# 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 91.60 8.62 11.70 21.39 112.54 -156.66 -95.03 125.47 99.94 0.04 0.02 99.88 0.06 0.03 0.01 0.00 0.00 0.01 0.01 1 D C C 85.10 3.20 13.68 17.75 111.75 -131.95 -81.83 136.09 85.83 0.36 13.81 82.99 0.45 2.43 13.41 0.44 0.00 0.11 0.18 2 L H H 93.20 7.01 10.58 18.98 93.73 -131.45 -63.36 -34.56 17.41 0.07 82.52 7.38 2.19 7.49 81.04 1.83 0.00 0.03 0.04 3 I H H 100.39 3.35 13.01 17.42 92.38 55.06 -65.39 -38.79 7.62 0.03 92.34 2.01 0.97 4.31 90.46 2.22 0.00 0.02 0.01 4 K H H 115.04 2.42 15.01 17.73 92.28 51.32 -65.68 -40.20 3.05 0.02 96.93 0.93 0.37 1.63 94.50 2.55 0.00 0.01 0.01 5 Y H H 93.95 7.14 14.30 22.74 92.33 50.26 -65.22 -41.15 1.92 0.01 98.07 0.43 0.18 1.14 96.76 1.48 0.00 0.00 0.00 6 F H H 78.29 9.27 14.79 25.16 92.24 49.81 -65.87 -40.24 2.37 0.01 97.62 0.34 0.17 1.70 96.99 0.79 0.00 0.00 0.00 7 T H H 71.22 3.15 18.22 21.37 92.18 50.34 -64.74 -41.90 1.74 0.00 98.26 0.24 0.12 1.18 98.08 0.36 0.00 0.00 0.00 8 F H H 105.49 3.56 19.50 22.91 91.90 49.42 -64.49 -41.98 0.67 0.00 99.33 0.10 0.04 0.40 99.25 0.21 0.00 0.00 0.00 9 S H H 23.30 13.03 15.54 29.66 91.80 50.74 -64.15 -41.23 0.69 0.00 99.31 0.08 0.03 0.46 99.25 0.18 0.00 0.00 0.00 10 M H H 76.83 8.19 18.33 27.30 91.86 51.21 -64.43 -40.70 0.44 0.00 99.56 0.03 0.02 0.30 99.50 0.14 0.00 0.00 0.00 11 I H H 94.29 2.70 21.35 23.05 91.78 49.90 -64.00 -42.18 0.18 0.00 99.82 0.01 0.00 0.10 99.79 0.08 0.00 0.00 0.00 12 I H H 59.99 9.37 18.90 28.99 91.79 49.48 -64.48 -42.17 0.13 0.00 99.87 0.01 0.00 0.08 99.83 0.07 0.00 0.00 0.00 13 F H H 53.10 15.33 17.28 32.46 91.61 49.79 -64.18 -41.56 0.18 0.00 99.82 0.01 0.00 0.13 99.78 0.08 0.00 0.00 0.00 14 I H H 85.84 4.63 21.93 26.39 91.92 49.36 -64.58 -41.72 0.27 0.00 99.73 0.01 0.01 0.20 99.71 0.07 0.00 0.00 0.00 15 L H H 82.14 3.95 22.58 26.09 91.60 49.73 -64.50 -41.93 0.25 0.00 99.75 0.01 0.01 0.19 99.69 0.10 0.00 0.00 0.00 16 G H H 10.13 16.12 16.13 33.04 91.69 51.33 -63.91 -42.07 0.43 0.00 99.57 0.03 0.01 0.33 99.43 0.19 0.00 0.00 0.00 17 I H H 64.69 9.75 20.08 30.32 91.72 49.84 -64.16 -41.88 0.54 0.00 99.46 0.03 0.02 0.45 99.19 0.31 0.00 0.00 0.00 18 W H H 139.66 2.68 22.95 24.23 91.83 49.62 -64.34 -41.70 0.76 0.00 99.24 0.05 0.04 0.62 98.66 0.62 0.00 0.00 0.00 19 G H H 16.67 9.56 16.64 27.99 91.83 51.21 -64.04 -41.21 1.94 0.00 98.05 0.11 0.10 1.65 96.67 1.45 0.00 0.00 0.00 20 I H H 42.83 14.33 14.60 29.29 92.33 50.19 -65.94 -38.38 4.08 0.01 95.92 0.15 0.22 3.76 93.86 1.99 0.01 0.00 0.00 21 L H H 99.61 4.23 17.49 22.23 93.10 49.94 -70.37 -30.79 11.32 0.02 88.66 0.53 0.87 9.97 86.36 2.21 0.03 0.01 0.02 22 L H H 109.08 2.40 16.60 18.89 96.18 49.96 -85.08 -15.80 40.45 0.34 59.21 4.42 6.42 29.71 56.37 2.62 0.10 0.12 0.25 23 N C C 60.57 10.77 10.81 22.39 107.40 75.26 -92.46 93.54 79.07 1.47 19.46 40.61 9.50 28.76 16.68 2.93 0.00 0.63 0.89 24 R C T 145.03 5.43 12.90 19.87 100.43 126.06 -79.87 -5.90 92.48 1.13 6.39 35.49 15.50 42.18 3.57 2.18 0.00 0.54 0.54 25 R C S 167.55 2.84 14.93 18.30 98.77 58.76 -83.27 -12.48 94.32 0.68 5.00 20.28 37.74 36.94 2.12 2.25 0.00 0.32 0.35 26 N C C 70.82 5.38 14.04 21.08 115.98 74.14 -109.66 122.62 94.86 2.36 2.78 75.35 17.49 1.44 2.37 0.55 0.00 0.64 2.16 27 I H H 87.36 9.44 12.71 23.41 93.32 -146.10 -61.90 -37.03 2.91 0.01 97.09 0.50 0.48 1.67 96.97 0.37 0.00 0.00 0.00 28 L H H 106.78 2.45 17.55 19.97 91.85 54.03 -64.08 -40.55 1.11 0.00 98.89 0.12 0.08 0.75 98.69 0.36 0.00 0.00 0.00 29 I H H 67.53 5.81 17.57 24.61 92.04 48.36 -65.78 -40.36 0.29 0.00 99.71 0.03 0.02 0.18 99.44 0.33 0.00 0.00 0.00 30 M H H 27.68 16.61 14.73 31.63 91.53 51.68 -63.26 -42.65 0.18 0.00 99.82 0.02 0.01 0.10 99.72 0.15 0.00 0.00 0.00 31 L H H 62.78 10.47 19.36 30.38 91.65 50.48 -63.74 -41.54 0.22 0.00 99.78 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 32 M H H 97.40 3.31 23.16 25.54 91.68 49.76 -64.63 -40.99 0.37 0.00 99.63 0.02 0.01 0.27 99.65 0.05 0.00 0.00 0.00 33 S H H 22.03 11.53 19.12 31.98 91.81 50.74 -64.68 -41.80 0.43 0.00 99.57 0.05 0.01 0.27 99.63 0.04 0.00 0.00 0.00 34 I H H 27.26 17.56 18.85 36.17 91.67 50.06 -63.93 -41.95 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 79.38 9.05 21.55 30.84 91.65 51.31 -63.66 -41.55 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.01 0.00 0.00 0.00 36 L H H 82.20 4.58 23.45 27.70 91.90 49.41 -64.71 -41.71 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 37 M H H 46.95 13.52 20.26 33.88 92.08 50.19 -64.49 -41.92 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 37.72 16.50 19.09 35.17 91.77 50.26 -63.93 -41.65 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 39 L H H 83.47 5.35 23.19 28.57 91.82 49.84 -64.55 -40.97 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 40 A H H 41.59 6.20 22.14 28.92 91.58 50.71 -64.27 -42.02 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.05 0.00 0.00 0.00 41 V H H 28.48 15.49 19.69 35.17 91.97 49.49 -64.60 -42.07 0.32 0.00 99.68 0.02 0.01 0.21 99.69 0.07 0.00 0.00 0.00 42 N H H 47.53 13.59 20.09 33.56 91.67 51.21 -63.35 -41.53 0.49 0.00 99.51 0.04 0.02 0.34 99.48 0.12 0.00 0.00 0.00 43 L H H 84.50 4.22 23.46 27.41 91.82 50.50 -64.47 -41.21 0.46 0.00 99.54 0.03 0.02 0.34 99.41 0.20 0.00 0.00 0.00 44 N H H 58.41 8.75 21.38 30.48 92.14 50.54 -64.99 -40.98 0.72 0.00 99.28 0.04 0.03 0.58 98.95 0.39 0.00 0.00 0.00 45 F H H 46.76 16.14 18.32 34.16 92.04 49.95 -64.77 -41.68 0.86 0.00 99.14 0.04 0.03 0.74 98.60 0.58 0.00 0.00 0.00 46 L H H 70.06 9.16 19.94 29.58 92.09 50.64 -64.26 -41.15 1.69 0.00 98.30 0.09 0.09 1.42 97.55 0.85 0.00 0.00 0.00 47 V H H 75.98 3.55 21.53 24.61 92.11 49.94 -64.73 -42.13 4.20 0.01 95.79 0.24 0.28 3.49 94.61 1.36 0.01 0.00 0.00 48 F H H 69.24 8.86 18.10 27.93 92.37 49.35 -66.10 -40.30 7.89 0.03 92.09 0.78 0.85 5.99 89.04 3.30 0.02 0.01 0.01 49 S H H 21.14 13.04 13.02 27.32 92.06 52.30 -65.91 -38.78 13.06 0.07 86.87 2.19 1.47 9.01 80.27 6.97 0.03 0.03 0.03 50 V H H 90.31 3.84 15.73 20.54 93.18 51.55 -67.26 -37.75 19.34 0.10 80.57 2.50 2.22 14.17 72.71 8.23 0.05 0.05 0.06 51 S H H 80.08 1.90 15.32 17.26 93.94 49.82 -71.73 -30.34 29.96 0.18 69.86 3.97 4.30 21.96 63.24 6.25 0.08 0.08 0.13 52 L C T 83.30 6.00 11.52 19.15 98.20 44.55 -94.01 -1.04 67.71 0.43 31.87 11.94 16.64 39.03 27.85 4.01 0.02 0.14 0.36 53 D C T 124.51 1.53 14.97 16.99 94.91 -125.99 54.31 39.21 95.55 0.22 4.23 39.16 13.00 43.85 2.54 1.21 0.00 0.09 0.14 54 D C C 59.99 8.55 11.64 21.71 115.22 139.92 -112.13 120.27 92.06 0.51 7.43 74.67 10.82 6.34 5.87 1.68 0.00 0.17 0.44 55 M H H 116.92 5.01 16.02 21.85 94.06 -148.39 -65.81 -30.04 29.70 0.24 70.07 11.67 7.49 11.64 66.62 2.32 0.02 0.08 0.14 56 M H H 95.29 5.72 17.97 24.51 92.35 57.20 -65.00 -39.31 11.39 0.05 88.56 2.45 1.70 7.10 87.02 1.66 0.01 0.02 0.03 57 G H H 11.31 14.03 14.60 29.80 91.80 52.05 -64.06 -39.54 5.21 0.02 94.77 1.49 0.65 2.85 93.34 1.64 0.00 0.01 0.01 58 Q H H 78.48 8.46 19.31 28.38 92.11 52.25 -64.66 -40.13 1.64 0.00 98.36 0.45 0.18 0.86 97.63 0.87 0.00 0.00 0.00 59 V H H 67.21 6.27 21.54 27.45 91.98 51.13 -64.95 -42.23 0.92 0.00 99.07 0.19 0.08 0.55 98.75 0.43 0.00 0.00 0.00 60 F H H 71.69 11.21 20.23 31.73 91.80 50.04 -64.26 -41.60 0.52 0.00 99.48 0.08 0.03 0.32 99.35 0.22 0.00 0.00 0.00 61 A H H 24.86 13.87 17.93 32.34 91.62 51.87 -63.57 -41.32 0.32 0.00 99.68 0.04 0.01 0.20 99.60 0.15 0.00 0.00 0.00 62 L H H 81.40 6.20 22.65 28.80 91.87 50.46 -64.67 -41.21 0.36 0.00 99.64 0.03 0.01 0.27 99.56 0.13 0.00 0.00 0.00 63 L H H 68.96 8.97 21.83 30.73 91.86 50.37 -64.58 -41.68 0.33 0.00 99.67 0.03 0.01 0.23 99.65 0.08 0.00 0.00 0.00 64 V H H 36.86 15.13 19.40 34.38 91.88 50.33 -64.31 -42.27 0.26 0.00 99.74 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 65 L H H 72.60 9.17 22.47 31.71 91.89 49.70 -63.96 -41.52 0.28 0.00 99.72 0.04 0.02 0.17 99.72 0.06 0.00 0.00 0.00 66 T H H 61.23 6.35 23.57 29.63 92.00 49.27 -64.76 -42.25 0.33 0.00 99.67 0.05 0.02 0.20 99.67 0.05 0.00 0.00 0.00 67 V H H 43.06 12.96 21.68 34.62 92.27 49.24 -64.98 -42.21 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 68 A H H 28.70 12.89 20.75 33.90 91.53 50.80 -63.13 -41.91 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 69 A H H 51.21 5.30 24.40 29.42 91.70 50.08 -63.96 -41.55 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 70 A H H 37.02 8.82 22.01 31.26 91.82 49.92 -64.46 -42.12 0.24 0.00 99.76 0.02 0.01 0.15 99.76 0.05 0.00 0.00 0.00 71 E H H 57.78 13.76 20.61 34.07 91.92 50.29 -63.78 -41.72 0.34 0.00 99.66 0.03 0.01 0.24 99.66 0.07 0.00 0.00 0.00 72 S H H 50.32 7.09 22.45 29.78 91.69 50.54 -64.14 -41.10 0.68 0.00 99.32 0.06 0.03 0.47 99.34 0.09 0.00 0.00 0.00 73 A H H 52.71 5.11 22.54 27.15 91.83 50.04 -64.69 -41.68 0.69 0.00 99.31 0.07 0.03 0.46 99.35 0.09 0.00 0.00 0.00 74 I H H 60.67 10.53 20.41 31.16 91.89 48.99 -64.65 -41.83 0.41 0.00 99.59 0.04 0.02 0.26 99.61 0.07 0.00 0.00 0.00 75 G H H 22.09 10.39 18.69 29.80 91.45 51.93 -62.97 -41.92 0.38 0.00 99.62 0.04 0.01 0.23 99.65 0.07 0.00 0.00 0.00 76 L H H 87.18 3.82 22.10 25.57 91.71 50.30 -64.48 -41.49 0.24 0.00 99.76 0.02 0.01 0.14 99.77 0.05 0.00 0.00 0.00 77 A H H 42.91 6.73 18.96 26.29 91.81 50.84 -64.11 -41.91 0.19 0.00 99.81 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 78 I H H 61.11 9.83 17.89 28.38 91.79 49.66 -64.50 -41.79 0.19 0.00 99.81 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 79 F H H 100.30 5.39 18.80 24.47 91.78 50.11 -64.14 -41.64 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 80 V H H 73.68 3.36 18.28 21.58 91.76 49.88 -63.97 -42.27 0.31 0.00 99.69 0.03 0.01 0.19 99.68 0.08 0.00 0.00 0.00 81 I H H 64.71 6.35 15.50 23.22 91.95 49.12 -64.21 -41.73 0.62 0.00 99.38 0.06 0.03 0.42 99.32 0.16 0.00 0.00 0.00 82 T H H 55.59 6.43 13.87 21.57 91.97 50.23 -64.08 -41.27 1.50 0.00 98.49 0.18 0.11 1.05 98.34 0.32 0.00 0.00 0.00 83 F H H 124.74 2.24 13.97 16.54 92.85 49.58 -65.57 -39.38 2.74 0.02 97.25 0.43 0.29 1.87 96.69 0.71 0.00 0.01 0.00 84 R H H 152.41 1.99 12.52 14.91 93.18 50.06 -67.95 -36.71 6.38 0.03 93.59 0.97 0.69 4.46 92.52 1.32 0.01 0.01 0.01 85 V H H 96.86 3.57 10.50 15.39 96.07 47.94 -75.55 -28.57 16.03 0.07 83.89 2.94 1.56 10.74 83.47 1.21 0.01 0.03 0.04 86 R H H 162.57 2.41 9.94 13.45 98.89 52.28 -83.31 -6.57 40.40 0.18 59.42 18.80 1.70 18.27 60.09 0.95 0.00 0.05 0.14 87 G C C 51.65 2.84 12.87 16.95 106.92 -116.40 75.29 -12.27 99.97 0.01 0.02 99.82 0.05 0.11 0.01 0.00 0.00 0.00 0.00