# 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 110.79 5.23 10.85 17.75 117.08 -134.20 -90.57 136.68 99.98 0.02 0.00 99.88 0.09 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 84.67 4.41 9.44 15.69 112.85 -108.12 -68.36 148.68 92.49 0.37 7.14 89.57 0.57 4.19 2.93 2.36 0.00 0.16 0.22 2 K C C 149.21 2.36 8.78 12.84 108.16 -115.03 -79.25 118.11 82.57 1.36 16.06 61.95 9.58 10.85 6.66 9.32 0.00 0.60 1.04 3 K C C 147.95 2.82 8.67 13.12 103.34 -121.08 -82.70 12.68 74.32 1.51 24.17 42.76 15.45 16.29 7.97 15.87 0.00 0.70 0.94 4 N C C 122.37 2.26 9.52 12.87 102.32 61.60 -85.62 13.21 76.17 1.12 22.71 44.41 15.50 16.30 8.18 14.37 0.00 0.53 0.72 5 E C C 124.71 3.63 9.74 15.19 108.14 99.15 -88.02 102.82 83.15 0.93 15.92 49.28 25.53 8.85 7.79 7.42 0.00 0.34 0.80 6 A C C 73.50 3.43 11.96 16.88 115.58 -106.55 -83.83 142.80 93.29 0.54 6.17 61.97 27.94 3.61 3.50 2.38 0.00 0.19 0.41 7 P C C 77.41 7.51 11.47 20.42 110.62 -103.18 -69.19 146.95 87.99 0.98 11.04 68.06 11.18 8.92 5.88 4.87 0.00 0.46 0.63 8 A C C 52.22 8.33 11.53 21.30 110.91 -115.17 -79.10 139.67 88.76 1.46 9.79 67.49 14.97 6.27 5.48 4.13 0.00 0.61 1.06 9 S C C 56.63 3.90 17.13 21.36 116.28 -118.68 -82.82 162.49 90.87 2.10 7.03 74.81 13.70 1.81 6.44 1.02 0.00 0.63 1.58 10 F H H 84.14 12.50 11.92 24.70 93.64 -106.89 -61.84 -39.48 4.28 0.02 95.70 1.07 0.96 2.18 95.24 0.52 0.00 0.01 0.01 11 E H H 128.58 2.39 16.94 19.64 91.94 51.99 -64.05 -41.09 2.63 0.01 97.36 0.44 0.36 1.70 96.97 0.51 0.00 0.00 0.00 12 K H H 115.89 2.29 18.58 20.36 92.22 48.44 -65.90 -40.58 1.28 0.01 98.71 0.43 0.18 0.70 98.21 0.48 0.00 0.00 0.01 13 A H H 17.60 12.87 14.21 28.64 91.92 50.75 -63.64 -42.35 0.52 0.00 99.48 0.18 0.04 0.24 99.41 0.14 0.00 0.00 0.00 14 L H H 55.73 9.97 17.29 28.29 91.55 50.51 -63.51 -41.22 0.26 0.00 99.74 0.04 0.01 0.15 99.73 0.06 0.00 0.00 0.00 15 S H H 58.32 2.15 21.41 22.14 91.34 50.68 -63.67 -41.37 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 16 E H H 83.47 5.94 20.01 26.61 91.88 49.94 -64.68 -41.01 0.25 0.00 99.75 0.02 0.01 0.16 99.78 0.04 0.00 0.00 0.00 17 L H H 27.32 17.09 15.64 33.05 91.72 50.86 -63.75 -41.64 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 18 E H H 99.12 4.97 20.82 26.26 91.49 51.02 -63.26 -40.76 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 19 Q H H 105.01 2.00 22.32 22.76 91.79 50.07 -64.56 -41.39 0.18 0.00 99.82 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 20 I H H 30.31 12.56 17.39 31.25 91.79 49.18 -64.05 -42.63 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.02 0.00 0.00 0.00 21 V H H 37.40 12.51 17.02 30.41 91.39 50.60 -62.77 -42.23 0.21 0.00 99.79 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 22 T H H 74.31 2.05 20.85 21.48 91.35 50.40 -63.57 -42.07 0.55 0.00 99.45 0.05 0.03 0.40 99.42 0.11 0.00 0.00 0.00 23 R H H 106.64 4.07 18.11 22.79 91.88 49.51 -65.03 -41.06 0.99 0.00 99.01 0.09 0.07 0.72 98.83 0.28 0.00 0.00 0.00 24 L H H 35.07 14.81 12.13 27.36 92.02 50.48 -65.24 -40.21 2.28 0.01 97.71 0.24 0.20 1.74 97.07 0.74 0.01 0.00 0.00 25 E H H 125.17 3.97 15.30 20.58 91.71 52.21 -67.82 -29.71 8.96 0.02 91.02 0.44 0.58 7.78 90.38 0.78 0.01 0.01 0.01 26 S H H 81.20 1.33 14.86 15.38 94.43 53.24 -85.08 -9.73 43.62 0.10 56.28 2.22 5.30 34.48 56.66 1.19 0.04 0.03 0.08 27 G C T 51.54 4.37 11.49 17.61 98.13 -115.72 78.71 9.27 98.75 0.25 1.00 16.44 40.05 42.40 0.32 0.54 0.00 0.12 0.13 28 D C C 118.07 1.21 14.92 15.72 100.13 121.87 -92.26 28.84 98.92 0.76 0.32 68.35 26.06 4.55 0.09 0.23 0.00 0.41 0.30 29 L C C 47.85 12.52 7.35 20.13 120.79 108.49 -98.75 140.41 98.37 1.56 0.07 59.58 39.00 0.22 0.03 0.02 0.00 0.68 0.46 30 P C C 75.42 2.14 16.70 18.41 114.73 -107.57 -65.29 152.16 98.53 1.28 0.19 97.87 0.84 0.12 0.11 0.03 0.00 0.48 0.56 31 L H H 107.34 5.44 11.30 18.57 92.03 -110.42 -57.48 -39.03 3.43 0.01 96.56 0.62 0.60 2.02 95.43 1.31 0.00 0.00 0.00 32 E H H 140.26 1.08 15.68 15.78 91.65 52.79 -64.30 -39.34 1.90 0.01 98.09 0.24 0.18 1.30 96.91 1.37 0.00 0.00 0.00 33 E H H 100.18 3.14 15.69 19.48 92.10 47.75 -66.72 -38.89 1.16 0.01 98.84 0.22 0.11 0.69 97.29 1.69 0.00 0.00 0.00 34 A H H 23.66 10.99 12.17 24.92 91.78 52.08 -63.68 -41.86 1.05 0.00 98.95 0.24 0.10 0.56 98.59 0.50 0.00 0.00 0.00 35 L H H 84.11 3.58 17.67 21.68 91.46 50.50 -63.76 -41.19 1.54 0.00 98.46 0.21 0.12 1.00 98.36 0.31 0.00 0.00 0.00 36 N H H 86.57 2.01 19.50 20.36 91.93 50.06 -64.44 -41.51 1.59 0.00 98.41 0.17 0.09 1.11 98.34 0.29 0.00 0.00 0.00 37 E H H 65.49 8.72 16.79 26.72 91.81 50.50 -64.50 -41.34 1.04 0.00 98.96 0.10 0.07 0.73 98.89 0.21 0.00 0.00 0.00 38 F H H 81.52 9.53 17.15 27.53 91.87 50.09 -64.14 -41.52 0.83 0.00 99.17 0.14 0.07 0.52 99.14 0.14 0.00 0.00 0.00 39 E H H 108.35 2.45 21.53 22.93 91.79 50.16 -64.28 -42.02 0.29 0.00 99.71 0.04 0.02 0.16 99.74 0.04 0.00 0.00 0.00 40 R H H 120.71 3.24 21.19 24.11 91.81 49.09 -64.79 -41.50 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 41 G H H 13.30 12.47 16.02 29.92 91.81 51.64 -63.17 -42.05 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 42 V H H 66.89 5.71 20.52 26.72 91.58 49.87 -63.93 -41.52 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 43 Q H H 100.45 2.12 23.18 23.58 91.52 49.73 -63.74 -42.17 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 44 L H H 54.85 8.30 19.36 28.62 91.78 49.35 -64.26 -41.98 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 45 A H H 31.59 11.64 17.42 29.93 91.66 51.02 -63.34 -41.92 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 46 R H H 140.34 2.27 22.76 24.03 91.67 49.53 -64.16 -41.29 0.15 0.00 99.84 0.01 0.01 0.10 99.85 0.02 0.00 0.00 0.00 47 Q H H 93.98 3.00 22.17 24.35 91.62 49.07 -64.51 -41.60 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 48 G H H 13.89 12.28 16.04 29.73 91.73 50.99 -63.57 -41.75 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 49 Q H H 87.87 5.94 19.95 26.57 91.47 50.89 -63.77 -40.94 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 50 A H H 56.25 2.18 21.03 21.90 91.44 50.32 -63.72 -41.90 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 51 K H H 95.38 5.45 19.16 25.12 91.93 49.60 -64.83 -41.41 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.04 0.00 0.00 0.00 52 L H H 57.18 10.30 16.16 27.27 91.84 50.04 -64.24 -41.45 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 53 Q H H 102.06 2.62 19.95 22.10 91.56 50.03 -63.96 -41.27 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 54 Q H H 99.93 2.09 19.87 20.86 91.76 49.64 -64.60 -41.09 0.36 0.00 99.64 0.04 0.02 0.22 99.68 0.05 0.00 0.00 0.00 55 A H H 32.70 7.32 15.88 25.04 91.85 50.71 -64.08 -41.49 0.45 0.00 99.55 0.05 0.02 0.26 99.60 0.06 0.00 0.00 0.00 56 E H H 88.87 5.64 17.35 23.92 91.78 51.42 -63.77 -40.45 0.76 0.00 99.24 0.11 0.05 0.43 99.34 0.08 0.00 0.00 0.00 57 Q H H 101.71 2.08 18.48 19.83 91.93 50.68 -64.94 -40.71 0.97 0.00 99.03 0.15 0.06 0.55 99.14 0.10 0.00 0.00 0.00 58 R H H 128.77 2.85 17.63 20.54 92.12 50.45 -65.18 -40.83 0.85 0.00 99.15 0.18 0.07 0.44 99.12 0.19 0.00 0.00 0.00 59 V H H 60.32 6.39 14.91 22.65 92.19 49.82 -65.20 -41.67 0.75 0.01 99.24 0.20 0.06 0.39 99.04 0.31 0.00 0.00 0.00 60 Q H H 94.64 3.39 15.76 19.88 91.94 51.39 -64.06 -40.28 0.98 0.01 99.01 0.21 0.08 0.59 98.45 0.67 0.00 0.01 0.00 61 I H H 95.18 2.12 15.18 17.28 92.23 50.51 -64.99 -41.01 2.07 0.03 97.91 0.33 0.17 1.44 96.99 1.05 0.00 0.01 0.00 62 L H H 94.51 3.08 13.77 17.69 92.74 50.59 -67.20 -37.52 5.62 0.04 94.34 0.75 0.52 4.11 93.47 1.10 0.01 0.02 0.01 63 L H H 92.29 4.36 11.49 17.22 95.99 49.10 -79.50 -21.48 23.77 0.28 75.96 4.79 3.43 15.72 74.13 1.61 0.05 0.10 0.16 64 S C H 67.94 3.66 10.38 15.56 102.58 74.49 -79.84 -10.28 52.08 0.69 47.23 18.55 8.54 25.25 44.52 2.45 0.03 0.25 0.40 65 D C T 122.49 1.24 11.57 12.87 98.47 46.65 -83.23 -2.51 74.00 0.69 25.32 24.74 17.26 32.23 21.48 3.56 0.01 0.24 0.47 66 N C C 90.62 4.09 8.52 14.40 110.00 87.07 -98.41 101.35 86.02 0.86 13.11 47.70 20.64 17.88 8.08 4.62 0.00 0.30 0.79 67 E C T 156.49 1.49 9.61 12.34 96.26 -159.44 -69.98 -18.62 88.16 0.46 11.38 18.58 21.76 48.27 3.36 7.46 0.00 0.21 0.35 68 D C T 127.84 0.71 11.15 11.20 97.00 57.24 -88.20 1.40 90.07 0.60 9.34 23.86 20.77 45.73 2.15 6.82 0.00 0.27 0.40 69 A C C 53.13 7.04 6.98 15.52 114.50 102.63 -86.48 140.97 90.66 1.24 8.10 50.76 30.69 9.28 2.04 5.80 0.00 0.53 0.90 70 S C C 85.39 1.65 13.16 15.23 112.61 -128.13 -81.89 137.67 94.74 1.57 3.68 79.12 9.00 6.55 0.94 2.72 0.00 0.88 0.80 71 L C C 104.53 7.28 8.39 17.11 111.30 -135.43 -87.66 124.04 94.62 3.71 1.67 78.62 13.15 2.44 0.54 1.15 0.00 1.67 2.41 72 T C C 89.37 2.87 12.48 16.90 119.61 -161.79 -107.77 137.07 96.92 2.83 0.24 80.79 15.77 0.56 0.08 0.15 0.00 1.49 1.16 73 P C C 98.05 3.56 12.11 17.36 111.88 -107.60 -65.96 145.27 96.83 2.19 0.98 73.03 18.62 5.15 0.21 0.88 0.00 1.19 0.93 74 F C C 114.84 8.05 8.17 17.43 113.88 -115.69 -84.00 131.74 96.82 2.19 1.00 73.91 18.66 3.73 0.25 0.81 0.00 0.80 1.84 75 T C C 77.61 3.36 10.84 15.92 117.88 -161.35 -108.16 133.02 98.83 0.81 0.36 85.23 12.93 0.63 0.12 0.21 0.00 0.30 0.58 76 P C T 97.93 3.55 8.79 14.21 95.36 -119.68 -62.44 -26.54 72.70 0.63 26.67 25.52 9.50 36.13 2.37 25.85 0.00 0.33 0.30 77 D C T 121.29 1.20 9.39 11.29 98.55 58.59 -80.68 -0.76 70.98 0.71 28.31 18.73 10.42 41.21 2.60 26.31 0.00 0.36 0.37 78 N C C 111.49 2.97 7.71 12.27 101.90 75.99 -84.68 18.65 71.67 1.10 27.23 50.25 5.44 14.45 2.74 26.07 0.00 0.58 0.47 79 E C C 135.12 2.97 9.86 14.61 107.08 122.50 -83.16 92.12 99.82 0.06 0.12 99.57 0.20 0.14 0.04 0.02 0.00 0.02 0.01