# 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 90.72 7.65 12.19 21.06 110.20 -142.66 -84.92 120.82 99.89 0.03 0.08 99.83 0.06 0.04 0.06 0.00 0.00 0.01 0.00 1 T C C 83.93 3.61 11.28 16.20 100.23 111.25 -74.67 -37.86 59.24 0.47 40.30 53.70 0.88 3.89 40.23 0.90 0.00 0.15 0.25 2 D H H 104.28 1.58 11.53 13.45 95.84 53.16 -68.17 -36.77 16.06 0.09 83.85 9.37 2.36 4.15 82.96 1.09 0.00 0.03 0.04 3 E H H 109.20 3.13 12.24 16.41 93.50 52.82 -66.71 -39.32 4.70 0.04 95.26 2.00 0.68 2.04 94.02 1.22 0.00 0.02 0.02 4 L H H 81.86 4.92 12.46 18.79 92.55 50.95 -65.45 -40.63 2.00 0.02 97.99 0.80 0.24 0.92 97.04 0.98 0.00 0.01 0.00 5 L H H 87.98 2.82 14.61 17.99 92.12 50.68 -64.94 -40.95 1.32 0.01 98.67 0.52 0.15 0.60 98.20 0.53 0.00 0.00 0.00 6 R H H 126.64 2.40 16.57 18.92 92.26 50.46 -64.78 -41.35 1.25 0.01 98.75 0.37 0.12 0.65 98.59 0.27 0.00 0.00 0.00 7 L H H 70.52 5.61 15.39 22.30 92.33 49.76 -64.95 -41.22 1.38 0.00 98.62 0.35 0.12 0.76 98.53 0.23 0.00 0.00 0.00 8 A H H 47.84 5.06 16.14 22.31 91.89 50.92 -64.04 -41.20 1.19 0.00 98.81 0.33 0.10 0.58 98.84 0.14 0.00 0.00 0.00 9 K H H 122.21 2.00 18.71 19.96 92.05 50.08 -64.86 -40.84 0.95 0.00 99.05 0.24 0.07 0.47 99.11 0.12 0.00 0.00 0.00 10 E H H 90.51 4.55 18.12 23.18 92.19 49.67 -65.19 -41.09 0.74 0.00 99.26 0.15 0.05 0.39 99.31 0.11 0.00 0.00 0.00 11 Q H H 73.73 8.61 16.92 26.42 91.99 50.65 -64.02 -40.87 0.75 0.00 99.25 0.14 0.05 0.41 99.30 0.11 0.00 0.00 0.00 12 A H H 48.71 4.18 18.27 22.89 91.47 50.95 -63.73 -41.20 0.75 0.00 99.25 0.15 0.05 0.39 99.31 0.10 0.00 0.00 0.00 13 E H H 101.37 2.59 20.37 22.28 91.78 50.35 -64.62 -41.21 0.80 0.00 99.20 0.13 0.05 0.48 99.25 0.10 0.00 0.00 0.00 14 L H H 54.75 9.16 17.08 27.45 92.12 50.31 -64.62 -41.51 0.79 0.00 99.21 0.10 0.05 0.50 99.26 0.10 0.00 0.00 0.00 15 L H H 64.27 8.50 17.73 27.14 91.69 51.09 -64.04 -41.15 0.52 0.00 99.48 0.09 0.04 0.30 99.50 0.07 0.00 0.00 0.00 16 K H H 119.22 2.01 21.27 22.03 91.68 50.38 -64.54 -40.99 0.44 0.00 99.56 0.06 0.03 0.27 99.59 0.06 0.00 0.00 0.00 17 E H H 85.66 5.50 19.60 25.68 92.11 49.96 -65.39 -40.98 0.50 0.00 99.50 0.06 0.03 0.33 99.52 0.07 0.00 0.00 0.00 18 I H H 38.18 13.78 16.11 30.61 91.88 50.86 -64.23 -41.67 0.33 0.00 99.67 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 19 K H H 109.41 4.25 20.70 25.21 91.73 51.51 -63.59 -41.20 0.26 0.00 99.74 0.05 0.01 0.14 99.76 0.04 0.00 0.00 0.00 20 I H H 88.96 2.79 21.33 23.32 91.74 49.70 -64.30 -42.24 0.21 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 21 L H H 42.35 12.30 17.57 30.68 92.14 49.93 -64.49 -41.51 0.16 0.00 99.84 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 22 V H H 48.70 10.58 17.95 29.38 91.70 49.78 -63.85 -41.87 0.11 0.00 99.89 0.01 0.01 0.06 99.91 0.01 0.00 0.00 0.00 23 E H H 113.26 1.96 22.29 22.75 91.67 50.22 -64.30 -41.23 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 24 L H H 68.95 6.46 19.84 27.07 91.91 49.33 -64.98 -41.61 0.08 0.00 99.92 0.01 0.00 0.05 99.94 0.01 0.00 0.00 0.00 25 I H H 33.69 15.15 16.67 32.23 91.88 49.80 -64.08 -42.04 0.07 0.00 99.93 0.01 0.00 0.04 99.95 0.01 0.00 0.00 0.00 26 A H H 49.02 4.73 20.37 25.66 91.23 51.30 -63.07 -41.29 0.09 0.00 99.91 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 27 M H H 98.00 2.44 21.81 23.07 91.64 50.19 -64.35 -41.17 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 28 L H H 35.83 12.41 17.06 30.55 92.00 50.63 -64.60 -41.67 0.17 0.00 99.83 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 29 V H H 44.86 10.60 17.08 28.76 91.72 50.59 -63.82 -41.93 0.25 0.00 99.75 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 30 K H H 118.52 1.69 20.87 20.83 91.69 50.13 -64.36 -41.15 0.64 0.00 99.36 0.07 0.03 0.41 99.38 0.11 0.00 0.00 0.00 31 V H H 57.67 4.82 16.70 22.86 91.97 48.84 -65.26 -41.17 1.49 0.00 98.51 0.15 0.10 1.06 98.31 0.36 0.00 0.00 0.00 32 I H H 39.66 12.96 11.49 25.29 92.31 50.32 -65.83 -39.33 3.56 0.01 96.43 0.46 0.30 2.52 95.86 0.84 0.00 0.00 0.00 33 Q H H 121.10 3.01 14.52 18.65 92.23 51.66 -67.22 -33.51 15.85 0.02 84.13 1.10 0.95 13.10 83.97 0.85 0.01 0.01 0.01 34 K H H 157.50 0.79 15.04 14.11 95.62 44.05 -80.51 -26.86 29.19 0.06 70.75 2.06 4.70 21.45 70.98 0.72 0.02 0.01 0.05 35 D C C 84.56 3.76 12.41 17.66 113.17 16.84 -136.37 85.41 98.67 0.17 1.16 49.65 47.09 1.76 1.15 0.16 0.00 0.04 0.15 36 P C C 79.37 7.95 9.96 19.55 100.18 -171.59 -67.60 9.70 92.68 0.20 7.11 63.09 8.17 21.52 4.35 2.64 0.00 0.10 0.15 37 S C C 63.31 4.55 13.48 19.31 108.53 95.78 -83.36 109.14 88.88 0.34 10.79 60.68 10.55 17.50 7.76 3.11 0.00 0.13 0.27 38 D H H 93.13 4.31 13.50 19.00 96.68 -129.18 -68.29 -32.15 37.18 0.18 62.63 20.10 12.06 5.09 60.63 1.94 0.00 0.05 0.11 39 E H H 127.61 1.81 15.89 17.46 93.06 56.77 -65.46 -39.11 5.88 0.03 94.09 1.97 1.01 2.68 92.99 1.33 0.00 0.01 0.01 40 A H H 37.24 8.14 14.12 24.01 92.64 51.30 -65.35 -40.38 2.63 0.02 97.35 0.97 0.32 1.25 96.29 1.16 0.00 0.01 0.00 41 L H H 55.82 9.58 14.69 25.64 92.12 51.11 -64.02 -41.04 0.86 0.01 99.14 0.28 0.09 0.39 98.64 0.59 0.00 0.00 0.00 42 K H H 119.76 2.38 20.16 22.00 91.92 50.84 -64.40 -40.97 0.49 0.00 99.51 0.12 0.04 0.24 99.38 0.22 0.00 0.00 0.00 43 A H H 47.05 4.19 19.33 24.14 91.88 50.19 -63.96 -41.81 0.47 0.00 99.53 0.08 0.03 0.26 99.49 0.14 0.00 0.00 0.00 44 L H H 43.61 12.44 16.80 30.02 92.18 50.12 -64.67 -41.39 0.45 0.00 99.55 0.06 0.03 0.26 99.54 0.11 0.00 0.00 0.00 45 A H H 40.80 6.96 18.71 26.84 91.50 50.78 -63.30 -41.41 0.42 0.00 99.58 0.06 0.03 0.22 99.61 0.08 0.00 0.00 0.00 46 E H H 105.29 2.17 21.96 22.64 91.81 50.30 -64.45 -41.40 0.40 0.00 99.60 0.05 0.02 0.23 99.62 0.08 0.00 0.00 0.00 47 L H H 61.06 7.44 18.56 27.13 92.06 49.85 -64.81 -41.83 0.43 0.00 99.57 0.06 0.03 0.25 99.58 0.08 0.00 0.00 0.00 48 V H H 40.49 11.97 16.44 29.37 92.03 50.17 -64.00 -41.90 0.42 0.00 99.58 0.06 0.03 0.24 99.58 0.08 0.00 0.00 0.00 49 R H H 128.81 2.78 20.79 23.08 91.85 50.34 -64.11 -41.50 0.43 0.00 99.57 0.06 0.03 0.26 99.54 0.11 0.00 0.00 0.00 50 K H H 112.50 2.52 20.48 22.33 92.01 49.58 -65.07 -41.07 0.73 0.00 99.27 0.09 0.05 0.48 99.22 0.16 0.00 0.00 0.00 51 L H H 41.74 12.10 15.72 28.88 92.16 50.09 -65.24 -40.80 0.82 0.00 99.18 0.12 0.06 0.51 99.14 0.17 0.00 0.00 0.00 52 K H H 99.66 7.08 18.56 26.29 91.80 51.48 -63.62 -40.88 0.77 0.00 99.23 0.15 0.07 0.42 99.21 0.14 0.00 0.00 0.00 53 E H H 109.21 1.77 20.79 20.82 92.02 50.18 -64.42 -41.20 0.90 0.00 99.10 0.16 0.08 0.54 99.07 0.16 0.00 0.00 0.00 54 L H H 68.97 5.86 18.25 25.17 92.20 49.66 -65.07 -41.63 0.75 0.00 99.24 0.14 0.07 0.42 99.22 0.15 0.00 0.00 0.00 55 V H H 39.89 11.17 15.59 28.02 92.02 49.61 -64.13 -42.22 0.56 0.00 99.43 0.11 0.06 0.29 99.43 0.11 0.00 0.00 0.00 56 E H H 100.55 2.87 19.63 22.21 91.76 50.03 -64.01 -41.34 0.63 0.00 99.36 0.11 0.05 0.35 99.35 0.13 0.00 0.00 0.00 57 D H H 81.54 2.16 19.60 20.77 91.95 49.68 -64.82 -40.66 0.88 0.00 99.12 0.14 0.07 0.52 99.10 0.17 0.00 0.00 0.00 58 M H H 64.49 8.28 16.21 25.79 92.18 50.23 -65.18 -40.66 0.97 0.00 99.03 0.16 0.09 0.56 98.98 0.20 0.00 0.00 0.00 59 E H H 83.73 6.93 16.91 24.81 91.92 51.35 -63.95 -40.97 1.18 0.00 98.82 0.22 0.11 0.67 98.75 0.24 0.00 0.00 0.00 60 R H H 136.53 1.62 19.12 19.31 92.10 49.75 -65.01 -41.14 2.02 0.01 97.97 0.39 0.20 1.21 97.83 0.36 0.00 0.00 0.00 61 S H H 52.24 3.28 17.35 21.16 92.05 50.00 -64.95 -40.44 3.43 0.01 96.56 0.80 0.35 1.98 96.38 0.48 0.00 0.01 0.01 62 M H H 65.69 8.31 14.73 24.37 92.28 50.75 -65.19 -40.11 3.74 0.02 96.25 1.11 0.45 1.92 95.89 0.62 0.00 0.01 0.01 63 K H H 113.75 3.23 16.92 20.70 92.03 51.46 -64.16 -40.60 3.20 0.02 96.78 1.04 0.38 1.55 96.31 0.70 0.00 0.01 0.00 64 E H H 111.05 1.67 17.40 18.06 92.17 50.53 -65.37 -40.38 3.61 0.03 96.36 1.04 0.39 1.95 95.56 1.03 0.00 0.01 0.01 65 Q H H 87.89 4.70 15.43 21.07 92.60 50.23 -66.24 -38.92 5.42 0.04 94.54 1.51 0.56 3.13 93.29 1.47 0.00 0.02 0.01 66 L H H 71.74 6.57 13.00 21.06 92.66 52.82 -65.60 -39.17 6.95 0.11 92.94 2.29 0.83 3.79 90.67 2.32 0.01 0.07 0.03 67 Y H H 141.92 1.86 15.12 16.85 93.32 52.75 -65.87 -39.13 9.88 0.42 89.69 3.54 1.33 5.25 85.95 3.50 0.02 0.31 0.10 68 I H H 106.80 2.08 14.12 16.32 93.94 51.09 -68.50 -38.26 13.72 0.63 85.64 4.82 1.91 7.31 81.97 3.34 0.03 0.48 0.14 69 I H H 88.19 5.84 11.13 18.27 96.67 49.82 -76.48 -27.89 22.06 0.95 76.99 8.64 3.62 10.35 73.75 2.74 0.04 0.61 0.25 70 K H H 132.47 3.64 11.33 16.48 99.98 66.98 -74.67 -11.15 42.12 0.98 56.90 14.81 6.65 20.79 54.28 2.54 0.04 0.51 0.39 71 G C T 56.78 2.00 11.65 14.57 101.66 29.45 -47.08 -5.86 66.73 1.05 32.22 22.01 12.10 32.91 28.17 3.81 0.03 0.52 0.45 72 S C C 79.95 2.72 10.37 14.55 103.47 80.59 -87.29 6.35 77.63 2.30 20.07 44.34 13.85 19.30 15.67 4.65 0.01 1.31 0.86 73 W C C 162.77 5.04 7.71 14.35 107.98 89.78 -90.18 86.67 82.73 5.16 12.11 60.16 10.35 11.94 8.74 3.54 0.01 3.18 2.09 74 S C C 89.14 1.81 9.66 12.95 112.49 152.24 -95.24 126.96 95.21 1.97 2.83 88.92 1.56 5.14 1.87 0.61 0.00 1.21 0.69 75 G C C 54.92 2.56 12.40 16.32 113.70 1.58 96.02 -37.82 99.92 0.07 0.01 99.53 0.35 0.07 0.00 0.00 0.00 0.04 0.01