# 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 92.81 5.64 11.69 18.89 112.85 -136.87 -84.06 124.95 99.93 0.02 0.05 99.85 0.07 0.03 0.05 0.00 0.00 0.00 0.00 1 P C H 85.70 2.77 11.15 15.15 99.63 -120.91 -65.07 -32.49 52.80 0.20 47.00 42.05 0.80 7.86 47.99 1.11 0.00 0.07 0.11 2 Y H H 161.51 1.74 9.93 12.56 94.27 55.50 -65.41 -35.80 15.07 0.07 84.85 4.88 1.97 7.97 83.67 1.43 0.01 0.03 0.04 3 F H H 139.44 1.15 11.17 12.25 92.85 52.44 -65.77 -38.61 3.96 0.03 96.01 1.15 0.53 2.17 94.81 1.32 0.00 0.01 0.01 4 V H H 84.84 1.90 11.60 14.11 92.61 50.41 -65.80 -40.44 1.29 0.01 98.70 0.39 0.16 0.68 97.94 0.83 0.00 0.01 0.00 5 L H H 85.39 2.98 11.63 15.93 92.43 50.89 -64.93 -40.61 0.70 0.00 99.30 0.16 0.07 0.41 98.99 0.37 0.00 0.00 0.00 6 L H H 98.31 1.79 13.23 15.24 91.68 50.65 -64.15 -41.08 0.38 0.00 99.62 0.06 0.02 0.24 99.55 0.12 0.00 0.00 0.00 7 F H H 124.60 1.35 14.28 14.92 92.04 49.27 -65.01 -40.83 0.19 0.00 99.81 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 8 K H H 109.71 2.49 13.83 16.80 92.19 50.01 -65.52 -40.47 0.18 0.00 99.82 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 9 I H H 87.26 3.01 13.51 17.54 92.18 49.68 -65.48 -41.14 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 10 L H H 94.68 1.89 14.47 16.36 91.73 50.68 -64.34 -41.01 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 11 I H H 100.07 1.61 15.07 16.06 92.01 49.74 -64.83 -41.80 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 12 F H H 115.85 2.42 14.48 17.19 92.09 49.41 -65.28 -40.96 0.11 0.00 99.89 0.00 0.00 0.08 99.85 0.05 0.00 0.00 0.00 13 C H H 66.24 3.13 13.72 17.94 92.13 50.64 -64.93 -41.29 0.22 0.00 99.78 0.01 0.01 0.18 99.71 0.09 0.00 0.00 0.00 14 V H H 88.25 1.79 15.16 16.64 91.99 50.21 -64.60 -41.28 0.30 0.00 99.70 0.02 0.01 0.26 99.55 0.16 0.00 0.00 0.00 15 V H H 84.78 1.97 15.33 17.04 92.06 49.79 -65.04 -41.54 0.54 0.01 99.46 0.03 0.03 0.47 99.19 0.27 0.00 0.00 0.00 16 A H H 53.57 3.72 13.79 18.62 92.16 50.58 -64.47 -41.11 1.19 0.03 98.78 0.08 0.07 1.03 98.33 0.46 0.01 0.02 0.00 17 I H H 92.19 2.75 14.34 17.83 92.38 49.69 -65.38 -41.02 2.92 0.10 96.98 0.21 0.28 2.49 96.21 0.70 0.04 0.06 0.02 18 A H H 66.22 1.78 14.65 16.21 92.26 50.67 -65.34 -40.42 4.59 0.09 95.32 0.45 0.51 3.61 93.89 1.40 0.06 0.05 0.03 19 T H H 75.28 3.04 13.46 17.21 93.42 49.54 -67.90 -38.90 8.55 0.09 91.37 0.88 0.97 6.61 88.96 2.40 0.08 0.04 0.05 20 R H H 136.90 3.83 12.63 17.60 93.53 51.76 -69.24 -31.77 13.86 0.07 86.07 1.25 1.40 11.14 82.50 3.56 0.07 0.03 0.05 21 G H H 48.90 2.45 12.49 15.71 94.55 54.19 -75.46 -21.51 37.32 0.11 62.57 2.71 3.34 30.71 59.20 3.85 0.06 0.04 0.10 22 T C H 94.29 2.20 12.33 15.10 98.96 50.20 -89.49 -11.80 50.82 0.30 48.89 5.75 8.24 36.59 45.51 3.47 0.08 0.10 0.25 23 L C S 89.06 5.35 9.52 16.66 112.76 84.52 -92.60 120.99 71.86 0.71 27.43 27.19 36.17 9.11 23.04 3.74 0.01 0.20 0.55 24 P C C 85.75 3.63 11.22 16.45 108.77 -129.22 -69.36 139.02 61.08 0.53 38.38 39.70 7.57 13.75 27.74 10.66 0.01 0.25 0.32 25 R H H 159.25 2.84 11.22 15.56 103.15 -123.77 -80.53 6.41 46.87 1.18 51.95 23.19 8.94 15.20 36.54 14.91 0.05 0.58 0.60 26 Y H H 130.26 4.79 10.56 16.85 106.86 65.45 -87.11 84.68 46.84 1.36 51.80 25.76 9.37 12.35 38.96 12.20 0.05 0.66 0.65 27 R H H 130.18 3.49 12.40 17.12 101.10 69.22 -72.39 -31.26 42.85 0.80 56.35 30.36 5.77 7.70 50.12 5.28 0.01 0.36 0.39 28 F H H 128.57 2.55 12.69 16.13 93.65 50.49 -64.22 -40.09 5.47 0.03 94.49 1.77 1.03 2.71 92.88 1.56 0.01 0.01 0.02 29 D H H 84.91 2.55 13.49 16.78 92.69 50.59 -65.82 -39.13 3.26 0.02 96.72 0.87 0.41 1.87 95.43 1.40 0.01 0.01 0.01 30 Q H H 92.95 3.13 13.71 17.82 92.50 50.44 -66.11 -39.62 2.21 0.02 97.77 0.57 0.27 1.29 96.44 1.39 0.01 0.01 0.01 31 F H H 104.29 3.07 14.12 18.11 92.19 50.29 -64.68 -41.20 1.66 0.02 98.32 0.42 0.21 0.95 97.46 0.93 0.01 0.01 0.00 32 T H H 67.98 2.89 14.57 18.28 92.16 50.10 -64.49 -41.43 2.14 0.02 97.83 0.47 0.24 1.35 96.90 0.99 0.02 0.01 0.01 33 Q H H 93.78 2.67 14.65 17.93 92.03 50.30 -64.41 -41.21 2.99 0.02 96.99 0.43 0.30 2.18 95.88 1.16 0.03 0.01 0.01 34 L H H 84.77 2.63 14.63 17.81 92.32 49.56 -64.83 -41.17 5.56 0.03 94.40 0.48 0.54 4.54 92.70 1.66 0.06 0.01 0.02 35 N H H 82.03 2.63 14.01 17.35 92.39 49.57 -65.34 -40.23 12.10 0.04 87.86 0.80 1.07 10.37 85.56 2.10 0.06 0.01 0.03 36 W H H 144.97 2.55 13.65 16.78 93.94 46.52 -69.94 -38.91 17.27 0.09 82.64 0.99 1.64 15.01 78.74 3.28 0.23 0.03 0.08 37 K H H 124.57 1.98 14.41 16.39 95.29 43.22 -73.22 -38.90 24.25 0.07 75.68 0.61 1.54 22.39 71.26 3.79 0.31 0.02 0.07 38 H C T 113.46 2.16 14.53 16.67 98.89 37.93 -82.37 -39.48 53.93 0.08 45.99 0.64 2.27 50.56 43.14 3.19 0.09 0.03 0.08 39 F H H 102.06 3.85 13.24 18.29 95.93 43.83 -74.84 -37.90 19.91 0.03 80.06 0.69 1.13 18.07 78.14 1.89 0.04 0.01 0.02 40 I H H 84.75 3.40 13.63 18.20 92.24 53.08 -63.97 -42.18 1.63 0.00 98.37 0.23 0.14 1.06 97.71 0.86 0.00 0.00 0.00 41 Y H H 133.76 1.76 15.34 16.74 91.97 49.75 -64.84 -41.01 0.80 0.00 99.20 0.14 0.05 0.50 98.60 0.70 0.00 0.00 0.00 42 I H H 92.97 2.51 15.04 17.81 92.36 49.14 -65.63 -41.38 0.36 0.00 99.64 0.06 0.03 0.23 99.23 0.46 0.00 0.00 0.00 43 W H H 125.65 4.00 14.17 19.37 92.27 50.54 -64.64 -40.95 0.36 0.00 99.63 0.05 0.02 0.23 99.49 0.21 0.00 0.00 0.00 44 L H H 93.15 2.21 15.52 17.78 92.05 50.35 -64.52 -41.18 0.30 0.00 99.70 0.03 0.01 0.20 99.66 0.11 0.00 0.00 0.00 45 G H H 38.00 2.04 15.39 17.33 91.83 50.53 -64.05 -41.29 0.43 0.00 99.57 0.04 0.01 0.30 99.55 0.10 0.00 0.00 0.00 46 F H H 106.75 3.30 14.52 18.58 92.29 49.94 -65.29 -40.78 0.41 0.00 99.59 0.03 0.01 0.28 99.58 0.09 0.00 0.00 0.00 47 L H H 86.04 3.40 14.20 18.55 92.02 50.73 -64.52 -41.11 0.33 0.00 99.67 0.03 0.01 0.21 99.64 0.10 0.00 0.00 0.00 48 V H H 89.97 1.52 15.42 16.24 91.97 49.70 -64.43 -41.49 0.43 0.00 99.57 0.04 0.02 0.29 99.48 0.17 0.00 0.00 0.00 49 F H H 120.00 1.88 15.10 16.72 92.28 49.55 -65.24 -40.85 0.84 0.00 99.15 0.10 0.05 0.58 98.96 0.31 0.00 0.00 0.00 50 N H H 75.12 3.99 13.35 18.57 92.46 49.52 -65.82 -39.78 2.04 0.01 97.96 0.26 0.15 1.46 97.53 0.59 0.00 0.00 0.00 51 L H H 91.18 2.35 13.89 16.76 92.12 51.28 -64.53 -40.32 3.87 0.02 96.11 0.50 0.31 2.83 94.83 1.51 0.01 0.01 0.01 52 C H H 76.31 1.46 14.07 15.03 91.87 51.16 -64.77 -39.95 7.04 0.05 92.90 0.93 0.55 5.17 90.26 3.04 0.01 0.03 0.02 53 F H H 116.03 2.28 12.80 15.53 92.67 50.26 -66.14 -39.41 7.38 0.20 92.42 2.08 0.95 4.27 86.87 5.61 0.01 0.14 0.06 54 V H H 79.99 3.42 10.78 15.66 93.15 50.76 -67.16 -37.33 8.25 0.26 91.49 3.16 1.09 3.94 82.94 8.58 0.01 0.19 0.09 55 T H H 93.41 1.60 10.78 12.99 93.45 53.23 -68.93 -34.67 12.66 0.19 87.15 3.45 1.36 7.36 75.27 12.36 0.02 0.11 0.08 56 F H H 159.91 0.95 10.34 11.20 95.18 51.42 -74.47 -27.14 27.60 0.26 72.13 4.58 2.45 19.85 62.30 10.49 0.05 0.14 0.14 57 F C H 152.50 1.63 8.94 11.43 99.40 48.02 -86.41 -14.82 52.60 0.57 46.83 21.37 1.54 28.29 43.37 4.80 0.01 0.27 0.36 58 I C C 108.47 4.31 9.66 15.57 104.75 76.47 -84.72 57.67 99.93 0.05 0.01 99.89 0.04 0.03 0.01 0.00 0.00 0.02 0.00