# 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 E C C 127.83 3.91 12.41 17.85 110.62 -152.20 -86.29 126.66 99.85 0.05 0.10 99.59 0.15 0.16 0.06 0.01 0.00 0.02 0.01 1 G C C 50.07 3.59 10.08 15.23 110.70 -139.66 -84.21 143.85 89.02 0.50 10.48 76.87 2.66 9.15 9.59 1.18 0.00 0.21 0.36 2 N C C 92.34 4.62 8.80 15.04 107.80 -108.09 -87.39 101.20 81.71 0.52 17.77 60.14 11.92 7.84 17.85 1.72 0.00 0.19 0.34 3 T H H 94.27 1.97 10.96 13.83 95.89 -148.08 -67.27 -32.52 23.85 0.30 75.86 9.80 4.60 10.66 69.15 5.47 0.03 0.14 0.15 4 R H H 140.45 2.71 12.20 15.87 93.07 54.62 -67.32 -38.39 15.25 0.18 84.57 3.47 2.29 9.94 77.77 6.29 0.06 0.10 0.09 5 L H H 69.47 6.71 11.09 19.33 92.69 50.24 -66.58 -38.46 9.96 0.14 89.90 2.91 1.54 5.87 82.99 6.53 0.03 0.08 0.05 6 Q H H 97.31 3.51 13.32 18.14 92.08 54.49 -64.22 -39.84 5.01 0.07 94.92 2.11 0.80 2.31 91.39 3.33 0.00 0.04 0.02 7 K H H 124.02 1.81 14.72 16.40 92.68 51.60 -65.89 -39.88 5.65 0.09 94.26 1.64 0.76 3.40 90.41 3.69 0.01 0.06 0.03 8 V H H 72.42 4.05 13.46 18.79 92.88 49.74 -65.84 -41.58 4.26 0.08 95.66 1.16 0.57 2.58 91.96 3.65 0.01 0.05 0.02 9 V H H 70.06 5.49 12.37 19.51 92.41 50.32 -65.55 -39.64 4.27 0.07 95.66 1.12 0.57 2.53 89.36 6.34 0.01 0.05 0.02 10 S H H 70.11 2.64 13.05 16.74 92.18 55.11 -66.59 -29.90 14.22 0.07 85.71 1.35 0.88 11.14 74.53 12.02 0.02 0.04 0.03 11 F H H 147.45 1.93 12.68 15.17 93.39 56.47 -75.46 -20.04 34.26 0.12 65.62 2.30 2.28 28.68 56.98 9.57 0.06 0.06 0.08 12 F C H 128.49 4.45 10.61 16.42 99.99 54.98 -90.64 -3.25 51.16 0.94 47.90 11.30 9.66 31.59 38.98 7.28 0.14 0.40 0.64 13 V C C 83.19 5.60 9.63 17.17 114.45 102.40 -89.31 127.43 88.74 1.01 10.25 44.96 40.12 3.57 8.90 1.49 0.00 0.35 0.60 14 P C C 79.50 4.91 9.94 16.85 113.04 -117.44 -67.33 148.15 85.97 0.90 13.14 78.99 3.91 3.86 9.54 2.82 0.00 0.47 0.40 15 E C C 146.96 1.95 10.96 14.24 107.00 -105.66 -74.98 124.78 81.51 1.46 17.03 72.91 4.94 4.34 12.16 4.22 0.00 0.77 0.67 16 V C C 96.65 4.86 8.27 14.92 112.81 -142.19 -91.17 133.09 78.65 1.87 19.48 69.60 5.46 3.96 15.52 3.71 0.00 1.01 0.74 17 E C C 134.52 2.43 10.08 14.06 111.86 -139.19 -88.14 127.16 79.51 1.55 18.93 71.55 4.36 3.75 16.20 2.74 0.00 0.87 0.52 18 K C C 128.35 4.20 8.99 15.08 109.72 -136.97 -84.88 124.29 78.89 1.23 19.87 70.62 4.19 3.79 18.11 2.21 0.00 0.66 0.42 19 K C C 118.89 3.03 10.19 14.65 111.45 -154.66 -86.42 153.61 76.06 0.68 23.26 67.85 3.59 3.51 22.95 1.53 0.00 0.33 0.24 20 E H H 134.40 1.51 11.33 13.26 94.65 -98.69 -65.18 -38.78 25.59 0.25 74.15 19.01 3.16 3.88 72.08 1.67 0.00 0.11 0.09 21 E H H 120.72 1.68 12.19 14.22 92.98 51.72 -65.71 -39.45 13.44 0.11 86.45 8.05 1.68 3.87 84.48 1.82 0.00 0.05 0.04 22 E H H 93.44 4.09 11.65 17.31 92.78 50.86 -66.22 -39.20 9.18 0.10 90.72 5.61 1.10 2.83 88.40 1.97 0.00 0.05 0.03 23 E H H 105.30 2.74 13.70 17.33 92.35 51.26 -65.16 -40.45 4.85 0.06 95.08 3.05 0.61 1.38 93.96 0.96 0.00 0.03 0.02 24 K H H 120.44 1.65 15.60 16.67 92.22 50.17 -65.33 -40.76 3.07 0.04 96.89 1.82 0.36 1.00 96.28 0.52 0.00 0.02 0.01 25 L H H 81.58 3.19 15.14 19.05 92.29 49.91 -65.01 -41.48 1.58 0.02 98.41 0.77 0.17 0.59 98.16 0.29 0.00 0.01 0.00 26 A H H 45.30 4.26 14.51 20.27 91.99 50.81 -63.70 -41.48 1.16 0.01 98.83 0.50 0.11 0.47 98.68 0.22 0.00 0.00 0.00 27 T H H 73.53 2.18 16.64 18.52 92.01 50.12 -64.63 -41.53 1.04 0.01 98.95 0.41 0.10 0.46 98.83 0.20 0.00 0.00 0.00 28 Q H H 95.62 2.23 16.49 18.47 92.07 50.06 -64.77 -41.45 1.12 0.01 98.87 0.37 0.11 0.55 98.77 0.19 0.00 0.00 0.00 29 Y H H 109.06 3.87 14.95 19.85 92.12 49.98 -64.70 -41.46 1.29 0.01 98.71 0.41 0.12 0.65 98.63 0.18 0.00 0.00 0.00 30 K H H 110.14 2.70 15.79 18.84 91.93 51.03 -64.47 -40.64 1.44 0.01 98.55 0.52 0.14 0.69 98.50 0.16 0.00 0.00 0.00 31 R H H 142.26 1.53 16.52 17.17 91.90 50.20 -64.84 -41.19 0.98 0.00 99.02 0.29 0.09 0.50 99.00 0.12 0.00 0.00 0.00 32 W H H 138.28 2.82 15.91 19.11 92.09 49.34 -65.17 -41.26 0.76 0.00 99.24 0.24 0.06 0.35 99.25 0.09 0.00 0.00 0.00 33 K H H 99.45 4.85 15.45 21.17 91.84 51.12 -64.10 -41.34 0.63 0.00 99.37 0.20 0.05 0.28 99.40 0.07 0.00 0.00 0.00 34 V H H 81.92 2.42 16.87 19.20 91.88 50.13 -64.38 -41.35 0.38 0.00 99.61 0.09 0.03 0.19 99.64 0.05 0.00 0.00 0.00 35 A H H 57.31 2.28 17.14 19.13 91.76 50.20 -64.38 -41.42 0.27 0.00 99.73 0.05 0.02 0.14 99.74 0.04 0.00 0.00 0.00 36 Q H H 87.46 4.35 16.64 21.74 92.16 49.70 -65.05 -41.37 0.25 0.00 99.75 0.04 0.01 0.13 99.77 0.04 0.00 0.00 0.00 37 V H H 65.58 4.92 16.17 22.09 91.82 50.01 -63.81 -42.17 0.22 0.00 99.78 0.04 0.01 0.12 99.80 0.03 0.00 0.00 0.00 38 H H H 112.26 1.90 18.46 19.38 91.91 49.57 -64.45 -41.01 0.21 0.00 99.79 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 39 A H H 49.28 3.43 17.00 21.14 91.61 50.65 -63.78 -41.74 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.02 0.00 0.00 0.00 40 W H H 109.07 6.72 16.29 23.71 91.96 49.93 -64.35 -41.56 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 41 N H H 83.63 3.66 17.41 21.45 91.58 50.86 -63.80 -41.17 0.15 0.00 99.85 0.02 0.00 0.09 99.87 0.02 0.00 0.00 0.00 42 H H H 115.84 1.79 18.54 19.22 91.97 49.56 -64.68 -41.25 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 43 D H H 68.13 4.72 17.21 22.68 91.96 50.22 -64.86 -41.18 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 44 I H H 67.38 6.81 16.49 24.04 91.80 49.73 -64.40 -41.33 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 45 A H H 52.49 2.94 18.06 21.10 91.47 50.87 -63.11 -41.56 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 46 V H H 72.05 3.15 18.01 21.35 91.76 49.99 -64.19 -42.04 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.01 0.00 0.00 0.00 47 K H H 87.83 6.95 16.84 24.40 91.99 50.50 -64.41 -41.36 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 48 H H H 92.98 5.25 17.37 23.00 91.93 50.32 -64.25 -41.36 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 49 R H H 141.12 1.77 19.24 19.97 91.68 50.00 -64.24 -41.00 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 50 L H H 72.28 4.92 17.14 23.01 91.84 50.34 -64.62 -41.20 0.26 0.00 99.74 0.02 0.01 0.16 99.77 0.03 0.00 0.00 0.00 51 Q H H 71.16 9.36 16.05 26.07 91.75 51.42 -63.79 -40.72 0.28 0.00 99.72 0.03 0.01 0.17 99.75 0.03 0.00 0.00 0.00 52 T H H 71.97 3.88 18.17 22.30 91.97 50.13 -64.44 -41.53 0.25 0.00 99.75 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 53 E H H 108.82 1.87 19.32 19.91 91.94 49.85 -64.79 -41.70 0.27 0.00 99.73 0.02 0.02 0.19 99.69 0.08 0.00 0.00 0.00 54 A H H 37.24 7.08 15.46 23.99 92.12 50.51 -64.56 -41.67 0.61 0.00 99.38 0.05 0.03 0.46 99.13 0.33 0.00 0.00 0.00 55 I H H 58.05 10.74 13.70 25.37 92.04 50.68 -65.11 -38.36 1.40 0.00 98.59 0.08 0.08 1.16 97.36 1.31 0.00 0.00 0.00 56 A H H 79.71 2.13 16.27 18.77 90.92 56.19 -67.55 -24.78 13.09 0.01 86.90 0.29 0.40 12.74 85.35 1.21 0.01 0.00 0.01 57 S C T 84.57 1.63 15.28 16.60 93.43 56.69 -86.41 -7.59 55.08 0.04 44.89 1.65 2.78 48.85 44.97 1.70 0.01 0.01 0.04 58 L C S 44.65 14.29 6.33 20.06 121.72 100.18 -79.87 150.88 99.77 0.11 0.12 13.11 86.37 0.34 0.08 0.01 0.00 0.02 0.07 59 P C C 74.82 2.56 14.53 17.63 114.90 -100.50 -62.97 149.38 99.78 0.08 0.15 99.45 0.31 0.08 0.09 0.01 0.00 0.02 0.04 60 Q H H 137.05 2.04 11.78 15.19 91.75 -109.88 -57.36 -38.24 2.97 0.00 97.02 0.38 0.38 1.98 96.32 0.95 0.00 0.00 0.00 61 R H H 160.99 1.24 14.33 15.08 91.64 53.44 -64.90 -38.52 2.32 0.00 97.68 0.17 0.17 1.88 96.43 1.34 0.00 0.00 0.00 62 L H H 59.74 8.03 11.95 21.42 93.13 48.41 -67.77 -39.54 0.85 0.00 99.15 0.11 0.06 0.59 97.82 1.41 0.00 0.00 0.00 63 K H H 84.32 8.26 12.80 22.42 91.74 52.19 -63.09 -41.59 0.26 0.00 99.74 0.03 0.02 0.16 99.26 0.53 0.00 0.00 0.00 64 E H H 118.99 1.52 17.50 17.86 92.09 49.90 -65.25 -40.18 0.62 0.00 99.38 0.04 0.03 0.49 98.15 1.29 0.00 0.00 0.00 65 Q H H 90.26 3.97 15.96 20.74 92.06 49.85 -66.81 -35.32 1.45 0.00 98.55 0.05 0.06 1.30 96.33 2.26 0.00 0.00 0.00 66 A H H 29.31 13.74 11.20 25.64 91.98 56.57 -69.53 -25.05 13.96 0.02 86.02 0.42 0.53 13.16 83.52 2.34 0.01 0.00 0.01 67 L C T 103.15 5.22 15.03 21.36 95.07 57.03 -87.99 -4.53 62.23 0.40 37.37 3.89 3.64 52.87 36.03 3.10 0.03 0.16 0.28 68 K C S 124.33 3.08 14.18 18.82 117.09 107.46 -81.16 138.23 99.02 0.72 0.26 35.09 63.59 0.53 0.18 0.06 0.00 0.24 0.32 69 P C C 100.15 4.12 11.87 18.17 113.45 -107.13 -66.36 141.12 97.41 2.20 0.39 94.32 2.48 0.74 0.16 0.15 0.00 0.86 1.30 70 D C C 70.11 9.80 8.32 18.96 112.77 -141.49 -95.57 122.01 97.00 2.62 0.38 92.26 3.68 0.87 0.13 0.18 0.00 0.91 1.97 71 Y C C 192.50 1.20 12.28 13.79 97.95 -169.13 -96.68 -1.09 98.78 0.89 0.33 53.18 42.57 3.08 0.08 0.23 0.00 0.36 0.50 72 S C S 68.97 3.02 9.94 14.83 118.08 99.19 -83.73 146.20 99.14 0.75 0.11 24.50 73.54 1.25 0.02 0.07 0.00 0.32 0.31 73 P C C 109.09 1.81 12.21 14.99 114.22 -102.55 -67.53 147.04 99.10 0.79 0.11 80.39 17.97 0.74 0.03 0.07 0.00 0.32 0.48 74 I C C 90.39 9.60 7.22 17.58 115.34 -106.86 -75.70 141.86 98.90 1.03 0.07 88.15 10.54 0.23 0.02 0.03 0.00 0.38 0.63 75 P C C 73.88 4.51 10.15 16.42 113.27 -104.78 -67.12 146.24 98.47 1.06 0.46 94.88 2.55 1.00 0.11 0.28 0.00 0.38 0.80 76 L C T 142.20 1.40 9.80 12.25 95.06 -130.62 -67.26 -23.46 93.95 0.81 5.24 13.86 24.78 55.19 0.78 4.51 0.00 0.40 0.49 77 N C T 134.20 0.82 10.57 11.12 100.48 54.56 -95.21 12.57 92.31 1.65 6.03 20.57 18.30 53.38 1.03 5.07 0.00 0.90 0.74 78 R C C 126.72 6.73 6.65 14.80 115.44 123.43 -88.45 132.97 88.40 4.84 6.76 70.95 11.91 4.93 1.85 5.23 0.00 2.51 2.62 79 K C C 154.14 1.68 11.06 13.82 119.29 -166.26 -111.95 141.30 85.51 7.72 6.77 71.28 8.99 4.83 2.81 3.92 0.00 4.27 3.90 80 L C C 110.03 4.68 8.98 15.32 117.79 -122.22 -85.88 142.25 74.42 7.81 17.77 53.77 11.87 8.65 5.04 13.05 0.01 5.23 2.40 81 L C C 118.35 3.91 9.79 14.94 100.73 -107.03 -75.72 9.11 69.63 9.01 21.36 40.77 13.34 16.20 4.93 16.35 0.04 5.95 2.43 82 F C C 130.48 4.29 9.00 14.95 118.30 76.29 -106.04 139.88 66.16 13.73 20.11 37.69 13.64 15.78 5.16 14.68 0.11 8.47 4.48 83 H C C 148.75 2.47 10.94 14.42 99.68 -144.15 -84.85 -16.17 79.11 10.48 10.41 41.36 27.39 11.37 3.30 6.61 0.05 6.28 3.64 84 T C C 92.98 3.10 11.15 15.44 118.97 45.67 -118.25 129.72 94.07 5.33 0.61 47.15 45.88 1.76 0.20 0.35 0.00 2.62 2.05 85 P C C 75.79 6.67 9.08 17.47 117.38 -111.14 -69.26 150.35 99.36 0.55 0.09 91.00 7.99 0.44 0.03 0.05 0.00 0.29 0.21 86 P C C 76.45 5.48 9.43 16.81 112.76 -103.97 -65.74 149.99 98.61 0.42 0.97 92.04 3.79 2.87 0.21 0.65 0.00 0.20 0.24 87 E C C 160.72 1.14 10.89 12.45 103.51 -109.77 -71.88 21.43 95.71 0.70 3.59 42.57 15.75 37.00 0.47 3.52 0.00 0.36 0.34 88 S C C 87.54 1.91 9.62 12.43 104.75 38.43 -95.23 38.39 94.59 1.39 4.02 41.28 13.38 39.67 0.52 3.85 0.00 0.80 0.50 89 Y C C 129.53 6.77 6.20 14.10 114.47 124.47 -89.50 129.97 88.55 5.95 5.49 74.12 8.26 5.65 1.24 4.57 0.00 3.36 2.80 90 R C C 172.92 1.89 8.95 12.31 112.50 -153.41 -94.60 126.31 93.47 4.38 2.15 89.40 1.44 3.33 0.70 0.94 0.00 2.66 1.52 91 D C C 114.03 2.58 10.38 14.69 108.52 -127.09 -81.45 117.51 99.91 0.07 0.02 99.64 0.18 0.11 0.01 0.00 0.00 0.04 0.01