# 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 H C C 124.52 4.46 10.61 16.73 114.63 -163.71 -98.84 130.31 99.74 0.09 0.18 99.56 0.13 0.14 0.10 0.01 0.00 0.04 0.02 1 S C C 81.99 2.43 8.79 12.71 105.54 -149.13 -84.87 26.99 76.18 0.64 23.18 63.47 1.52 11.57 19.28 3.49 0.00 0.33 0.35 2 D C C 115.06 1.55 8.74 11.35 100.34 60.77 -81.46 -9.60 61.28 0.94 37.78 30.85 10.92 20.20 30.63 6.43 0.01 0.42 0.54 3 G H H 46.99 2.52 9.09 12.96 101.35 63.54 -67.56 -35.98 46.23 1.31 52.46 24.23 10.58 13.05 41.56 9.30 0.04 0.63 0.62 4 I H H 118.61 1.97 9.49 12.49 97.02 56.06 -72.20 -33.48 33.20 2.69 64.10 17.14 7.76 10.82 53.34 8.30 0.14 1.65 0.85 5 F H H 141.87 2.12 10.01 13.21 98.81 54.46 -79.08 -24.86 33.30 3.32 63.38 18.09 7.62 10.13 53.79 7.17 0.14 2.05 1.02 6 T H H 84.49 2.79 10.71 14.75 101.27 60.70 -79.32 -27.74 36.22 1.40 62.38 21.73 7.85 7.87 57.63 3.72 0.02 0.71 0.47 7 D H H 90.89 2.69 11.57 15.24 103.35 61.41 -81.89 -3.99 35.31 0.60 64.09 19.18 7.42 8.98 61.35 2.55 0.01 0.27 0.23 8 S H H 64.76 2.84 11.74 15.66 97.64 67.84 -70.88 -37.03 24.41 0.35 75.25 13.02 4.83 7.18 72.35 2.31 0.01 0.14 0.15 9 Y H H 138.03 1.91 12.54 14.82 93.55 53.18 -66.64 -39.34 10.15 0.13 89.71 4.49 1.76 4.26 87.46 1.90 0.01 0.06 0.05 10 S H H 58.58 2.16 13.16 15.85 92.82 51.94 -65.23 -40.57 7.26 0.09 92.65 3.46 1.10 2.93 91.00 1.43 0.00 0.05 0.04 11 R H H 136.67 1.71 13.75 15.45 92.32 50.82 -65.26 -40.45 4.04 0.04 95.92 1.59 0.64 1.87 94.99 0.86 0.00 0.02 0.01 12 Y H H 130.66 1.85 13.66 15.66 92.13 50.32 -65.01 -41.35 1.94 0.02 98.04 0.71 0.27 0.88 97.74 0.38 0.00 0.01 0.00 13 R H H 139.36 1.57 14.19 15.55 91.99 50.34 -64.86 -40.56 0.98 0.00 99.02 0.32 0.10 0.46 98.90 0.21 0.00 0.00 0.00 14 K H H 124.56 1.55 14.61 15.84 91.90 50.26 -64.64 -40.52 0.82 0.00 99.17 0.20 0.08 0.45 99.11 0.17 0.00 0.00 0.00 15 Q H H 104.16 1.74 14.89 16.37 91.88 49.93 -64.74 -40.82 0.87 0.00 99.13 0.16 0.07 0.50 99.14 0.13 0.00 0.00 0.00 16 M H H 98.00 1.88 14.99 16.66 91.75 49.97 -64.51 -41.02 0.84 0.00 99.16 0.19 0.08 0.44 99.21 0.08 0.00 0.00 0.00 17 A H H 54.32 2.07 14.57 16.89 91.67 50.76 -63.67 -41.17 0.59 0.00 99.41 0.12 0.04 0.30 99.48 0.06 0.00 0.00 0.00 18 V H H 82.47 1.90 14.63 16.50 91.82 50.15 -64.21 -41.33 0.43 0.00 99.57 0.07 0.02 0.22 99.63 0.04 0.00 0.00 0.00 19 K H H 124.00 1.73 14.91 16.49 91.88 50.82 -64.00 -40.68 0.25 0.00 99.75 0.04 0.01 0.13 99.79 0.03 0.00 0.00 0.00 20 K H H 130.70 1.41 15.13 15.91 91.87 50.04 -64.80 -40.88 0.24 0.00 99.76 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 21 Y H H 136.54 1.57 14.94 16.02 92.15 49.43 -64.87 -41.96 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.04 0.00 0.00 0.00 22 L H H 93.37 2.02 14.67 16.79 91.86 49.32 -64.34 -41.20 0.28 0.00 99.72 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 23 A H H 56.80 2.30 14.00 16.90 91.70 50.61 -63.50 -40.60 0.82 0.00 99.18 0.09 0.04 0.56 99.09 0.21 0.00 0.00 0.00 24 A H H 63.33 1.73 14.50 16.03 92.13 50.84 -64.98 -40.34 3.35 0.01 96.65 0.25 0.16 2.71 96.39 0.48 0.00 0.00 0.00 25 V H H 92.52 1.52 14.30 15.33 92.34 48.36 -66.34 -40.13 7.21 0.04 92.75 0.80 0.63 5.41 92.50 0.62 0.01 0.01 0.01 26 L H H 96.90 2.10 13.19 15.71 93.18 48.75 -69.69 -34.15 22.29 0.33 77.38 5.23 3.79 12.94 76.58 1.13 0.04 0.12 0.17 27 G H H 36.47 3.38 12.88 17.50 98.79 51.87 -60.37 -40.17 37.22 0.25 62.52 15.81 3.68 16.81 61.52 1.94 0.01 0.11 0.12 28 K H H 129.13 1.83 13.58 15.49 93.92 51.37 -66.96 -38.40 17.75 0.17 82.08 7.51 3.25 7.34 79.15 2.58 0.01 0.07 0.07 29 R H H 138.67 1.67 13.86 15.42 93.22 53.13 -66.11 -40.09 10.38 0.17 89.45 5.08 1.64 4.12 86.36 2.65 0.01 0.09 0.05 30 Y H H 118.92 2.69 12.45 16.19 92.66 50.88 -65.37 -40.96 5.50 0.09 94.40 2.72 0.82 2.14 92.13 2.10 0.00 0.05 0.03 31 K H H 117.71 1.86 13.10 15.31 92.21 51.37 -64.72 -40.46 4.18 0.05 95.77 1.69 0.57 1.93 93.99 1.78 0.00 0.03 0.01 32 Q H H 102.09 1.44 12.72 14.02 92.13 50.84 -65.43 -39.82 4.92 0.06 95.03 1.67 0.66 2.56 92.96 2.09 0.01 0.03 0.02 33 R H H 135.92 1.61 11.57 13.59 92.23 50.86 -66.25 -39.66 7.25 0.09 92.66 2.34 0.98 3.93 90.42 2.24 0.01 0.04 0.03 34 V H H 92.60 2.03 9.90 12.99 92.69 49.72 -68.65 -37.12 12.37 0.16 87.47 4.02 1.77 6.75 85.02 2.27 0.02 0.08 0.07 35 K H H 150.48 1.11 9.78 11.29 94.11 52.46 -71.24 -26.88 27.29 0.17 72.53 5.90 3.48 17.88 70.73 1.82 0.02 0.06 0.11 36 N C H 126.10 1.16 9.38 11.13 98.42 50.04 -84.90 5.10 60.25 0.16 39.59 21.01 2.16 34.84 40.36 1.47 0.00 0.05 0.11 37 K C C 143.13 2.91 10.41 14.87 103.68 111.31 -77.61 44.57 99.82 0.02 0.16 99.38 0.16 0.29 0.14 0.01 0.00 0.01 0.00