# 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 71.86 11.67 13.18 25.44 118.77 -149.62 -94.26 141.45 99.96 0.03 0.01 99.90 0.06 0.02 0.00 0.00 0.00 0.01 0.00 1 K C C 114.19 3.79 17.63 21.77 113.70 -120.08 -80.60 137.72 89.98 2.71 7.31 87.56 0.99 1.25 6.95 0.41 0.00 0.60 2.24 2 I H H 55.55 15.63 10.50 25.73 93.54 -122.30 -60.77 -37.72 10.44 0.08 89.48 3.75 1.93 5.03 83.56 5.64 0.01 0.04 0.04 3 S H H 66.69 2.67 16.34 19.42 91.79 56.50 -64.20 -38.18 6.51 0.05 93.45 1.52 0.92 3.80 85.73 7.98 0.01 0.02 0.02 4 E H H 97.88 2.97 17.35 20.51 92.31 50.94 -66.11 -38.78 4.13 0.04 95.83 1.04 0.59 2.29 87.35 8.69 0.00 0.02 0.01 5 L H H 16.85 19.11 11.26 30.20 92.21 51.97 -66.46 -37.63 4.72 0.03 95.24 1.07 0.65 2.70 86.83 8.72 0.00 0.02 0.01 6 R H H 109.35 10.98 14.97 26.41 91.25 57.75 -67.35 -27.41 24.96 0.05 74.99 1.34 1.46 21.88 69.44 5.80 0.02 0.02 0.04 7 D C T 119.99 0.98 18.32 17.53 94.33 54.93 -86.80 -7.19 61.60 0.06 38.33 2.87 3.57 54.73 34.13 4.60 0.01 0.03 0.07 8 K C S 63.11 11.94 9.64 22.48 121.01 98.86 -81.90 151.35 98.63 0.25 1.12 39.13 58.36 1.03 1.04 0.14 0.00 0.05 0.25 9 S C C 56.58 2.52 19.85 21.39 120.05 -111.55 -75.31 161.39 96.97 2.37 0.65 95.64 0.87 0.17 0.55 0.04 0.00 0.28 2.45 10 L H H 64.01 14.64 11.85 26.50 91.86 -106.31 -58.59 -38.69 1.52 0.00 98.48 0.28 0.24 0.84 98.30 0.33 0.00 0.00 0.00 11 E H H 132.75 1.51 18.84 19.48 91.21 53.10 -63.77 -40.12 0.77 0.00 99.23 0.08 0.06 0.55 98.90 0.42 0.00 0.00 0.00 12 E H H 96.64 3.17 19.06 22.22 91.72 48.85 -65.23 -40.31 0.41 0.00 99.59 0.06 0.03 0.27 99.17 0.48 0.00 0.00 0.00 13 L H H 11.72 19.08 12.97 32.59 91.61 50.42 -63.53 -42.82 0.21 0.00 99.79 0.03 0.01 0.11 99.71 0.13 0.00 0.00 0.00 14 T H H 54.14 9.52 18.67 28.94 91.17 50.91 -63.04 -41.46 0.34 0.00 99.66 0.03 0.01 0.20 99.69 0.06 0.00 0.00 0.00 15 Q H H 105.39 1.52 22.79 21.69 91.90 50.11 -64.33 -42.13 0.43 0.00 99.57 0.03 0.01 0.27 99.62 0.06 0.00 0.00 0.00 16 L H H 54.56 8.38 19.64 29.14 91.71 49.39 -64.94 -41.45 0.33 0.00 99.67 0.05 0.02 0.18 99.69 0.06 0.00 0.00 0.00 17 L H H 16.67 18.79 15.33 34.39 91.58 50.47 -63.88 -42.09 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 18 D H H 77.43 3.82 21.51 25.37 91.45 50.48 -63.45 -41.06 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 19 E H H 110.22 2.07 22.36 22.88 91.73 49.65 -64.83 -41.24 0.34 0.00 99.66 0.03 0.01 0.21 99.70 0.04 0.00 0.00 0.00 20 K H H 43.45 14.23 17.14 31.83 91.88 49.95 -65.07 -41.44 0.40 0.00 99.60 0.04 0.02 0.23 99.66 0.05 0.00 0.00 0.00 21 Q H H 68.08 11.66 18.49 30.37 91.41 51.43 -63.19 -41.41 0.42 0.00 99.58 0.06 0.02 0.21 99.67 0.05 0.00 0.00 0.00 22 L H H 92.18 1.93 22.61 22.58 91.77 49.99 -63.96 -41.79 0.27 0.00 99.73 0.04 0.01 0.14 99.77 0.04 0.00 0.00 0.00 23 D H H 60.58 5.67 20.47 26.90 91.78 49.68 -64.95 -40.74 0.24 0.00 99.76 0.02 0.01 0.14 99.78 0.04 0.00 0.00 0.00 24 A H H 15.86 15.64 15.26 31.71 91.70 51.66 -63.46 -41.93 0.24 0.00 99.76 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 25 F H H 106.12 3.63 20.93 24.54 91.59 50.53 -63.71 -41.34 0.17 0.00 99.82 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 26 R H H 138.00 1.94 21.69 22.26 91.93 49.85 -64.75 -40.84 0.30 0.00 99.70 0.02 0.01 0.20 99.71 0.06 0.00 0.00 0.00 27 I H H 32.95 12.67 15.22 29.16 91.94 50.74 -64.51 -41.45 0.48 0.00 99.52 0.05 0.02 0.30 99.53 0.10 0.00 0.00 0.00 28 R H H 108.32 7.62 17.62 26.19 91.73 51.90 -63.04 -41.52 0.79 0.00 99.21 0.11 0.05 0.48 99.18 0.19 0.00 0.00 0.00 29 M H H 108.32 1.51 19.13 18.88 92.08 49.80 -64.47 -40.48 1.90 0.01 98.09 0.30 0.16 1.25 97.85 0.43 0.00 0.00 0.00 30 A H H 37.03 5.41 14.11 21.62 92.28 51.23 -64.84 -40.26 3.94 0.04 96.02 0.90 0.46 2.45 95.27 0.88 0.01 0.01 0.02 31 K H H 88.38 9.44 12.06 22.49 92.65 52.34 -65.06 -39.65 6.19 0.05 93.76 1.30 0.66 4.16 91.36 2.45 0.02 0.03 0.02 32 A H H 86.83 1.42 13.57 15.21 91.68 53.63 -66.46 -29.62 14.10 0.07 85.83 1.17 1.03 11.97 83.44 2.29 0.03 0.03 0.04 33 T C T 99.74 1.36 12.47 13.70 94.24 49.58 -86.95 -1.87 65.80 0.09 34.11 1.21 3.78 59.78 32.61 2.48 0.01 0.03 0.09 34 G C T 58.78 1.89 11.89 15.03 96.29 -108.52 79.75 9.16 98.38 0.06 1.56 5.67 10.10 82.81 0.84 0.52 0.00 0.03 0.04 35 Q C C 120.77 2.54 12.77 16.50 99.28 121.68 -86.88 -8.26 97.65 0.34 2.01 65.59 26.90 4.99 0.62 1.47 0.00 0.13 0.30 36 L C C 62.26 12.88 8.43 21.00 111.82 70.08 -100.97 103.77 95.75 0.72 3.53 66.88 18.61 10.04 0.96 2.60 0.00 0.27 0.63 37 G C C 52.82 2.75 15.41 18.94 102.33 -168.76 -80.12 -26.09 97.34 0.35 2.30 65.86 24.58 6.91 0.73 1.48 0.00 0.13 0.31 38 N C C 85.27 5.17 13.63 20.23 107.34 50.57 -103.56 90.66 97.06 0.52 2.42 81.84 13.22 2.00 1.57 0.70 0.00 0.15 0.51 39 T H H 77.93 7.48 11.94 21.03 94.69 -163.35 -66.64 -33.03 22.21 0.14 77.64 9.84 4.64 8.26 74.17 2.95 0.01 0.05 0.09 40 H H H 139.50 1.24 17.04 17.15 92.09 57.78 -64.70 -38.06 9.47 0.04 90.49 2.23 1.36 5.63 88.37 2.37 0.01 0.01 0.02 41 E H H 82.40 6.96 16.72 24.77 92.28 50.56 -66.43 -40.18 2.99 0.02 97.00 1.00 0.36 1.49 95.32 1.80 0.00 0.01 0.00 42 V H H 22.69 16.22 13.28 29.93 91.91 51.04 -63.92 -42.01 1.02 0.00 98.98 0.29 0.10 0.50 98.49 0.62 0.00 0.00 0.00 43 R H H 127.34 3.21 21.00 24.01 91.52 50.73 -63.65 -41.52 0.83 0.00 99.17 0.21 0.07 0.44 98.99 0.30 0.00 0.00 0.00 44 V H H 74.85 3.22 21.54 24.28 91.76 49.66 -64.29 -42.14 0.63 0.00 99.37 0.13 0.05 0.34 99.33 0.14 0.00 0.00 0.00 45 N H H 24.21 16.25 16.61 33.19 91.99 50.25 -64.54 -41.44 0.58 0.00 99.41 0.13 0.05 0.31 99.42 0.09 0.00 0.00 0.00 46 R H H 106.00 10.05 20.19 30.41 91.84 51.52 -63.14 -41.49 0.31 0.00 99.69 0.06 0.02 0.16 99.72 0.04 0.00 0.00 0.00 47 R H H 140.06 1.88 23.81 24.06 91.97 49.48 -64.54 -41.46 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 48 A H H 29.78 10.49 20.43 31.87 91.84 49.55 -64.66 -41.71 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 I H H 21.81 18.14 18.13 36.24 91.56 49.92 -63.41 -42.66 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 50 A H H 50.89 4.02 23.23 27.01 91.13 50.98 -62.74 -41.97 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 51 Q H H 92.44 3.79 23.90 27.39 91.71 49.80 -64.50 -41.86 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 52 L H H 17.27 18.76 17.89 36.83 91.64 50.03 -64.01 -42.40 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 53 Q H H 75.86 10.87 21.30 32.06 91.29 51.42 -62.79 -41.52 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 54 T H H 71.18 2.31 23.39 24.02 91.61 49.82 -63.79 -42.62 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 55 L H H 43.41 9.25 19.84 30.38 91.70 49.16 -64.56 -42.43 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 56 I H H 26.19 15.60 16.36 32.61 91.62 49.38 -64.14 -42.49 0.45 0.00 99.55 0.06 0.03 0.24 99.58 0.08 0.00 0.00 0.00 57 N H H 79.29 3.64 19.56 23.38 91.62 49.99 -63.82 -41.07 1.25 0.00 98.75 0.21 0.09 0.74 98.75 0.21 0.00 0.00 0.00 58 E H H 104.77 2.38 18.50 20.38 92.09 49.94 -65.20 -40.58 2.81 0.01 97.18 0.41 0.25 1.85 97.03 0.45 0.00 0.00 0.00 59 K H H 86.27 7.80 14.56 23.63 92.41 49.63 -66.85 -39.00 6.56 0.02 93.42 1.26 0.75 4.14 93.12 0.71 0.00 0.01 0.01 60 Q H H 89.74 6.45 12.98 20.87 92.94 51.60 -67.32 -35.80 17.30 0.08 82.62 4.14 2.27 10.35 82.10 1.05 0.01 0.03 0.05 61 R H H 167.25 1.42 13.44 14.88 94.89 51.61 -73.10 -24.05 37.42 0.22 62.36 9.71 5.41 21.82 61.30 1.54 0.02 0.07 0.14 62 G C H 51.72 2.64 10.53 14.49 100.41 57.18 -73.25 -18.81 61.88 0.43 37.69 20.82 9.53 30.73 36.24 2.26 0.01 0.15 0.26 63 D C C 111.09 2.39 9.27 13.18 103.41 67.41 -86.49 18.52 85.47 0.27 14.25 58.94 1.84 23.78 13.87 1.27 0.00 0.11 0.19 64 S C C 82.89 2.96 10.64 15.26 107.12 110.38 -84.56 87.15 99.97 0.01 0.01 99.88 0.06 0.05 0.01 0.00 0.00 0.00 0.00