# 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 N C C 106.46 3.64 13.44 18.20 106.91 56.46 -87.28 96.06 99.95 0.01 0.04 99.87 0.06 0.05 0.02 0.00 0.00 0.00 0.00 1 L C C 106.39 4.21 10.10 15.91 100.63 140.97 -75.29 -20.14 61.59 0.30 38.11 45.62 1.42 13.37 36.59 2.68 0.00 0.12 0.20 2 N C H 99.62 2.86 11.77 15.67 100.41 65.52 -76.03 -17.03 52.16 0.25 47.58 29.64 4.30 16.57 46.16 3.08 0.00 0.10 0.16 3 M H H 96.97 5.77 10.56 17.88 94.15 74.06 -65.92 -37.18 15.02 0.08 84.90 6.18 2.37 6.25 81.79 3.33 0.01 0.03 0.04 4 D H H 94.59 2.03 13.67 16.04 92.49 54.04 -65.21 -39.04 9.33 0.06 90.61 3.81 1.17 4.17 88.34 2.46 0.00 0.03 0.03 5 L H H 97.07 1.95 14.95 16.77 92.30 50.24 -65.82 -40.46 2.64 0.01 97.34 0.96 0.31 1.22 96.13 1.36 0.00 0.01 0.00 6 L H H 68.98 7.41 13.77 22.43 92.22 51.17 -64.90 -41.22 0.95 0.00 99.05 0.28 0.08 0.47 98.69 0.48 0.00 0.00 0.00 7 Y H H 112.83 6.22 16.01 23.26 91.92 49.93 -64.39 -41.34 0.57 0.00 99.43 0.11 0.04 0.32 99.27 0.26 0.00 0.00 0.00 8 M H H 110.57 1.82 19.50 20.05 91.93 49.12 -64.57 -41.62 0.38 0.00 99.62 0.05 0.02 0.22 99.58 0.12 0.00 0.00 0.00 9 A H H 50.46 3.98 18.68 23.13 91.87 49.68 -64.41 -41.67 0.30 0.00 99.70 0.03 0.01 0.18 99.70 0.07 0.00 0.00 0.00 10 A H H 28.82 11.25 15.86 28.26 91.69 50.70 -64.11 -41.10 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 11 A H H 51.32 5.58 18.88 25.23 91.64 51.13 -63.43 -41.42 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 12 V H H 90.25 1.96 22.20 22.49 91.56 49.25 -64.20 -42.15 0.18 0.00 99.82 0.01 0.01 0.12 99.80 0.06 0.00 0.00 0.00 13 M H H 75.42 7.90 19.49 27.89 91.85 49.44 -64.82 -41.77 0.28 0.00 99.72 0.02 0.01 0.19 99.69 0.08 0.00 0.00 0.00 14 M H H 64.56 11.99 18.20 30.42 91.52 50.19 -63.91 -41.55 0.50 0.00 99.50 0.03 0.02 0.36 99.48 0.11 0.00 0.00 0.00 15 G H H 36.52 3.59 21.23 24.67 91.57 50.70 -63.60 -42.32 0.88 0.00 99.12 0.07 0.04 0.65 99.10 0.15 0.00 0.00 0.00 16 L H H 91.60 2.73 23.04 24.76 91.44 48.98 -64.73 -41.58 0.72 0.00 99.28 0.06 0.04 0.51 99.17 0.23 0.00 0.00 0.00 17 A H H 27.85 12.13 17.27 30.39 91.72 51.14 -64.36 -41.46 0.92 0.00 99.07 0.08 0.04 0.69 98.86 0.33 0.00 0.00 0.00 18 A H H 45.22 8.58 19.56 28.76 91.71 50.55 -63.70 -41.63 1.25 0.00 98.75 0.11 0.06 0.92 98.59 0.32 0.00 0.00 0.00 19 I H H 104.49 1.79 24.26 23.92 91.51 48.80 -64.30 -42.01 1.00 0.00 99.00 0.10 0.06 0.65 98.97 0.21 0.00 0.00 0.00 20 G H H 27.83 6.27 20.11 27.27 91.80 50.73 -64.23 -41.83 1.02 0.00 98.98 0.14 0.06 0.61 99.00 0.19 0.00 0.00 0.00 21 A H H 27.10 13.24 16.50 30.52 91.56 50.99 -64.09 -40.64 1.00 0.00 99.00 0.11 0.05 0.65 99.00 0.19 0.00 0.00 0.00 22 A H H 58.33 4.10 21.58 25.58 91.67 50.84 -63.98 -41.64 0.75 0.00 99.25 0.09 0.04 0.46 99.27 0.13 0.00 0.00 0.00 23 I H H 101.23 2.07 22.91 23.18 91.82 48.36 -64.86 -41.85 0.50 0.00 99.50 0.06 0.03 0.29 99.54 0.08 0.00 0.00 0.00 24 G H H 19.42 10.22 17.41 28.97 91.96 51.01 -64.15 -41.95 0.60 0.00 99.40 0.07 0.03 0.36 99.45 0.10 0.00 0.00 0.00 25 I H H 68.07 9.73 18.38 28.76 91.64 50.02 -64.11 -41.20 0.52 0.00 99.48 0.05 0.03 0.32 99.51 0.09 0.00 0.00 0.00 26 G H H 39.38 2.81 20.81 23.02 91.97 50.75 -63.84 -41.80 0.65 0.00 99.35 0.08 0.04 0.40 99.37 0.12 0.00 0.00 0.00 27 I H H 92.80 3.44 20.79 23.86 92.25 48.72 -65.64 -41.48 1.02 0.00 98.98 0.10 0.06 0.71 98.97 0.15 0.00 0.00 0.00 28 L H H 55.79 9.56 17.33 28.03 91.94 49.15 -64.74 -41.37 1.37 0.00 98.63 0.13 0.08 0.97 98.63 0.18 0.00 0.00 0.00 29 G H H 30.20 5.90 17.99 25.09 91.73 50.97 -63.84 -40.90 2.16 0.00 97.84 0.23 0.14 1.48 97.92 0.23 0.00 0.00 0.00 30 G H H 36.20 2.90 19.36 21.99 92.00 51.19 -64.20 -41.23 1.99 0.00 98.01 0.22 0.13 1.33 98.02 0.30 0.00 0.00 0.00 31 K H H 112.25 3.86 19.39 23.45 92.12 49.90 -65.46 -40.98 1.78 0.00 98.22 0.23 0.14 1.16 98.12 0.35 0.00 0.00 0.00 32 F H H 85.99 8.88 16.53 26.36 92.09 50.37 -64.31 -41.36 1.81 0.00 98.19 0.32 0.14 1.10 98.03 0.40 0.00 0.00 0.00 33 L H H 89.42 3.73 18.27 22.40 92.02 49.50 -64.85 -40.95 1.76 0.01 98.23 0.37 0.16 1.00 98.09 0.36 0.00 0.00 0.00 34 E H H 107.99 1.91 19.29 19.97 92.05 49.64 -65.01 -40.77 2.36 0.01 97.64 0.35 0.19 1.56 97.38 0.52 0.00 0.00 0.00 35 G H H 22.09 6.20 14.68 23.01 91.93 50.76 -64.20 -40.17 4.01 0.01 95.98 0.41 0.29 2.98 95.17 1.13 0.01 0.00 0.00 36 A H H 39.45 8.04 12.30 22.23 92.05 52.12 -65.47 -35.74 5.30 0.01 94.69 0.39 0.35 4.28 92.63 2.34 0.01 0.00 0.00 37 A H H 77.56 1.84 14.63 16.69 91.83 54.88 -67.65 -30.20 15.63 0.01 84.36 0.47 0.61 14.67 82.11 2.11 0.01 0.00 0.01 38 R H H 172.10 1.12 14.17 14.64 96.27 45.73 -83.48 -24.89 28.35 0.03 71.62 0.61 2.09 25.66 70.18 1.40 0.03 0.01 0.03 39 Q C C 81.45 5.64 10.39 17.99 112.19 29.91 -130.43 84.98 99.64 0.06 0.30 83.42 15.89 0.34 0.18 0.07 0.00 0.01 0.08 40 P H G 95.66 3.65 10.83 16.75 92.88 -173.77 -62.14 -30.45 13.21 0.02 86.77 0.93 0.67 9.36 2.26 86.76 0.00 0.01 0.00 41 D H G 123.84 0.76 14.46 13.98 91.21 61.14 -73.43 -13.96 12.23 0.01 87.76 0.44 0.54 9.80 2.34 86.88 0.00 0.01 0.00 42 L H G 56.14 9.21 10.56 21.50 95.79 57.41 -90.69 -9.48 8.94 0.02 91.04 1.42 0.71 5.55 7.19 85.11 0.00 0.01 0.00 43 I H H 65.04 10.35 11.56 23.33 92.58 91.09 -59.28 -43.04 1.79 0.00 98.21 0.53 0.24 0.79 97.14 1.30 0.00 0.00 0.00 44 P H H 87.28 1.53 17.78 18.07 91.11 50.32 -63.65 -39.67 0.89 0.00 99.11 0.13 0.05 0.57 97.88 1.37 0.00 0.00 0.00 45 L H H 91.37 2.66 17.30 19.95 91.75 49.97 -65.52 -40.24 0.42 0.00 99.58 0.05 0.02 0.27 98.43 1.23 0.00 0.00 0.00 46 L H H 39.27 12.33 12.86 26.34 92.05 50.57 -64.93 -40.83 0.37 0.00 99.63 0.06 0.03 0.21 99.33 0.37 0.00 0.00 0.00 47 R H H 123.43 5.21 17.12 23.43 91.59 51.53 -63.90 -40.63 0.60 0.00 99.40 0.10 0.04 0.35 99.37 0.13 0.00 0.00 0.00 48 T H H 76.48 1.90 18.80 19.38 91.89 49.60 -65.11 -41.52 0.78 0.00 99.22 0.13 0.05 0.48 99.24 0.10 0.00 0.00 0.00 49 Q H H 84.46 5.11 17.34 23.36 91.96 49.47 -65.45 -40.53 0.52 0.00 99.48 0.08 0.03 0.31 99.50 0.08 0.00 0.00 0.00 50 F H H 65.20 11.46 14.52 26.79 91.95 51.15 -64.26 -41.13 0.46 0.00 99.54 0.07 0.02 0.28 99.54 0.08 0.00 0.00 0.00 51 F H H 115.65 3.64 18.05 22.28 92.06 50.23 -64.42 -41.13 0.28 0.00 99.72 0.04 0.01 0.18 99.70 0.07 0.00 0.00 0.00 52 I H H 101.63 2.02 19.45 20.34 91.94 48.93 -64.74 -41.91 0.26 0.00 99.74 0.03 0.01 0.16 99.73 0.06 0.00 0.00 0.00 53 V H H 56.03 7.65 17.08 25.85 92.26 48.42 -65.39 -41.38 0.35 0.00 99.64 0.04 0.02 0.23 99.63 0.08 0.00 0.00 0.00 54 M H H 62.58 10.78 16.20 27.71 91.80 50.96 -63.70 -41.01 0.47 0.00 99.53 0.04 0.02 0.34 99.47 0.14 0.00 0.00 0.00 55 G H H 35.99 3.68 18.74 22.80 91.62 51.40 -63.79 -40.58 1.21 0.00 98.79 0.07 0.04 0.96 98.65 0.28 0.00 0.00 0.00 56 L H H 95.92 2.89 20.18 22.66 92.19 49.05 -65.85 -40.36 1.57 0.00 98.43 0.09 0.07 1.24 97.95 0.64 0.00 0.00 0.00 57 V H H 42.40 12.09 16.36 29.02 92.61 49.54 -65.84 -40.96 3.51 0.00 96.49 0.19 0.16 2.98 95.51 1.16 0.00 0.00 0.00 58 D H H 63.66 9.56 17.75 27.84 92.78 49.93 -66.34 -35.31 18.92 0.01 81.07 0.45 0.50 17.67 80.21 1.16 0.00 0.00 0.00 59 A H H 57.40 3.07 20.47 23.16 92.21 55.33 -65.16 -40.50 11.32 0.00 88.67 0.54 0.59 9.51 88.49 0.85 0.00 0.00 0.00 60 I H H 74.14 6.13 19.64 26.43 92.32 51.32 -64.82 -41.99 1.62 0.00 98.38 0.34 0.16 0.80 98.22 0.48 0.00 0.00 0.00 61 P H H 32.07 13.90 15.84 30.29 92.07 51.33 -63.50 -41.41 1.02 0.00 98.98 0.26 0.06 0.53 98.55 0.60 0.00 0.00 0.00 62 M H H 102.14 3.84 20.75 24.76 91.76 50.61 -64.28 -41.15 0.42 0.00 99.58 0.08 0.03 0.24 99.24 0.42 0.00 0.00 0.00 63 I H H 98.20 2.41 21.65 23.00 91.93 49.15 -64.69 -41.96 0.21 0.00 99.79 0.03 0.01 0.11 99.76 0.08 0.00 0.00 0.00 64 A H H 28.32 10.66 16.65 28.62 91.92 50.99 -64.20 -41.97 0.16 0.00 99.84 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 65 V H H 63.99 7.99 18.67 27.47 91.89 49.77 -64.32 -41.66 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 66 G H H 36.77 2.71 20.03 22.21 91.64 50.56 -63.70 -41.86 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 67 L H H 79.23 4.08 18.77 23.33 91.96 49.57 -65.19 -41.12 0.30 0.00 99.70 0.02 0.01 0.19 99.70 0.07 0.00 0.00 0.00 68 G H H 20.24 9.47 14.75 25.95 91.51 51.79 -63.63 -41.39 0.61 0.00 99.39 0.04 0.02 0.42 99.36 0.15 0.00 0.00 0.00 69 L H H 89.16 3.43 17.49 21.22 91.88 50.58 -64.86 -41.27 0.85 0.00 99.15 0.06 0.03 0.63 99.02 0.26 0.00 0.00 0.00 70 Y H H 135.68 1.91 16.86 18.23 92.10 50.04 -65.12 -40.97 0.97 0.00 99.03 0.14 0.07 0.63 98.72 0.44 0.00 0.00 0.00 71 V H H 70.28 4.83 13.91 20.29 92.40 49.75 -65.42 -40.81 1.64 0.01 98.36 0.26 0.12 1.12 97.72 0.77 0.00 0.00 0.00 72 M H H 97.67 4.56 12.88 18.82 92.49 50.50 -65.67 -39.06 3.29 0.01 96.70 0.39 0.24 2.46 95.78 1.12 0.00 0.00 0.00 73 F H H 143.83 1.53 12.64 14.32 93.77 48.51 -69.47 -33.27 10.66 0.05 89.29 1.49 1.04 7.82 87.83 1.75 0.01 0.02 0.02 74 A H H 75.71 2.14 10.84 13.95 94.98 53.64 -72.94 -29.20 27.26 0.27 72.47 5.82 3.58 17.80 70.71 1.81 0.03 0.10 0.15 75 V C H 100.60 3.17 9.20 13.96 100.28 52.00 -85.87 -10.18 52.78 0.40 46.82 28.29 1.81 20.90 47.17 1.43 0.00 0.15 0.25 76 A C C 76.49 3.51 11.85 16.79 104.93 109.05 -73.12 69.48 99.95 0.01 0.04 99.88 0.04 0.05 0.03 0.00 0.00 0.01 0.00