# 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 127.45 3.36 10.53 15.56 116.17 -157.18 -93.38 138.45 99.98 0.02 0.00 99.93 0.04 0.02 0.00 0.00 0.00 0.01 0.00 1 A C C 90.69 1.58 8.80 11.84 111.73 -114.75 -76.81 135.67 97.71 1.15 1.14 94.18 1.02 2.91 0.52 0.31 0.00 0.52 0.54 2 V C C 109.07 2.93 6.82 11.70 114.79 -144.80 -94.87 131.66 93.94 3.75 2.31 74.30 16.44 2.74 1.49 0.78 0.00 1.35 2.89 3 G C C 48.59 2.20 9.62 13.09 117.31 -113.15 -77.96 161.87 94.46 1.09 4.45 81.57 10.12 2.81 3.45 1.02 0.00 0.52 0.52 4 P C C 104.47 2.14 9.83 13.33 109.96 -85.89 -70.79 141.24 82.83 1.40 15.78 59.10 12.96 10.53 12.45 3.58 0.00 0.67 0.72 5 V C C 101.84 3.62 8.05 13.41 107.66 -126.64 -85.48 98.35 75.09 2.52 22.39 54.71 10.81 8.94 19.27 3.81 0.01 1.12 1.33 6 T C C 93.96 2.27 10.22 13.67 105.18 103.20 -88.16 9.56 65.66 1.77 32.57 39.29 12.23 13.35 30.13 3.39 0.01 0.82 0.77 7 G C H 44.04 2.77 11.46 15.27 100.12 34.49 -9.45 -19.01 61.39 0.87 37.75 36.01 10.62 13.53 36.32 2.73 0.01 0.35 0.42 8 M H H 111.33 2.25 11.03 14.21 94.28 63.71 -67.65 -38.75 23.56 0.51 75.93 15.50 4.15 4.96 72.93 2.01 0.01 0.23 0.21 9 F H H 128.15 2.11 11.67 14.50 93.22 51.67 -65.98 -39.76 10.36 0.36 89.28 5.96 1.82 3.35 86.92 1.62 0.01 0.19 0.14 10 K H H 128.02 1.68 12.81 14.72 92.54 51.07 -65.65 -39.89 6.62 0.25 93.13 4.12 0.89 1.92 91.64 1.20 0.00 0.15 0.08 11 R H H 139.64 1.76 13.43 15.36 92.57 50.75 -65.81 -39.89 3.52 0.10 96.38 1.92 0.45 1.20 95.72 0.63 0.00 0.05 0.03 12 R H H 133.06 2.37 13.46 16.42 92.34 50.98 -65.88 -40.14 2.19 0.04 97.76 0.98 0.26 0.93 97.37 0.41 0.00 0.02 0.02 13 I H H 94.41 2.47 13.81 16.88 92.54 50.42 -64.75 -41.80 1.48 0.03 98.50 0.63 0.17 0.63 98.27 0.28 0.00 0.01 0.01 14 V H H 89.58 1.67 15.25 16.37 92.14 49.36 -64.80 -41.72 0.99 0.01 99.00 0.39 0.10 0.43 98.90 0.18 0.00 0.00 0.00 15 T H H 75.53 2.04 15.28 17.21 92.40 48.66 -65.22 -41.36 1.01 0.00 98.99 0.27 0.09 0.53 98.96 0.14 0.00 0.00 0.00 16 D H H 74.18 3.23 14.03 18.31 92.26 50.23 -64.96 -40.86 1.07 0.00 98.93 0.23 0.08 0.61 98.94 0.14 0.00 0.00 0.00 17 F H H 117.24 2.42 15.35 17.95 92.14 49.74 -64.87 -41.08 0.58 0.00 99.42 0.09 0.04 0.34 99.42 0.10 0.00 0.00 0.00 18 S H H 62.16 1.88 16.12 17.46 92.17 50.60 -64.55 -41.73 0.45 0.00 99.55 0.06 0.03 0.27 99.54 0.10 0.00 0.00 0.00 19 V H H 82.63 2.15 15.95 17.96 92.27 48.87 -65.20 -41.59 0.34 0.00 99.66 0.03 0.02 0.22 99.63 0.10 0.00 0.00 0.00 20 T H H 69.01 3.06 14.74 18.64 92.08 50.84 -64.51 -41.45 0.36 0.00 99.64 0.04 0.02 0.23 99.61 0.11 0.00 0.00 0.00 21 M H H 106.75 2.18 15.86 17.98 92.06 49.83 -64.69 -41.30 0.45 0.00 99.55 0.04 0.02 0.31 99.49 0.15 0.00 0.00 0.00 22 I H H 101.82 1.64 16.57 17.36 92.32 48.99 -64.76 -41.73 0.60 0.00 99.40 0.05 0.03 0.43 99.33 0.16 0.00 0.00 0.00 23 L H H 97.08 1.88 16.38 17.76 92.22 48.56 -64.97 -40.98 0.87 0.00 99.13 0.06 0.05 0.64 99.02 0.23 0.00 0.00 0.00 24 G H H 34.91 3.33 14.83 19.09 92.13 50.70 -64.31 -41.50 1.75 0.00 98.24 0.15 0.10 1.32 98.14 0.30 0.00 0.00 0.00 25 T H H 76.31 2.38 16.07 18.51 92.30 49.56 -64.91 -41.64 2.07 0.00 97.92 0.18 0.15 1.56 97.79 0.33 0.00 0.00 0.00 26 L H H 95.71 1.77 16.74 17.79 92.22 50.08 -64.45 -41.53 2.17 0.00 97.83 0.25 0.17 1.52 97.69 0.37 0.00 0.00 0.00 27 G H H 37.34 2.27 16.01 18.16 91.91 50.30 -64.21 -41.55 2.75 0.00 97.25 0.32 0.20 1.94 97.12 0.41 0.00 0.00 0.00 28 A H H 53.36 3.09 14.56 18.60 91.92 50.75 -64.27 -40.91 1.81 0.00 98.19 0.22 0.13 1.19 98.16 0.29 0.00 0.00 0.00 29 C H H 69.56 2.66 14.62 17.97 91.95 50.67 -64.89 -40.59 1.06 0.00 98.94 0.14 0.07 0.67 98.88 0.24 0.00 0.00 0.00 30 Y H H 138.88 1.41 15.24 15.84 91.89 50.35 -65.14 -41.23 0.52 0.00 99.47 0.05 0.03 0.35 99.36 0.20 0.00 0.00 0.00 31 W H H 151.58 1.68 14.41 15.72 92.24 48.95 -65.31 -41.13 0.54 0.00 99.46 0.04 0.03 0.40 99.30 0.23 0.00 0.00 0.00 32 W H H 133.73 3.19 12.97 17.26 92.79 47.84 -66.80 -40.20 1.01 0.00 98.99 0.05 0.05 0.85 98.73 0.30 0.00 0.00 0.00 33 F H H 126.56 2.25 13.17 16.02 93.22 47.25 -68.52 -39.35 2.75 0.00 97.24 0.07 0.12 2.69 96.59 0.51 0.01 0.00 0.00 34 G H H 47.61 1.37 14.28 14.96 95.41 43.58 -72.57 -38.48 11.89 0.01 88.10 0.15 0.43 12.16 86.38 0.84 0.03 0.00 0.01 35 Y C T 148.91 1.60 14.18 15.40 100.23 33.62 -87.94 -35.99 58.21 0.04 41.74 0.41 2.13 54.83 41.35 1.16 0.05 0.01 0.05 36 H H H 92.65 4.96 12.07 18.71 99.10 37.35 -91.59 -25.71 29.66 0.06 70.27 1.35 2.29 25.65 69.19 1.38 0.05 0.02 0.06 37 K H H 103.67 3.74 13.49 18.69 92.61 66.25 -61.40 -43.51 2.36 0.00 97.64 0.51 0.29 1.23 97.32 0.65 0.00 0.00 0.00 38 P H H 76.21 1.78 16.12 17.32 91.71 49.90 -63.81 -39.96 1.54 0.00 98.46 0.41 0.12 0.87 97.87 0.72 0.00 0.00 0.00 39 A H H 54.31 2.78 15.15 18.59 92.29 50.33 -65.13 -40.26 0.58 0.00 99.42 0.16 0.05 0.30 98.96 0.52 0.00 0.00 0.00 40 A H H 48.05 3.82 14.13 19.44 92.06 51.34 -63.99 -41.32 0.38 0.00 99.62 0.09 0.03 0.19 99.57 0.12 0.00 0.00 0.00 41 R H H 140.01 1.53 16.00 16.80 91.64 50.10 -64.51 -41.01 0.30 0.00 99.70 0.05 0.02 0.16 99.73 0.05 0.00 0.00 0.00 42 Q H H 104.53 1.69 15.59 16.79 91.97 50.07 -64.27 -41.47 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 43 R H H 129.53 2.25 14.95 17.54 91.94 49.70 -64.84 -41.36 0.26 0.00 99.74 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 44 E H H 103.85 2.06 15.12 17.21 91.69 50.23 -64.20 -40.71 0.34 0.00 99.66 0.03 0.01 0.22 99.71 0.04 0.00 0.00 0.00 45 E H H 107.65 1.54 15.64 16.43 91.63 50.24 -64.51 -40.97 0.31 0.00 99.69 0.03 0.01 0.19 99.74 0.03 0.00 0.00 0.00 46 F H H 109.13 2.12 14.81 17.06 91.78 50.30 -63.97 -42.38 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 47 Y H H 127.27 2.12 14.49 16.86 92.02 49.41 -65.04 -40.86 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 48 V H H 83.11 1.80 14.72 16.32 91.96 50.07 -64.36 -41.34 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 49 K H H 124.55 1.35 15.36 15.79 91.94 49.66 -64.74 -41.47 0.29 0.00 99.71 0.03 0.01 0.18 99.73 0.04 0.00 0.00 0.00 50 L H H 87.60 2.07 14.00 16.34 91.91 49.34 -64.51 -41.50 0.42 0.00 99.58 0.05 0.03 0.26 99.60 0.07 0.00 0.00 0.00 51 A H H 55.60 2.06 13.55 16.12 91.67 51.02 -63.25 -41.18 0.64 0.00 99.36 0.09 0.04 0.38 99.39 0.10 0.00 0.00 0.00 52 A H H 60.48 1.59 13.25 14.82 91.57 50.45 -63.98 -40.14 1.61 0.00 98.39 0.22 0.10 1.04 98.41 0.23 0.00 0.00 0.00 53 E H H 113.51 1.43 12.36 13.76 91.98 50.34 -65.45 -39.11 3.04 0.00 96.96 0.54 0.27 1.89 96.82 0.48 0.00 0.00 0.00 54 K H H 133.17 1.52 10.72 12.87 92.60 51.59 -66.16 -36.97 6.70 0.01 93.29 1.14 0.59 4.38 92.89 0.98 0.00 0.00 0.01 55 N H H 124.11 0.89 9.84 10.84 93.33 52.52 -69.86 -26.84 19.72 0.03 80.25 2.86 1.40 14.50 80.07 1.13 0.00 0.01 0.02 56 A C H 86.21 1.21 8.68 10.60 96.23 59.06 -76.55 -15.05 50.10 0.08 49.83 18.53 1.16 27.26 52.04 0.93 0.00 0.02 0.06 57 E C C 144.97 1.99 10.86 14.05 101.94 79.12 -76.51 46.95 99.91 0.01 0.09 99.42 0.16 0.34 0.08 0.00 0.00 0.00 0.00