# 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 103.88 6.04 10.10 17.80 116.09 -146.76 -91.43 139.96 99.93 0.06 0.01 99.84 0.10 0.01 0.01 0.00 0.00 0.02 0.01 1 T C C 80.67 2.68 10.85 14.79 115.42 -123.70 -80.98 153.52 95.10 0.18 4.72 93.96 0.47 0.53 4.79 0.10 0.00 0.04 0.11 2 T H H 99.42 1.98 10.22 13.27 95.54 -107.37 -63.95 -36.21 10.44 0.04 89.51 3.75 1.63 4.93 88.11 1.53 0.00 0.01 0.02 3 S H H 74.15 1.81 11.03 13.51 93.95 52.86 -66.45 -38.82 6.53 0.02 93.45 1.56 0.76 3.95 91.92 1.79 0.00 0.01 0.01 4 L H H 96.43 1.94 12.02 14.49 93.02 49.95 -66.24 -39.75 2.57 0.01 97.42 0.69 0.30 1.44 95.90 1.66 0.00 0.01 0.00 5 A H H 55.47 2.46 12.27 15.83 92.22 51.77 -64.13 -41.01 0.92 0.00 99.07 0.29 0.10 0.42 98.86 0.33 0.00 0.00 0.00 6 N H H 89.70 2.28 12.99 15.90 92.48 51.07 -64.99 -39.97 0.68 0.00 99.32 0.14 0.05 0.37 99.29 0.15 0.00 0.00 0.00 7 F H H 125.93 1.89 13.58 15.71 92.00 50.42 -64.96 -41.42 0.49 0.00 99.51 0.08 0.03 0.29 99.49 0.10 0.00 0.00 0.00 8 I H H 106.87 1.46 14.60 15.40 92.39 49.42 -64.89 -41.50 0.28 0.00 99.72 0.05 0.02 0.16 99.72 0.06 0.00 0.00 0.00 9 A H H 63.58 1.86 14.54 16.34 92.08 49.70 -64.66 -40.67 0.33 0.00 99.67 0.05 0.02 0.20 99.67 0.07 0.00 0.00 0.00 10 S H H 59.14 2.79 13.54 17.20 92.31 51.08 -64.97 -40.49 0.72 0.00 99.28 0.08 0.03 0.53 99.25 0.11 0.00 0.00 0.00 11 L H H 102.58 1.86 14.63 16.46 91.91 49.99 -64.96 -41.10 0.83 0.00 99.17 0.08 0.04 0.63 99.14 0.11 0.00 0.00 0.00 12 T H H 84.33 1.39 15.84 16.16 92.17 49.45 -64.58 -42.02 0.63 0.00 99.36 0.09 0.04 0.41 99.36 0.10 0.00 0.00 0.00 13 A H H 61.04 1.89 15.27 16.94 91.81 49.47 -64.15 -41.41 0.36 0.00 99.63 0.04 0.02 0.24 99.62 0.09 0.00 0.00 0.00 14 G H H 34.22 3.27 13.67 18.17 91.86 50.98 -63.66 -41.34 0.48 0.00 99.52 0.04 0.02 0.31 99.51 0.11 0.00 0.00 0.00 15 A H H 63.02 2.00 14.86 16.86 91.91 50.70 -64.63 -40.93 0.56 0.00 99.44 0.06 0.03 0.35 99.40 0.17 0.00 0.00 0.00 16 L H H 106.84 1.22 15.73 15.64 92.28 49.61 -65.28 -41.04 1.03 0.00 98.96 0.14 0.06 0.66 98.92 0.22 0.00 0.00 0.00 17 V H H 87.43 1.98 14.57 16.54 92.03 48.70 -65.32 -41.81 2.28 0.04 97.68 0.37 0.19 1.52 97.61 0.27 0.00 0.02 0.01 18 L H H 96.96 2.43 13.92 16.91 91.97 49.86 -64.78 -41.35 3.67 0.18 96.14 1.20 0.42 2.01 95.82 0.39 0.01 0.12 0.04 19 S H H 67.84 1.52 14.97 15.87 92.28 50.34 -64.84 -40.63 5.28 0.17 94.55 2.00 0.61 2.54 94.11 0.56 0.01 0.13 0.04 20 A H H 65.12 1.53 15.22 16.03 92.53 49.99 -65.30 -40.71 4.88 0.09 95.03 1.83 0.48 2.36 94.65 0.60 0.00 0.06 0.02 21 I H H 95.19 2.27 14.37 16.90 92.66 49.29 -65.47 -40.96 3.63 0.05 96.32 1.43 0.39 1.64 95.95 0.53 0.00 0.03 0.01 22 G H H 37.28 2.59 13.95 17.27 91.98 50.98 -64.12 -41.58 2.36 0.03 97.61 0.91 0.21 1.04 97.50 0.31 0.00 0.02 0.01 23 I H H 104.49 1.34 15.39 15.69 92.21 49.91 -64.79 -41.35 0.96 0.01 99.03 0.29 0.08 0.43 99.04 0.15 0.00 0.00 0.00 24 A H H 61.47 1.72 14.64 16.11 91.71 50.63 -64.31 -41.34 0.54 0.00 99.45 0.13 0.03 0.26 99.45 0.11 0.00 0.00 0.00 25 L H H 94.49 2.17 13.84 16.35 91.95 50.21 -64.69 -41.23 0.63 0.01 99.37 0.12 0.04 0.36 99.35 0.13 0.00 0.00 0.00 26 I H H 97.75 1.86 13.96 15.88 92.05 50.07 -64.63 -41.93 0.73 0.01 99.26 0.13 0.05 0.43 99.26 0.12 0.00 0.01 0.00 27 I H H 101.81 1.37 14.55 15.14 92.27 49.34 -65.09 -41.83 0.93 0.01 99.06 0.18 0.07 0.54 99.01 0.19 0.00 0.00 0.00 28 I H H 98.49 1.60 13.55 14.95 92.39 48.38 -65.58 -41.03 1.55 0.01 98.44 0.30 0.13 0.94 98.20 0.43 0.00 0.00 0.00 29 S H H 60.25 2.33 12.07 15.36 92.72 51.34 -65.57 -38.80 4.28 0.01 95.71 0.70 0.36 2.83 95.30 0.79 0.00 0.01 0.01 30 K H H 134.38 1.54 12.63 14.24 93.66 50.94 -68.32 -34.87 11.57 0.03 88.40 1.46 1.10 8.62 87.23 1.55 0.01 0.01 0.02 31 N H H 108.73 1.50 11.91 13.57 94.17 53.81 -72.39 -31.31 21.25 0.13 78.62 4.81 3.45 13.20 76.26 2.13 0.02 0.05 0.08 32 D H H 94.35 2.55 9.68 13.63 97.64 60.77 -76.02 -20.89 37.83 0.58 61.59 21.42 5.71 10.95 58.01 3.39 0.01 0.28 0.23 33 R H H 168.56 1.53 9.27 11.79 99.53 72.46 -78.37 -14.77 43.96 1.69 54.35 25.58 6.55 12.58 48.98 4.74 0.02 1.04 0.50 34 V C H 114.40 1.66 8.11 10.99 102.93 68.15 -85.75 2.87 48.27 4.21 47.52 29.60 8.02 11.38 42.95 4.13 0.05 2.86 1.01 35 Q C C 139.22 1.44 7.68 10.46 108.65 77.63 -89.67 99.45 60.86 5.98 33.16 41.64 7.38 10.75 31.52 3.12 0.02 4.05 1.51 36 R C C 176.04 1.84 6.97 10.54 109.54 -151.18 -92.03 103.71 84.75 2.73 12.52 74.22 1.45 7.91 12.68 1.07 0.00 1.74 0.94 37 S C C 89.06 1.75 10.56 13.50 112.26 -155.11 -94.80 127.86 99.94 0.04 0.02 99.88 0.04 0.04 0.01 0.00 0.00 0.02 0.00