0.78 0.00 0.00 0.00 47 V H H 74.27 3.84 21.98 25.43 91.94 49.65 -64.62 -42.15 3.47 0.00 96.52 0.20 0.22 2.89 95.40 1.28 0.00 0.00 0.00 48 F H H 68.51 8.92 18.63 28.46 92.35 49.31 -65.78 -40.17 6.18 0.02 93.81 0.59 0.62 4.68 91.14 2.94 0.01 0.01 0.01 49 S H H 19.93 13.66 13.17 28.00 91.80 52.07 -65.19 -38.78 11.44 0.05 88.51 1.71 1.17 8.09 82.49 6.47 0.02 0.02 0.02 50 V H H 88.77 4.26 15.94 21.18 93.04 51.33 -67.27 -37.48 19.31 0.07 80.62 2.12 1.98 14.69 73.56 7.53 0.05 0.03 0.05 51 S H H 79.97 1.90 15.58 17.47 94.13 49.53 -72.85 -29.66 31.00 0.16 68.84 4.03 4.33 22.90 62.77 5.72 0.07 0.07 0.12 52 L C T 81.47 6.36 11.45 19.39 98.37 44.94 -94.32 -2.65 68.33 0.46 31.21 15.75 17.46 35.37 27.22 3.66 0.02 0.15 0.38 53 D C C 123.91 1.64 15.03 17.29 95.36 -128.35 54.08 39.78 95.89 0.23 3.87 44.49 13.78 38.05 2.24 1.18 0.00 0.10 0.15 54 D C C 60.58 8.30 11.70 21.59 115.94 138.79 -112.64 126.94 92.86 0.53 6.61 75.04 11.99 5.59 5.26 1.47 0.00 0.17 0.47 55 M H H 118.49 4.76 15.76 21.42 94.07 -149.21 -65.62 -31.20 25.79 0.19 74.03 8.65 6.50 11.80 70.46 2.38 0.03 0.06 0.12 56 M H H 98.76 5.14 17.91 23.72 92.33 56.54 -65.40 -38.80 12.38 0.06 87.56 2.23 1.78 8.29 85.73 1.89 0.02 0.02 0.03 57 G H H 11.08 14.01 14.32 29.51 91.89 51.94 -64.35 -38.98 6.38 0.03 93.60 1.92 0.79 3.46 91.88 1.93 0.00 0.01 0.01 58 Q H H 76.63 8.81 18.80 28.27 92.06 52.48 -64.70 -40.21 1.71 0.00 98.28 0.51 0.18 0.86 97.58 0.86 0.00 0.00 0.00 59 V H H 68.18 5.84 21.47 26.93 91.93 51.11 -64.79 -42.33 0.85 0.00 99.14 0.17 0.07 0.51 98.81 0.45 0.00 0.00 0.00 60 F H H 74.07 10.43 20.18 31.05 91.84 49.73 -64.48 -41.49 0.51 0.00 99.49 0.07 0.03 0.33 99.28 0.29 0.00 0.00 0.00 61 A H H 22.80 14.32 17.52 32.42 91.65 51.54 -63.65 -41.41 0.35 0.00 99.65 0.03 0.01 0.24 99.49 0.22 0.00 0.00 0.00 62 L H H 80.96 6.22 22.41 28.63 91.85 50.40 -64.53 -41.23 0.54 0.00 99.46 0.03 0.02 0.44 99.32 0.19 0.00 0.00 0.00 63 L H H 70.36 8.42 21.73 30.11 91.88 50.18 -64.74 -41.94 0.52 0.00 99.48 0.04 0.02 0.39 99.42 0.13 0.00 0.00 0.00 64 V H H 37.81 14.75 19.19 33.90 91.87 49.85 -64.38 -42.28 0.38 0.00 99.62 0.04 0.02 0.24 99.63 0.07 0.00 0.00 0.00 65 L H H 70.22 9.61 21.83 31.59 91.89 49.68 -63.94 -41.30 0.33 0.00 99.67 0.05 0.02 0.20 99.66 0.08 0.00 0.00 0.00 66 T H H 61.23 6.33 23.25 29.22 91.81 49.10 -64.78 -42.23 0.33 0.00 99.67 0.05 0.02 0.20 99.66 0.06 0.00 0.00 0.00 67 V H H 44.95 12.27 21.63 34.06 92.25 49.14 -64.91 -42.28 0.18 0.00 99.82 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 68 A H H 27.65 13.14 20.35 33.81 91.54 50.79 -63.01 -42.01 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 69 A H H 50.88 5.54 24.07 29.35 91.62 50.03 -63.89 -41.71 0.20 0.00 99.79 0.02 0.01 0.13 99.80 0.05 0.00 0.00 0.00 70 A H H 37.65 8.50 22.33 31.21 91.56 50.00 -64.03 -42.40 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 71 E H H 55.12 14.06 20.68 34.42 91.91 50.54 -63.91 -41.71 0.25 0.00 99.75 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 72 S H H 47.50 8.27 22.18 30.72 91.62 50.15 -63.83 -41.11 0.54 0.00 99.46 0.04 0.02 0.40 99.45 0.09 0.00 0.00 0.00 73 A H H 52.20 5.36 22.86 27.75 91.76 50.11 -64.71 -41.65 0.69 0.00 99.31 0.05 0.03 0.50 99.33 0.09 0.00 0.00 0.00 74 I H H 61.92 10.28 21.37 31.79 91.97 49.40 -64.49 -41.73 0.36 0.00 99.64 0.04 0.02 0.23 99.65 0.06 0.00 0.00 0.00 75 G H H 19.18 11.93 18.93 31.38 91.51 51.66 -62.97 -42.28 0.30 0.00 99.70 0.03 0.01 0.18 99.72 0.05 0.00 0.00 0.00 76 L H H 83.96 5.02 22.41 27.35 91.80 49.88 -64.26 -41.24 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.05 0.00 0.00 0.00 77 A H H 42.43 7.08 20.14 27.71 91.78 50.88 -64.13 -41.74 0.18 0.00 99.82 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 78 I H H 57.36 10.80 19.06 30.24 91.71 49.91 -64.32 -41.97 0.20 0.00 99.80 0.02 0.00 0.12 99.82 0.04 0.00 0.00 0.00 79 F H H 87.13 8.32 19.30 27.97 91.73 50.25 -64.18 -41.73 0.24 0.00 99.76 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 80 V H H 69.74 4.77 19.54 24.49 91.90 49.76 -64.21 -42.12 0.40 0.00 99.60 0.04 0.02 0.25 99.60 0.09 0.00 0.00 0.00 81 I H H 64.33 6.69 17.87 25.56 91.90 49.29 -64.58 -41.89 0.86 0.00 99.14 0.09 0.05 0.60 99.05 0.21 0.00 0.00 0.00 82 T H H 43.69 8.70 15.57 25.54 91.95 49.78 -64.30 -41.47 2.28 0.02 97.71 0.25 0.19 1.66 97.43 0.47 0.00 0.01 0.00 83 F H H 96.86 5.50 15.30 21.89 92.45 49.49 -65.64 -39.93 4.33 0.08 95.59 0.81 0.54 2.86 94.82 0.88 0.01 0.04 0.02 84 R H H 142.38 3.37 15.15 19.13 92.88 50.49 -67.89 -37.08 7.26 0.09 92.65 1.34 0.90 5.06 91.28 1.31 0.03 0.05 0.03 85 V H H 89.47 4.34 14.02 19.41 96.59 43.52 -78.77 -31.76 13.83 0.12 86.05 1.76 1.74 10.31 84.75 1.29 0.04 0.05 0.06 86 R H H 142.55 3.95 13.30 18.17 99.42 41.93 -89.33 -11.17 33.07 0.30 66.62 4.89 6.13 21.92 65.45 1.28 0.05 0.11 0.17 87 G C C 42.02 5.03 13.61 19.90 109.15 -112.40 71.41 4.94 84.52 0.71 14.77 39.90 13.58 30.58 12.89 2.37 0.00 0.31 0.36 88 T C C 76.06 5.99 13.95 21.07 106.80 66.02 -88.36 41.16 69.73 2.40 27.86 47.74 12.97 8.00 25.93 3.19 0.01 1.18 0.99 89 I C H 80.85 7.73 13.30 22.19 99.54 71.89 -81.69 -19.76 52.28 2.55 45.17 32.13 12.32 8.20 41.95 3.18 0.03 1.35 0.84 90 A H H 49.45 6.09 14.88 22.46 95.97 73.99 -66.78 -37.00 37.37 1.22 61.41 28.09 4.43 5.29 57.67 3.49 0.01 0.72 0.31 91 V H H 69.98 5.82 13.98 21.27 93.46 55.10 -65.57 -39.83 10.98 0.38 88.64 6.54 1.80 3.49 81.76 6.05 0.01 0.27 0.08 92 E H H 105.53 3.08 15.25 19.06 92.64 52.27 -65.28 -40.20 7.04 0.22 92.74 3.26 1.04 2.99 85.61 6.88 0.01 0.17 0.04 93 F H H 104.17 3.97 13.92 19.09 93.20 49.99 -66.47 -39.80 7.84 0.19 91.97 3.28 1.14 3.61 84.30 7.47 0.01 0.14 0.05 94 I H H 80.77 5.02 12.10 18.80 93.08 51.02 -66.39 -39.96 9.90 0.18 89.92 3.71 1.59 4.95 83.83 5.74 0.02 0.11 0.06 95 N H H 99.08 2.58 12.38 15.96 93.37 51.73 -67.94 -34.62 17.84 0.22 81.94 5.58 2.53 10.08 76.22 5.34 0.03 0.12 0.10 96 S H H 76.18 2.09 11.20 14.16 94.83 54.01 -71.30 -29.51 29.49 0.34 70.17 7.95 4.32 17.68 64.03 5.62 0.05 0.17 0.18 97 I H H 116.38 3.05 9.50 13.95 98.59 54.36 -79.07 -20.28 41.04 1.00 57.96 15.82 7.36 19.56 52.27 3.97 0.07 0.46 0.50 98 Q C C 133.09 2.22 9.25 12.88 102.36 65.08 -84.31 3.47 68.27 0.75 30.97 45.51 2.13 18.85 31.17 1.60 0.00 0.35 0.38 99 G C C 51.02 3.03 12.32 16.75 112.15 -104.92 84.50 3.01 99.98 0.02 0.01 99.87 0.05 0.06 0.00 0.00 0.00 0.01 0.00