# 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 133.62 2.91 12.05 16.30 112.19 -151.38 -93.74 121.65 99.77 0.22 0.01 99.66 0.15 0.04 0.00 0.00 0.00 0.12 0.02 1 I C C 80.81 7.20 7.63 16.39 119.23 -169.19 -102.49 137.97 86.70 13.00 0.29 87.17 1.06 0.15 0.24 0.05 0.00 5.50 5.83 2 S C C 63.10 1.66 12.68 14.40 120.71 -128.69 -81.81 163.89 94.80 4.53 0.68 93.78 1.47 0.27 0.60 0.09 0.00 2.52 1.27 3 D H H 110.80 2.35 9.81 13.91 92.18 -101.78 -60.25 -37.74 4.42 0.02 95.56 0.95 0.80 2.56 94.73 0.95 0.00 0.00 0.01 4 E H H 139.69 0.96 12.22 12.69 92.15 52.60 -65.52 -39.25 2.13 0.01 97.86 0.31 0.22 1.46 97.09 0.91 0.00 0.00 0.00 5 Q H H 100.09 2.17 12.48 15.32 92.52 49.04 -65.99 -40.44 0.98 0.00 99.02 0.22 0.10 0.58 98.18 0.91 0.00 0.00 0.00 6 L H H 80.50 3.74 11.97 17.39 91.89 50.54 -64.32 -41.58 0.35 0.00 99.65 0.08 0.03 0.18 99.55 0.16 0.00 0.00 0.00 7 N H H 85.08 2.62 14.01 17.39 91.76 50.28 -64.36 -40.65 0.42 0.00 99.58 0.06 0.02 0.25 99.57 0.09 0.00 0.00 0.00 8 S H H 63.84 1.80 15.26 16.68 92.03 50.37 -64.59 -41.24 0.31 0.00 99.69 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 9 L H H 92.93 2.16 15.35 17.52 92.12 49.76 -64.73 -41.64 0.16 0.00 99.84 0.02 0.01 0.09 99.84 0.03 0.00 0.00 0.00 10 A H H 52.04 3.47 14.15 18.91 91.88 50.64 -63.89 -41.73 0.13 0.00 99.87 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 11 I H H 98.76 2.16 15.50 17.68 91.90 49.48 -64.52 -41.38 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.02 0.00 0.00 0.00 12 T H H 79.78 1.69 16.01 16.96 92.04 49.89 -64.20 -41.99 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.02 0.00 0.00 0.00 13 F H H 116.87 2.09 15.47 17.49 91.99 49.36 -64.74 -41.13 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 14 G H H 33.49 3.27 14.17 18.68 91.71 51.42 -63.51 -41.69 0.18 0.00 99.82 0.01 0.01 0.12 99.84 0.03 0.00 0.00 0.00 15 I H H 100.89 1.74 15.55 16.76 91.88 49.79 -64.92 -41.07 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 16 V H H 87.58 1.70 15.41 16.57 92.03 49.92 -64.65 -41.55 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 17 M H H 101.97 2.22 14.57 17.11 91.88 50.28 -64.82 -41.07 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 18 M H H 108.04 1.89 14.73 16.59 91.78 50.40 -64.56 -40.86 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 19 T H H 79.75 1.59 15.07 16.04 91.69 50.28 -64.55 -41.07 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 20 L H H 94.56 1.92 14.64 16.50 91.89 50.46 -64.69 -41.36 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 21 I H H 93.00 2.24 14.37 16.92 91.73 50.11 -64.50 -42.44 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 22 V H H 87.07 1.66 14.95 16.17 91.73 49.65 -64.20 -42.18 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 23 I H H 99.53 1.59 14.88 15.93 91.50 49.42 -64.18 -42.07 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 24 Y H H 125.60 2.29 13.99 16.76 91.66 49.99 -64.54 -41.46 0.27 0.00 99.72 0.02 0.01 0.18 99.71 0.07 0.00 0.00 0.00 25 H H H 108.94 2.11 13.95 16.41 92.04 50.17 -64.79 -40.81 0.77 0.00 99.23 0.07 0.04 0.57 99.17 0.15 0.00 0.00 0.00 26 A H H 64.97 1.52 13.97 15.13 92.05 50.02 -64.93 -41.45 1.66 0.01 98.32 0.20 0.12 1.19 98.13 0.34 0.00 0.01 0.00 27 V H H 89.77 1.82 13.25 15.20 92.95 48.68 -66.76 -39.85 3.60 0.05 96.35 0.58 0.38 2.48 95.76 0.76 0.01 0.03 0.01 28 D H H 90.35 2.68 11.75 15.55 93.34 52.42 -68.87 -32.40 8.72 0.09 91.19 1.49 0.99 6.10 89.69 1.63 0.03 0.05 0.03 29 S H H 80.46 1.62 11.99 13.98 94.39 53.80 -74.68 -22.46 21.37 0.17 78.47 2.82 2.56 16.04 75.87 2.47 0.06 0.07 0.09 30 T H H 102.44 1.47 11.85 13.55 98.75 49.12 -94.34 -3.21 40.48 0.57 58.96 9.34 6.80 25.49 54.96 2.78 0.07 0.23 0.32 31 M C C 107.33 4.66 8.62 15.03 111.30 94.29 -88.28 127.99 64.50 1.91 33.59 31.42 19.35 14.15 30.26 3.02 0.03 0.69 1.07 32 S C C 67.53 3.25 10.68 15.41 113.94 -148.08 -93.03 133.10 75.57 1.10 23.33 50.06 16.37 8.48 20.57 3.44 0.00 0.45 0.61 33 P C C 96.05 3.41 9.65 14.73 102.87 -122.60 -68.82 6.83 56.03 0.93 43.04 33.69 9.09 13.66 32.62 9.97 0.01 0.45 0.51 34 K H H 147.83 2.00 10.30 13.34 103.47 75.24 -80.69 6.96 47.15 0.99 51.86 22.88 9.47 15.53 37.98 13.11 0.03 0.47 0.52 35 N H H 106.29 3.43 9.31 14.24 103.58 66.23 -86.22 21.52 44.40 1.22 54.38 23.90 8.44 12.51 39.75 14.19 0.03 0.62 0.55 36 R H H 157.69 3.06 9.45 14.18 103.45 98.27 -82.35 5.75 45.57 1.70 52.73 25.87 8.99 11.50 39.86 12.15 0.04 0.88 0.70 37 T C H 104.55 1.94 10.45 13.31 104.51 62.76 -91.07 14.04 53.52 2.47 44.01 32.90 8.63 12.35 34.00 9.73 0.02 1.41 0.97 38 L C C 103.51 4.50 8.41 14.77 114.09 119.31 -91.75 133.86 62.56 3.57 33.87 39.43 12.86 10.58 26.12 7.70 0.03 2.02 1.26 39 Q C C 132.78 2.29 10.17 14.06 113.97 -145.81 -92.47 129.68 71.79 6.70 21.51 52.42 9.38 9.07 16.91 5.57 0.02 4.56 2.06 40 V C C 101.15 4.30 7.96 14.15 114.08 -155.72 -97.19 131.11 73.28 10.79 15.92 51.30 12.06 9.00 12.49 4.42 0.04 6.89 3.81 41 D C C 116.57 1.69 9.84 12.75 109.90 -140.50 -92.05 110.08 81.48 7.90 10.62 50.74 16.86 13.92 6.83 3.91 0.02 5.01 2.71 42 G C C 57.97 2.12 9.29 12.94 105.84 -102.96 -11.95 22.85 88.88 3.05 8.08 37.79 24.66 27.21 2.70 4.79 0.00 1.70 1.13 43 G C C 55.00 2.26 9.30 13.05 111.54 -77.60 87.71 17.32 87.40 2.48 10.12 34.75 26.38 27.05 2.91 6.53 0.01 1.21 1.18 44 S C C 92.68 1.49 9.41 11.96 107.22 -47.92 -87.43 77.62 82.25 2.83 14.92 33.93 22.79 26.54 5.20 8.76 0.01 1.36 1.41 45 G C C 56.59 2.36 9.93 13.75 105.29 5.69 64.68 8.24 78.19 2.43 19.37 31.34 22.46 25.45 9.37 8.97 0.02 1.16 1.22 46 G C C 47.44 3.93 9.87 15.43 114.47 140.41 -80.82 163.89 69.77 4.46 25.78 41.27 16.59 12.10 17.80 8.09 0.03 2.51 1.62 47 S C C 80.07 3.03 10.25 14.83 112.60 -80.16 -91.08 132.12 55.05 10.26 34.69 39.57 8.22 7.11 27.63 7.47 0.05 7.72 2.22 48 L H H 110.31 4.26 9.12 15.11 109.94 -149.62 -91.90 113.09 33.82 16.83 49.35 23.25 5.83 5.79 39.09 8.65 0.11 15.61 1.67 49 E H H 126.93 3.28 10.34 15.27 109.71 -152.04 -89.52 115.95 23.81 23.37 52.82 16.05 3.73 4.53 41.59 9.43 0.07 23.28 1.33 50 V H H 98.98 4.04 10.02 15.71 110.05 -143.09 -92.35 110.72 21.74 25.56 52.69 14.31 3.31 4.43 41.67 9.28 0.06 25.67 1.27 51 L H H 115.09 3.59 9.81 14.94 104.24 75.13 -89.09 13.89 26.69 24.58 48.73 16.00 4.42 6.63 38.44 9.07 0.11 23.70 1.62 52 F C H 136.17 4.24 9.03 14.91 109.77 63.88 -96.17 85.66 42.14 20.52 37.35 24.74 7.08 10.77 29.43 7.39 0.19 17.85 2.55 53 Q C C 133.97 2.25 10.23 13.87 108.76 142.22 -93.83 87.21 68.62 12.78 18.60 38.27 15.93 13.91 16.14 3.63 0.08 9.61 2.44 54 G C C 41.04 4.04 10.09 15.72 126.05 -117.92 -139.37 174.88 90.28 7.28 2.44 48.29 34.75 7.84 1.10 1.20 0.00 5.33 1.48 55 P C C 105.86 2.59 9.78 13.87 108.48 -69.74 -71.82 139.66 86.93 4.98 8.09 52.06 18.45 17.00 3.30 4.41 0.00 3.41 1.36 56 T C C 101.65 2.40 8.36 12.46 113.67 -151.17 -97.22 130.47 78.34 8.90 12.76 47.79 16.32 14.53 6.05 6.58 0.02 5.67 3.04 57 E C C 145.34 2.09 8.68 12.37 106.67 -142.72 -85.78 57.35 68.43 8.67 22.90 35.91 17.06 16.66 11.38 10.86 0.08 5.51 2.55 58 T C C 106.83 1.88 8.64 11.93 107.78 69.94 -94.41 68.29 68.39 8.28 23.33 35.62 15.75 18.09 11.53 11.17 0.05 5.63 2.16 59 S C C 77.55 3.42 8.01 13.30 113.67 132.09 -94.98 132.43 68.42 10.69 20.90 42.85 13.98 12.30 10.17 10.35 0.04 7.96 2.35 60 Q C C 140.59 1.75 8.77 12.04 111.09 -153.82 -93.36 115.34 68.69 16.37 14.94 41.06 16.28 12.02 7.81 6.84 0.07 12.80 3.12 61 V C C 114.54 2.32 7.32 11.63 115.80 -154.59 -99.03 129.37 70.05 22.84 7.11 47.16 15.49 6.64 4.32 3.15 0.04 17.08 6.12 62 A C C 80.72 2.47 7.23 11.70 117.64 -135.88 -92.38 139.33 84.19 14.91 0.90 66.87 15.37 1.69 0.40 0.51 0.00 12.68 2.47 63 P C C 111.24 1.62 8.69 11.85 112.43 -104.88 -67.48 146.36 92.01 7.22 0.77 89.56 1.08 1.75 0.27 0.30 0.00 5.67 1.36 64 A C C 86.22 2.88 9.66 14.36 109.20 -105.39 -74.84 136.06 99.89 0.10 0.01 99.79 0.10 0.05 0.00 0.00 0.00 0.05 0.01