# 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 Y C C 133.37 4.52 13.05 18.63 105.16 151.39 -86.36 34.56 99.35 0.06 0.58 99.17 0.10 0.09 0.59 0.01 0.00 0.02 0.02 1 T H H 84.41 2.77 11.94 15.59 97.75 75.86 -69.52 -36.31 23.03 0.18 76.79 16.99 0.92 4.95 75.92 1.08 0.00 0.07 0.08 2 V H H 83.99 5.00 10.62 16.77 94.07 53.73 -66.92 -38.99 9.45 0.07 90.48 3.19 1.33 4.89 89.13 1.39 0.01 0.03 0.03 3 V H H 91.70 2.38 12.66 15.80 92.88 50.24 -66.29 -39.78 4.08 0.05 95.87 1.40 0.55 2.12 94.31 1.56 0.00 0.04 0.01 4 G H H 41.34 1.63 14.07 15.42 92.25 50.02 -64.95 -41.19 2.54 0.03 97.44 0.93 0.33 1.27 96.39 1.06 0.00 0.02 0.01 5 V H H 69.72 4.30 13.49 18.97 92.33 49.93 -65.51 -41.25 2.18 0.02 97.80 0.57 0.21 1.27 97.52 0.42 0.00 0.01 0.00 6 F H H 92.33 6.92 13.28 21.37 92.29 50.84 -64.87 -41.03 0.95 0.00 99.05 0.23 0.08 0.51 99.02 0.16 0.00 0.00 0.00 7 I H H 102.39 1.87 16.61 17.91 92.17 49.69 -64.81 -41.67 0.41 0.00 99.59 0.08 0.03 0.21 99.60 0.08 0.00 0.00 0.00 8 V H H 87.07 1.86 17.35 18.31 92.30 48.79 -65.27 -42.14 0.24 0.00 99.76 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 9 V H H 52.07 8.17 14.40 23.84 92.26 48.80 -64.72 -41.90 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 10 S H H 51.20 5.97 15.70 22.86 91.77 50.95 -63.70 -41.49 0.19 0.00 99.81 0.02 0.01 0.12 99.79 0.06 0.00 0.00 0.00 11 A H H 65.49 1.46 18.67 18.34 91.90 49.67 -64.15 -41.72 0.26 0.00 99.74 0.01 0.01 0.19 99.69 0.09 0.00 0.00 0.00 12 M H H 92.57 3.29 17.56 21.04 92.06 48.98 -65.47 -41.23 0.58 0.00 99.42 0.03 0.02 0.47 99.28 0.20 0.00 0.00 0.00 13 S H H 29.72 10.45 13.16 25.11 91.94 51.28 -64.13 -40.96 3.19 0.00 96.80 0.12 0.10 2.92 96.17 0.69 0.00 0.00 0.00 14 V H H 81.49 3.12 16.97 20.44 92.03 50.42 -64.66 -40.66 6.44 0.01 93.56 0.22 0.24 6.00 92.02 1.50 0.01 0.00 0.00 15 L H H 98.26 1.49 17.45 17.57 91.98 50.88 -64.85 -41.00 4.89 0.01 95.09 0.33 0.35 3.87 90.95 4.48 0.01 0.01 0.01 16 F H H 89.50 5.97 14.03 21.52 92.42 50.82 -65.66 -39.50 3.47 0.01 96.52 0.25 0.20 2.61 85.38 11.54 0.00 0.01 0.00 17 W H H 108.42 9.15 12.16 22.45 92.35 52.54 -66.19 -36.51 3.69 0.01 96.30 0.21 0.18 2.94 81.63 15.03 0.00 0.01 0.00 18 I H H 125.87 1.57 14.87 16.27 92.95 52.76 -70.81 -28.80 10.83 0.02 89.15 0.55 0.64 9.02 78.20 11.55 0.02 0.01 0.01 19 M H H 136.64 1.40 13.78 14.90 96.28 51.55 -91.71 -5.79 30.89 0.20 68.91 3.03 4.67 23.75 62.00 6.18 0.13 0.07 0.17 20 A C S 38.24 11.42 7.25 19.31 116.27 109.36 -76.95 141.52 98.15 0.59 1.26 34.99 61.60 1.63 1.01 0.23 0.00 0.19 0.36 21 P C C 86.85 3.26 12.47 16.95 110.91 -106.37 -66.91 144.69 97.05 0.85 2.10 83.13 8.30 5.76 0.83 1.07 0.00 0.40 0.51 22 K C C 146.80 3.36 10.41 15.64 110.81 -132.74 -88.12 130.82 87.84 1.43 10.73 55.35 17.80 14.65 4.00 6.45 0.00 0.56 1.18 23 N C C 121.16 1.63 12.94 14.99 108.84 48.33 -87.39 131.08 87.79 0.50 11.71 41.44 23.61 23.26 4.73 6.36 0.00 0.19 0.41 24 N C C 96.41 4.32 11.93 17.55 103.18 13.67 -87.05 52.15 86.29 0.40 13.30 63.98 7.86 14.86 7.84 5.00 0.00 0.18 0.29 25 Q H H 89.33 7.52 10.96 19.93 95.40 141.90 -68.52 -30.52 32.66 0.32 67.02 24.44 4.30 3.91 65.39 1.69 0.00 0.10 0.16 26 A H H 65.44 3.11 14.77 18.63 92.45 60.75 -63.97 -40.15 6.73 0.04 93.23 3.00 1.04 2.51 92.39 1.02 0.00 0.02 0.01 27 V H H 84.02 2.97 15.96 19.17 92.47 50.16 -65.68 -41.01 2.75 0.03 97.22 1.11 0.35 1.19 96.47 0.86 0.00 0.02 0.01 28 W H H 97.41 8.54 14.64 24.37 92.35 49.41 -65.13 -41.56 1.14 0.01 98.85 0.44 0.14 0.48 98.42 0.51 0.00 0.01 0.00 29 R H H 101.18 7.47 16.68 25.08 92.12 50.76 -64.25 -41.22 0.89 0.00 99.10 0.29 0.09 0.41 98.97 0.25 0.00 0.00 0.00 30 S H H 56.04 3.27 18.90 22.06 91.84 50.36 -64.35 -41.43 0.75 0.00 99.24 0.21 0.07 0.37 99.22 0.14 0.00 0.00 0.00 31 T H H 56.94 5.79 18.23 24.62 92.06 50.39 -64.83 -41.58 0.51 0.00 99.49 0.11 0.04 0.27 99.50 0.08 0.00 0.00 0.00 32 V H H 47.29 11.06 16.81 28.64 92.16 50.41 -64.22 -41.79 0.28 0.00 99.72 0.05 0.02 0.15 99.73 0.05 0.00 0.00 0.00 33 I H H 84.95 5.17 19.88 25.04 91.91 49.36 -64.55 -41.89 0.17 0.00 99.83 0.02 0.01 0.09 99.84 0.03 0.00 0.00 0.00 34 L H H 91.21 2.81 20.67 22.77 91.79 49.72 -64.60 -41.79 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 35 T H H 43.36 9.70 17.16 27.52 92.05 50.37 -64.76 -41.77 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 36 L H H 62.09 8.98 17.92 27.83 91.64 50.55 -63.31 -41.86 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 37 A H H 55.37 3.67 19.97 22.83 91.51 50.65 -63.74 -41.74 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 38 M H H 86.52 4.50 18.99 23.73 91.94 49.91 -65.16 -41.25 0.22 0.00 99.78 0.01 0.01 0.16 99.79 0.03 0.00 0.00 0.00 39 M H H 57.57 10.51 16.14 27.19 91.95 51.21 -64.33 -41.54 0.23 0.00 99.77 0.01 0.01 0.17 99.77 0.04 0.00 0.00 0.00 40 F H H 100.11 5.93 18.04 24.39 91.90 50.93 -64.02 -41.21 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 41 L H H 92.04 2.95 18.88 21.42 92.08 50.34 -64.88 -41.08 0.09 0.00 99.91 0.00 0.00 0.06 99.89 0.03 0.00 0.00 0.00 42 M H H 80.51 6.39 17.07 23.94 91.93 51.00 -64.72 -41.60 0.18 0.00 99.82 0.01 0.00 0.14 99.79 0.06 0.00 0.00 0.00 43 W H H 107.39 7.46 16.48 24.83 91.88 50.50 -64.48 -40.81 0.28 0.00 99.72 0.01 0.01 0.22 99.67 0.09 0.00 0.00 0.00 44 A H H 51.62 4.63 17.24 22.19 91.76 51.33 -63.76 -41.39 0.32 0.00 99.68 0.02 0.01 0.24 99.59 0.14 0.00 0.00 0.00 45 I H H 91.93 2.73 17.98 20.58 92.25 49.48 -64.63 -41.77 0.59 0.00 99.41 0.03 0.02 0.48 99.19 0.27 0.00 0.00 0.00 46 T H H 50.77 6.96 15.18 23.12 92.14 49.81 -64.57 -41.75 1.14 0.00 98.86 0.08 0.06 0.92 98.43 0.52 0.00 0.00 0.00 47 F H H 94.80 5.17 15.50 21.70 92.13 49.89 -64.91 -41.46 1.72 0.00 98.28 0.11 0.09 1.38 97.31 1.11 0.00 0.00 0.00 48 L H H 92.88 2.73 15.39 18.33 92.30 49.72 -64.77 -39.64 2.03 0.00 97.97 0.16 0.12 1.57 96.04 2.11 0.00 0.00 0.00 49 C H H 68.38 3.83 12.67 17.89 92.51 53.23 -66.28 -34.69 5.78 0.01 94.22 0.32 0.28 4.85 89.32 5.22 0.00 0.00 0.00 50 Q H H 115.29 3.38 12.70 17.12 93.90 52.11 -72.61 -25.33 18.58 0.02 81.40 0.66 0.81 16.92 76.64 4.93 0.02 0.01 0.01 51 L H H 112.55 2.63 11.93 15.25 97.13 49.43 -82.35 -18.47 26.75 0.10 73.15 2.22 3.58 21.10 69.14 3.76 0.07 0.03 0.09 52 H C C 116.67 3.92 8.97 14.76 112.92 80.74 -95.46 115.40 72.84 0.85 26.31 42.80 21.59 9.20 18.02 7.42 0.01 0.29 0.69 53 P C C 97.09 2.66 9.10 13.46 106.73 -127.89 -71.69 118.87 62.47 0.73 36.80 27.73 8.17 26.90 15.85 20.53 0.00 0.39 0.43 54 L C T 132.51 1.72 8.30 11.38 102.41 -125.59 -80.63 -6.80 58.02 3.05 38.94 21.16 9.72 28.07 17.20 20.73 0.08 1.75 1.29 55 V C C 112.80 2.26 7.34 11.32 109.85 61.24 -95.84 104.00 67.78 5.24 26.98 50.26 3.57 15.07 15.06 10.38 0.01 3.31 2.34 56 A C C 80.21 3.21 10.29 15.33 113.34 -155.16 -92.54 129.95 99.89 0.08 0.03 99.82 0.06 0.05 0.01 0.00 0.00 0.04 0.01