# 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 89.20 9.11 11.89 21.96 111.31 -149.30 -92.52 122.32 99.93 0.03 0.04 99.86 0.06 0.04 0.02 0.00 0.00 0.01 0.01 1 D C C 84.17 3.20 14.04 17.98 111.91 -131.85 -80.76 146.11 79.90 0.37 19.74 75.91 0.56 3.01 19.68 0.54 0.00 0.11 0.20 2 L H H 92.92 7.34 10.63 19.24 93.82 -119.77 -62.75 -35.34 14.71 0.06 85.23 5.90 1.98 6.40 84.11 1.56 0.00 0.02 0.03 3 I H H 101.11 3.19 13.34 17.46 92.27 54.21 -65.28 -39.34 6.41 0.03 93.56 1.69 0.81 3.57 92.11 1.79 0.00 0.01 0.01 4 K H H 112.54 2.59 15.28 18.22 92.22 51.09 -65.63 -40.15 2.54 0.01 97.44 0.77 0.30 1.35 95.70 1.86 0.00 0.01 0.00 5 Y H H 86.69 8.24 14.35 23.82 92.22 50.31 -64.91 -41.41 1.36 0.00 98.63 0.33 0.13 0.77 97.96 0.81 0.00 0.00 0.00 6 F H H 77.76 9.65 15.31 25.88 92.27 49.73 -65.43 -40.44 1.21 0.00 98.78 0.21 0.09 0.77 98.51 0.41 0.00 0.00 0.00 7 T H H 71.19 3.04 18.81 21.69 92.17 49.80 -64.73 -41.89 0.97 0.00 99.03 0.12 0.06 0.65 98.93 0.24 0.00 0.00 0.00 8 F H H 101.48 4.13 19.83 23.91 91.89 49.29 -64.35 -42.10 0.49 0.00 99.51 0.06 0.03 0.31 99.43 0.17 0.00 0.00 0.00 9 S H H 20.94 14.08 15.69 30.70 91.76 50.89 -64.11 -41.30 0.60 0.00 99.40 0.05 0.02 0.43 99.34 0.15 0.00 0.00 0.00 10 M H H 78.93 8.07 18.95 27.65 91.79 51.01 -64.38 -40.78 0.44 0.00 99.56 0.03 0.02 0.32 99.52 0.12 0.00 0.00 0.00 11 I H H 94.88 2.59 21.79 23.16 91.77 49.83 -64.32 -42.34 0.17 0.00 99.83 0.01 0.01 0.11 99.80 0.07 0.00 0.00 0.00 12 I H H 56.66 10.18 19.01 29.82 91.76 49.31 -64.63 -42.08 0.13 0.00 99.87 0.01 0.00 0.09 99.83 0.07 0.00 0.00 0.00 13 F H H 47.77 16.30 17.32 33.35 91.52 49.95 -64.20 -41.50 0.18 0.00 99.82 0.01 0.01 0.13 99.78 0.07 0.00 0.00 0.00 14 I H H 87.82 4.24 22.46 26.50 91.91 49.61 -64.53 -41.63 0.24 0.00 99.76 0.01 0.01 0.18 99.73 0.07 0.00 0.00 0.00 15 L H H 81.58 3.96 22.90 26.35 91.68 49.43 -64.70 -41.65 0.23 0.00 99.77 0.01 0.01 0.17 99.71 0.10 0.00 0.00 0.00 16 G H H 8.07 17.48 16.17 34.27 91.62 51.12 -63.93 -42.23 0.38 0.00 99.62 0.02 0.01 0.31 99.49 0.17 0.00 0.00 0.00 17 I H H 63.59 10.34 20.30 30.99 91.66 49.88 -64.12 -41.87 0.51 0.00 99.49 0.02 0.02 0.44 99.26 0.25 0.00 0.00 0.00 18 W H H 143.25 2.23 23.63 24.15 91.78 49.28 -64.36 -41.55 0.78 0.00 99.22 0.04 0.04 0.66 98.76 0.49 0.00 0.00 0.00 19 G H H 14.64 10.09 16.98 28.91 91.72 50.82 -64.23 -41.19 2.17 0.00 97.82 0.12 0.12 1.88 96.82 1.05 0.01 0.00 0.00 20 I H H 33.50 16.28 14.17 30.54 92.05 50.61 -65.30 -39.68 4.09 0.01 95.90 0.15 0.26 3.77 94.22 1.58 0.02 0.00 0.00 21 L H H 100.08 3.97 18.00 22.48 92.72 48.71 -69.88 -34.65 10.37 0.02 89.61 0.45 0.84 9.14 87.47 2.04 0.04 0.01 0.02 22 L H H 112.71 1.92 17.42 18.71 94.94 45.85 -79.80 -22.24 33.90 0.16 65.94 2.31 4.38 27.10 63.48 2.47 0.09 0.05 0.13 23 N C T 57.33 11.17 11.45 23.32 105.86 56.61 -101.46 62.63 72.37 0.86 26.77 29.06 9.04 34.19 23.74 3.04 0.01 0.32 0.61 24 R C T 134.53 7.24 12.88 21.47 97.95 145.43 -71.46 -12.81 93.65 0.83 5.51 39.32 12.18 42.63 3.19 1.80 0.00 0.37 0.49 25 R C S 169.64 2.59 16.16 19.20 97.40 57.20 -83.87 -11.05 95.63 0.61 3.76 18.59 39.57 37.97 1.50 1.76 0.00 0.29 0.32 26 N C C 67.06 6.31 14.80 22.81 115.04 70.95 -112.47 116.84 96.08 2.10 1.82 81.24 13.14 1.12 1.50 0.39 0.00 0.55 2.07 27 I H H 76.43 11.89 13.17 25.89 93.40 -156.83 -62.64 -36.69 2.78 0.01 97.21 0.51 0.47 1.54 97.15 0.31 0.00 0.00 0.00 28 L H H 101.72 3.51 18.20 22.01 91.75 54.02 -64.01 -40.53 0.95 0.00 99.05 0.09 0.06 0.64 98.90 0.29 0.00 0.00 0.00 29 I H H 69.99 5.58 18.91 25.49 91.83 48.30 -66.11 -40.30 0.22 0.00 99.78 0.02 0.01 0.14 99.58 0.25 0.00 0.00 0.00 30 M H H 25.30 17.49 15.44 33.05 91.52 51.46 -63.22 -42.75 0.12 0.00 99.88 0.02 0.01 0.07 99.82 0.09 0.00 0.00 0.00 31 L H H 55.04 12.61 19.57 32.30 91.72 50.67 -63.62 -41.55 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 32 M H H 97.09 3.29 23.72 26.26 91.60 49.92 -64.39 -41.34 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 33 S H H 23.04 11.35 20.00 32.56 91.64 50.58 -64.43 -42.08 0.26 0.00 99.74 0.03 0.01 0.16 99.78 0.03 0.00 0.00 0.00 34 I H H 21.60 19.27 19.14 38.00 91.45 49.93 -64.07 -42.00 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 35 E H H 73.52 10.46 21.71 32.24 91.51 51.74 -63.21 -41.58 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 84.19 4.05 24.29 28.02 91.64 49.44 -64.73 -41.85 0.07 0.00 99.93 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 37 M H H 42.68 14.41 20.71 35.03 91.95 49.96 -64.61 -42.00 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 38 L H H 30.52 18.42 19.30 37.06 91.58 50.38 -63.59 -41.64 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 39 L H H 83.85 5.60 23.84 29.57 91.85 49.85 -64.45 -40.60 0.18 0.00 99.82 0.01 0.00 0.13 99.80 0.05 0.00 0.00 0.00 40 A H H 42.43 6.23 22.93 29.69 91.65 50.69 -64.86 -41.67 0.42 0.00 99.58 0.03 0.01 0.29 99.57 0.10 0.00 0.00 0.00 41 V H H 22.84 17.54 19.93 37.20 92.23 49.54 -64.56 -41.95 0.73 0.00 99.27 0.06 0.04 0.52 99.25 0.14 0.00 0.00 0.00 42 N H H 44.59 14.76 20.70 35.05 91.66 51.85 -63.63 -41.38 1.06 0.00 98.94 0.14 0.06 0.72 98.84 0.25 0.00 0.00 0.00 43 S H H 56.12 4.02 24.22 27.95 91.78 50.89 -64.31 -41.49 1.06 0.00 98.94 0.09 0.05 0.81 98.65 0.39 0.00 0.00 0.00 44 N H H 55.97 9.54 22.07 31.87 92.12 49.85 -65.03 -40.82 1.35 0.00 98.65 0.10 0.07 1.08 98.18 0.57 0.00 0.00 0.00 45 F H H 36.24 18.26 18.40 36.14 91.88 50.24 -64.36 -41.78 1.06 0.00 98.94 0.06 0.05 0.88 98.32 0.69 0.00 0.00 0.00 46 L H H 70.53 9.46 20.87 30.64 92.03 50.72 -63.77 -41.42 1.61 0.00 98.38 0.10 0.09 1.34 97.50 0.97 0.00 0.00 0.00 47 V H H 76.15 3.41 22.52 25.23 91.92 49.37 -64.54 -42.15 3.31 0.00 96.68 0.18 0.21 2.78 95.55 1.26 0.00 0.00 0.00 48 F H H 58.16 10.45 18.30 29.74 92.43 49.08 -65.78 -40.43 5.20 0.01 94.79 0.47 0.52 3.94 92.43 2.62 0.01 0.01 0.01 49 S H H 19.22 14.19 13.28 28.48 91.80 52.24 -64.62 -39.56 9.38 0.03 90.59 1.27 0.89 6.73 84.83 6.23 0.01 0.02 0.02 50 V H H 93.28 3.48 16.57 20.81 92.99 50.88 -67.40 -37.54 16.25 0.05 83.70 1.36 1.42 12.93 77.20 7.00 0.03 0.02 0.03 51 S H H 78.41 2.06 15.71 17.86 94.59 48.40 -74.03 -31.12 26.79 0.10 73.11 2.63 3.34 20.78 68.07 5.02 0.06 0.04 0.07 52 L C T 77.79 6.99 11.44 19.99 98.31 43.71 -94.62 -3.35 67.04 0.42 32.53 15.59 17.63 33.92 29.25 3.11 0.02 0.13 0.35 53 D C C 124.01 1.62 15.25 17.51 95.00 -128.35 53.47 39.76 97.20 0.18 2.62 47.46 12.58 37.51 1.42 0.84 0.00 0.08 0.12 54 D C C 60.08 8.14 12.01 21.76 119.64 135.88 -115.69 134.63 93.96 0.49 5.55 73.87 14.83 4.98 4.47 1.21 0.00 0.14 0.49 55 M H H 118.01 4.90 15.92 21.68 93.89 -143.65 -64.85 -31.19 21.36 0.12 78.52 6.01 5.70 10.15 76.22 1.78 0.02 0.04 0.08 56 M H H 99.88 4.83 18.21 23.67 92.18 55.67 -64.88 -39.71 8.46 0.03 91.51 1.38 1.13 5.67 90.48 1.29 0.01 0.01 0.01 57 G H H 10.74 13.93 14.44 29.63 91.86 51.82 -64.43 -39.82 3.84 0.01 96.15 1.04 0.42 2.12 95.10 1.31 0.00 0.00 0.00 58 Q H H 72.47 9.58 18.54 28.77 92.10 52.56 -64.55 -40.42 1.04 0.00 98.96 0.26 0.09 0.54 98.49 0.61 0.00 0.00 0.00 59 V H H 69.43 5.56 21.76 26.81 91.93 51.19 -64.46 -42.31 0.53 0.00 99.47 0.09 0.04 0.32 99.27 0.28 0.00 0.00 0.00 60 F H H 77.97 9.64 20.73 30.83 91.76 49.57 -64.35 -41.54 0.32 0.00 99.68 0.04 0.01 0.21 99.57 0.17 0.00 0.00 0.00 61 A H H 19.84 15.40 17.34 33.21 91.75 51.55 -63.57 -41.49 0.23 0.00 99.77 0.02 0.01 0.16 99.68 0.13 0.00 0.00 0.00 62 L H H 78.87 6.84 22.45 29.39 91.82 50.51 -64.31 -41.21 0.32 0.00 99.68 0.02 0.01 0.25 99.60 0.12 0.00 0.00 0.00 63 L H H 74.50 7.44 22.38 29.72 91.82 50.19 -64.44 -42.19 0.36 0.00 99.64 0.02 0.01 0.26 99.61 0.09 0.00 0.00 0.00 64 V H H 37.89 14.61 19.56 34.14 91.84 49.62 -64.68 -42.38 0.30 0.00 99.69 0.03 0.01 0.19 99.70 0.06 0.00 0.00 0.00 65 L H H 64.65 11.11 21.45 32.54 91.80 49.85 -63.63 -41.41 0.31 0.00 99.69 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 66 T H H 62.10 6.20 23.59 29.44 91.84 49.24 -64.68 -42.30 0.35 0.00 99.65 0.05 0.02 0.21 99.66 0.05 0.00 0.00 0.00 67 V H H 50.15 10.85 22.48 33.52 92.17 48.98 -65.01 -42.29 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 68 A H H 25.07 13.74 20.17 34.25 91.68 50.72 -63.10 -42.05 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 48.68 6.25 23.94 30.13 91.65 50.05 -63.87 -41.80 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 70 A H H 40.86 7.54 22.91 30.73 91.60 49.96 -63.95 -42.55 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 71 E H H 56.44 13.47 20.97 34.23 91.92 50.40 -63.94 -41.72 0.21 0.00 99.79 0.02 0.01 0.15 99.77 0.06 0.00 0.00 0.00 72 S H H 44.54 9.40 21.80 31.42 91.69 50.24 -63.78 -41.11 0.49 0.00 99.51 0.04 0.02 0.37 99.48 0.10 0.00 0.00 0.00 73 A H H 52.70 5.30 22.96 27.73 91.85 50.05 -64.87 -41.59 0.78 0.00 99.22 0.05 0.03 0.62 99.21 0.10 0.00 0.00 0.00 74 I H H 66.07 9.23 21.75 31.16 92.03 49.61 -64.53 -41.79 0.38 0.00 99.62 0.03 0.02 0.25 99.62 0.07 0.00 0.00 0.00 75 G H H 18.62 12.16 18.65 31.35 91.54 51.97 -63.02 -42.47 0.33 0.00 99.67 0.03 0.01 0.20 99.68 0.07 0.00 0.00 0.00 76 L H H 83.18 5.25 22.08 27.31 91.81 50.00 -64.29 -41.25 0.24 0.00 99.76 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 77 A H H 44.80 6.43 20.21 26.99 91.76 51.12 -64.21 -41.56 0.22 0.00 99.78 0.02 0.00 0.13 99.79 0.05 0.00 0.00 0.00 78 I H H 60.70 10.03 18.99 29.46 91.70 49.82 -64.45 -41.91 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 79 F H H 86.27 8.42 18.90 27.67 91.88 50.21 -64.22 -41.60 0.27 0.00 99.73 0.02 0.01 0.16 99.74 0.06 0.00 0.00 0.00 80 V H H 69.83 4.83 19.15 24.24 91.95 50.00 -64.40 -42.00 0.44 0.00 99.56 0.04 0.02 0.28 99.55 0.10 0.00 0.00 0.00 81 I H H 67.09 6.09 17.72 24.77 91.90 49.42 -64.41 -42.01 0.93 0.00 99.06 0.09 0.06 0.65 98.96 0.24 0.00 0.00 0.00 82 T H H 46.07 8.15 15.56 24.99 91.99 49.62 -64.44 -41.48 2.36 0.01 97.62 0.26 0.20 1.71 97.30 0.52 0.00 0.01 0.00 83 F H H 96.47 5.62 15.02 21.71 92.46 49.84 -65.69 -40.03 4.31 0.06 95.63 0.80 0.53 2.85 94.78 0.97 0.01 0.03 0.02 84 R H H 143.89 3.27 15.02 18.91 92.91 50.27 -67.84 -37.19 7.25 0.08 92.66 1.33 0.89 5.05 91.21 1.42 0.03 0.04 0.03 85 V H H 92.37 3.86 14.08 18.89 96.31 45.03 -78.03 -32.23 14.00 0.11 85.89 1.76 1.74 10.46 84.53 1.37 0.04 0.05 0.06 86 R H H 143.66 3.72 13.37 17.95 99.32 42.62 -88.74 -12.33 34.21 0.30 65.49 4.96 6.42 22.67 64.27 1.35 0.05 0.11 0.18 87 G C C 40.17 5.41 13.57 20.26 110.08 -113.21 70.58 15.40 85.74 0.74 13.52 41.31 12.41 31.58 11.80 2.20 0.00 0.33 0.37 88 T C C 75.06 6.16 13.91 21.22 105.45 14.21 -87.62 30.52 72.80 2.68 24.52 53.99 10.32 7.09 23.18 2.93 0.00 1.37 1.11 89 I C H 80.82 7.53 13.40 22.10 99.04 84.34 -76.88 -26.51 51.86 2.46 45.68 32.58 11.66 7.99 42.52 3.13 0.03 1.29 0.80 90 A H H 51.47 5.64 14.91 21.97 95.31 67.74 -66.73 -38.22 35.15 1.20 63.65 25.38 4.58 5.77 59.41 3.84 0.01 0.71 0.30 91 V H H 70.36 5.57 13.91 20.92 93.47 54.09 -65.45 -40.46 10.97 0.42 88.61 6.30 1.84 3.66 80.73 7.06 0.01 0.31 0.09 92 E H H 105.01 3.10 15.05 18.91 92.61 52.31 -65.57 -40.39 7.39 0.26 92.36 3.43 1.10 3.12 84.24 7.84 0.01 0.21 0.05 93 F H H 105.47 3.82 13.84 18.82 93.14 49.87 -66.71 -39.60 8.42 0.23 91.35 3.58 1.25 3.82 82.60 8.51 0.01 0.16 0.06 94 I H H 82.59 4.70 12.07 18.43 93.10 51.40 -66.16 -39.62 10.51 0.21 89.28 4.01 1.71 5.17 82.32 6.58 0.02 0.13 0.07 95 N H H 100.02 2.50 12.33 15.83 93.38 51.86 -67.75 -35.02 18.83 0.25 80.92 5.88 2.63 10.62 74.50 6.08 0.04 0.14 0.11 96 S H H 75.97 2.15 11.11 14.20 94.78 54.53 -71.13 -27.95 31.14 0.40 68.46 8.64 4.55 18.44 61.80 6.12 0.06 0.20 0.20 97 I H H 115.84 3.15 9.31 13.92 98.87 56.23 -79.99 -17.04 43.17 1.24 55.59 18.03 7.60 19.38 49.53 4.20 0.07 0.59 0.59 98 Q C C 134.12 2.13 9.16 12.72 102.79 68.54 -84.33 10.12 71.18 0.88 27.93 49.46 1.92 17.96 28.24 1.56 0.00 0.43 0.42 99 G C C 51.56 2.98 12.18 16.58 111.02 -101.93 84.43 2.22 99.97 0.02 0.01 99.88 0.05 0.05 0.00 0.00 0.00 0.01 0.00