# 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 V C C 98.81 5.58 10.53 17.81 116.46 -161.41 -100.81 130.66 99.75 0.23 0.02 99.69 0.12 0.04 0.01 0.00 0.00 0.12 0.03 1 S C C 84.10 2.65 9.24 13.83 117.37 -157.97 -101.93 139.38 91.17 6.27 2.56 84.62 1.48 5.54 0.86 1.24 0.00 4.32 1.96 2 S C C 83.92 2.92 9.01 13.71 117.29 -152.60 -100.96 147.28 89.60 6.99 3.41 51.84 22.02 16.03 0.74 2.76 0.00 4.99 1.61 3 S C C 83.27 3.21 9.09 14.21 116.52 -133.72 -99.86 134.91 86.15 9.64 4.20 57.72 20.11 8.41 1.21 3.14 0.00 6.76 2.64 4 I C C 109.32 4.92 9.18 15.94 117.26 -156.28 -105.07 134.17 85.93 10.65 3.41 63.03 18.28 4.59 1.54 1.95 0.00 7.44 3.17 5 T C C 95.84 3.74 10.70 16.23 114.07 -137.73 -91.46 131.38 87.15 9.26 3.59 65.23 17.41 4.23 1.92 1.77 0.00 5.90 3.54 6 A C C 58.37 6.85 9.30 17.73 118.28 -139.59 -94.93 144.91 91.92 5.02 3.06 67.07 21.63 3.25 1.59 1.49 0.00 2.84 2.14 7 P C C 92.54 4.54 10.55 16.74 104.31 -102.53 -66.00 122.33 81.89 3.30 14.80 44.33 12.04 25.55 3.10 11.78 0.00 1.92 1.28 8 E C T 147.67 2.25 11.71 15.01 103.71 -58.53 -81.98 46.96 83.88 2.10 14.01 14.75 15.16 53.83 2.59 11.37 0.01 1.20 1.08 9 G C T 45.96 4.89 12.92 19.07 105.70 -35.46 89.18 0.83 85.14 3.98 10.88 22.83 20.07 42.86 1.63 8.92 0.01 2.38 1.29 10 I C C 76.77 10.32 10.24 21.40 115.27 118.81 -93.34 126.25 77.21 18.02 4.77 54.52 14.13 7.74 1.72 3.22 0.01 9.86 8.82 11 I C C 99.25 6.20 14.66 22.09 110.48 -168.22 -97.82 97.08 79.05 17.30 3.65 48.06 23.81 7.70 1.53 2.18 0.02 10.40 6.30 12 N C S 89.46 7.75 15.15 23.90 112.49 31.65 -112.71 104.35 93.70 6.06 0.24 45.70 47.79 1.12 0.08 0.14 0.00 3.91 1.25 13 P C C 44.82 11.07 13.51 25.88 116.91 -133.31 -69.43 152.94 98.51 1.33 0.16 88.95 9.24 0.47 0.08 0.06 0.00 0.84 0.36 14 P C C 60.89 5.57 18.69 25.18 110.27 -101.69 -65.85 141.77 95.03 3.52 1.45 92.98 1.59 0.64 1.20 0.20 0.00 1.14 2.26 15 I H H 52.04 16.42 12.01 28.10 93.53 -124.32 -61.49 -38.13 5.42 0.06 94.52 2.33 1.19 2.34 92.37 1.70 0.01 0.02 0.03 16 D H H 94.38 3.64 16.98 21.63 92.09 54.99 -63.95 -39.41 2.30 0.03 97.66 0.58 0.29 1.37 95.60 2.12 0.01 0.02 0.01 17 E H H 105.85 2.29 18.02 19.81 92.18 49.21 -66.78 -39.43 1.26 0.03 98.72 0.32 0.15 0.74 96.31 2.47 0.00 0.02 0.00 18 L H H 25.97 14.25 12.56 27.81 92.35 51.45 -65.32 -41.01 1.36 0.03 98.61 0.34 0.19 0.79 96.79 1.86 0.00 0.02 0.00 19 L H H 52.90 12.18 12.52 25.51 91.81 52.65 -65.91 -34.67 3.75 0.07 96.18 0.81 0.42 2.53 93.22 2.93 0.02 0.05 0.02 20 E H H 150.66 0.97 17.44 16.95 92.07 53.20 -69.69 -27.90 11.50 0.07 88.44 0.90 0.86 9.83 85.84 2.46 0.04 0.03 0.03 21 A H H 69.46 3.79 14.72 19.46 96.69 46.16 -84.32 -25.80 21.04 0.12 78.83 1.40 2.52 17.35 76.90 1.63 0.07 0.04 0.08 22 T C C 36.28 13.08 8.88 22.25 129.95 39.37 -128.99 152.68 77.14 0.80 22.06 48.23 15.61 10.53 23.55 1.17 0.00 0.22 0.70 23 D C S 130.69 0.78 16.55 15.93 95.44 -139.78 -77.76 -12.53 99.11 0.26 0.63 25.01 67.49 6.68 0.40 0.17 0.00 0.11 0.13 24 S C S 45.29 5.70 16.79 23.78 132.08 41.39 -133.85 154.48 97.17 1.25 1.58 32.41 62.98 1.59 1.40 0.24 0.00 0.30 1.08 25 K H H 93.08 13.40 15.26 28.47 92.70 -124.90 -62.69 -36.43 2.23 0.01 97.76 0.33 0.44 1.27 97.60 0.35 0.00 0.00 0.00 26 Y H H 120.62 7.26 19.79 27.63 91.77 54.79 -63.86 -41.12 1.26 0.00 98.74 0.14 0.11 0.90 98.47 0.38 0.00 0.00 0.00 27 S H H 36.80 7.09 21.40 29.53 91.57 49.96 -64.87 -41.14 0.29 0.00 99.71 0.06 0.02 0.17 99.48 0.26 0.00 0.00 0.00 28 L H H 16.15 18.37 18.44 37.06 91.41 51.57 -63.33 -43.05 0.06 0.00 99.94 0.01 0.00 0.03 99.92 0.03 0.00 0.00 0.00 29 V H H 29.88 16.01 21.71 37.39 91.58 49.71 -64.03 -42.77 0.04 0.00 99.96 0.01 0.00 0.03 99.96 0.01 0.00 0.00 0.00 30 I H H 74.88 6.23 25.71 32.13 91.47 49.94 -63.64 -42.72 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 31 Y H H 60.33 10.80 24.69 36.03 91.65 48.83 -63.98 -42.82 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 32 A H H 8.74 19.84 21.12 41.09 91.38 50.59 -63.97 -42.70 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 33 A H H 27.67 12.25 23.06 35.67 91.54 51.49 -63.39 -42.22 0.12 0.00 99.88 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 34 K H H 102.23 4.24 26.83 31.17 91.57 49.82 -64.30 -42.05 0.18 0.00 99.82 0.01 0.01 0.12 99.86 0.01 0.00 0.00 0.00 35 R H H 57.50 13.18 23.19 36.28 92.03 49.67 -64.99 -41.38 0.15 0.00 99.85 0.01 0.01 0.09 99.88 0.01 0.00 0.00 0.00 36 A H H 13.12 18.52 18.70 37.41 91.57 51.99 -62.74 -42.28 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 37 R H H 129.27 4.12 24.36 28.65 91.39 50.58 -63.78 -41.29 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 38 Q H H 89.20 4.51 23.67 28.14 91.58 49.67 -64.34 -41.65 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.03 0.00 0.00 0.00 39 I H H 23.24 16.75 17.99 35.20 91.75 49.30 -64.19 -42.56 0.30 0.00 99.70 0.03 0.01 0.20 99.72 0.05 0.00 0.00 0.00 40 N H H 57.44 10.60 19.53 30.56 91.59 51.60 -63.32 -41.21 0.81 0.00 99.19 0.10 0.05 0.53 99.20 0.13 0.00 0.00 0.00 41 A H H 54.02 2.48 21.27 22.70 91.47 50.53 -64.09 -41.45 2.06 0.01 97.93 0.22 0.13 1.50 97.77 0.36 0.00 0.00 0.00 42 Y H H 79.10 7.13 17.74 26.27 92.01 49.54 -65.56 -41.12 3.15 0.05 96.80 0.58 0.34 2.11 96.25 0.67 0.01 0.02 0.01 43 Y H H 53.63 12.90 12.91 26.70 91.97 51.34 -65.00 -40.58 5.07 0.16 94.77 1.47 0.73 3.00 93.51 1.14 0.02 0.08 0.04 44 S H H 72.99 2.57 15.35 18.57 92.30 51.40 -65.85 -36.86 9.44 0.16 90.39 1.97 1.04 6.49 88.28 2.03 0.04 0.10 0.05 45 Q H H 132.78 1.35 14.72 15.73 93.58 50.48 -70.78 -31.63 16.01 0.15 83.84 1.93 1.85 12.47 81.43 2.10 0.07 0.07 0.07 46 L H H 85.71 6.01 11.12 18.67 97.29 46.62 -85.94 -8.90 42.34 0.55 57.11 6.45 8.48 28.20 53.92 2.28 0.13 0.19 0.36 47 G C T 51.52 2.50 13.82 17.17 104.38 -116.30 75.41 14.55 79.56 0.73 19.71 28.20 10.58 41.04 12.73 6.66 0.00 0.34 0.45 48 E C T 124.83 4.56 11.94 17.85 105.33 53.93 -90.94 55.68 65.51 1.07 33.43 17.38 14.11 34.26 18.15 14.83 0.04 0.49 0.75 49 G C T 40.25 4.95 14.56 20.56 102.72 29.87 67.22 -20.35 63.88 1.17 34.96 24.26 12.16 28.19 18.97 15.12 0.03 0.54 0.73 50 L H H 72.32 9.15 13.10 23.18 96.85 58.69 -71.49 -30.03 45.03 2.26 52.71 27.20 7.56 10.27 31.54 21.34 0.02 1.31 0.77 51 L H H 70.27 11.14 11.89 23.45 96.27 64.53 -72.55 -25.70 34.72 5.12 60.17 19.77 6.12 9.13 33.48 26.71 0.05 3.72 1.01 52 E H H 127.82 3.26 15.63 19.85 96.13 64.89 -74.06 -23.76 36.44 6.53 57.03 17.43 6.71 12.11 31.83 25.72 0.10 4.93 1.17 53 Y H H 136.98 5.15 14.03 20.27 100.58 51.84 -90.64 -5.93 43.30 8.23 48.47 19.22 8.80 15.62 27.92 20.50 0.26 5.70 1.98 54 V C C 63.04 11.60 11.44 23.38 106.03 76.47 -92.92 34.94 62.29 9.56 28.14 33.21 18.09 12.19 21.61 5.92 0.20 5.30 3.48 55 G C C 32.87 7.42 14.82 23.17 122.03 -147.86 -47.41 172.88 81.13 5.24 13.63 47.28 21.40 12.68 7.13 6.61 0.01 3.16 1.73 56 P C C 86.54 4.89 15.03 20.96 103.26 -26.43 -70.64 61.80 75.20 4.05 20.75 37.76 16.66 21.43 9.45 10.89 0.02 2.42 1.37 57 L C C 93.32 7.69 13.46 22.09 101.61 79.59 -82.10 -6.23 61.88 14.46 23.66 33.87 13.81 15.03 11.70 11.81 0.18 9.42 4.17 58 V C C 58.08 12.44 10.92 23.55 114.18 76.22 -97.96 124.10 62.55 15.79 21.65 40.10 13.02 9.53 13.20 8.80 0.09 11.40 3.84 59 D C C 98.87 4.16 15.34 20.59 105.47 -141.28 -88.25 85.37 74.41 9.73 15.86 53.12 11.93 9.03 9.58 6.58 0.01 7.70 2.05 60 T C C 71.85 9.02 11.57 21.38 105.77 126.04 -95.12 12.55 75.99 6.57 17.44 49.04 16.61 10.32 10.31 7.43 0.02 4.50 1.77 61 H C C 126.67 4.07 14.37 19.70 106.45 66.89 -89.60 66.61 78.04 6.08 15.88 52.63 15.22 10.00 8.59 7.58 0.01 4.23 1.73 62 V C C 73.24 9.85 11.18 21.83 108.05 61.08 -86.68 84.85 77.82 4.99 17.19 54.10 12.09 11.45 8.14 9.25 0.01 3.33 1.62 63 H C C 103.02 7.84 12.15 21.11 109.66 82.45 -93.19 94.78 84.71 2.74 12.56 54.24 14.61 15.87 6.21 6.30 0.00 1.63 1.15 64 E C C 136.15 3.25 15.16 19.36 99.09 82.96 -78.64 -19.52 87.53 1.53 10.94 40.90 31.91 15.09 6.00 4.55 0.00 0.67 0.88 65 K C C 100.48 6.35 17.10 24.39 115.63 58.66 -103.72 126.21 93.68 0.88 5.45 55.66 35.04 2.71 4.98 0.81 0.00 0.29 0.52 66 P H H 41.02 16.38 15.83 32.09 93.95 -135.75 -60.75 -35.70 20.70 0.27 79.02 7.64 3.50 10.19 75.86 2.54 0.02 0.12 0.13 67 L H H 43.79 16.80 18.85 34.89 92.70 55.83 -65.37 -36.17 14.00 0.23 85.76 4.44 1.88 7.77 83.40 2.28 0.02 0.12 0.09 68 S H H 37.83 6.98 22.25 30.15 91.91 53.03 -64.55 -40.41 8.11 0.47 91.42 4.92 1.02 2.73 88.35 2.53 0.01 0.35 0.10 69 I H H 29.93 12.20 21.87 34.96 91.87 50.69 -64.25 -42.53 0.99 0.05 98.96 0.46 0.12 0.40 98.61 0.39 0.00 0.03 0.00 70 A H H 6.78 21.28 19.08 40.71 91.58 51.09 -63.23 -43.29 0.33 0.03 99.64 0.10 0.03 0.16 99.52 0.17 0.00 0.02 0.00 71 L H H 52.62 12.00 22.52 34.51 91.79 50.21 -63.65 -41.53 0.20 0.05 99.75 0.05 0.01 0.11 99.66 0.13 0.00 0.04 0.00 72 R H H 110.82 4.75 23.94 28.76 91.97 50.13 -64.69 -41.59 0.19 0.10 99.71 0.04 0.01 0.11 99.63 0.12 0.00 0.09 0.00 73 E H H 28.77 13.72 18.01 32.82 91.91 49.30 -64.62 -42.21 0.43 0.17 99.40 0.08 0.03 0.27 99.29 0.18 0.00 0.14 0.00 74 I H H 32.33 16.97 15.32 32.32 91.91 49.23 -64.04 -42.91 0.89 0.14 98.97 0.12 0.06 0.66 98.65 0.38 0.00 0.12 0.01 75 N H H 107.84 3.81 17.57 22.46 90.47 51.20 -64.76 -32.10 5.79 0.05 94.16 0.22 0.19 5.39 93.70 0.45 0.01 0.03 0.01 76 A C T 68.54 3.54 16.07 20.43 91.63 53.73 -83.01 -7.41 81.36 0.03 18.61 0.29 0.99 79.04 19.09 0.55 0.00 0.01 0.03 77 G C T 48.85 4.81 15.98 22.11 93.86 -114.68 77.80 15.59 99.60 0.02 0.39 0.75 1.54 97.48 0.18 0.05 0.00 0.01 0.00 78 L C S 60.83 10.30 15.96 27.56 94.95 128.21 -82.28 -18.20 98.14 1.54 0.32 44.13 52.03 2.27 0.10 0.20 0.00 1.00 0.28 79 L E E 21.18 21.85 11.94 33.15 127.10 47.90 -123.98 139.77 47.14 52.33 0.53 28.30 19.54 2.23 0.18 0.41 0.00 45.52 3.81 80 T E E 67.23 5.59 22.72 29.14 130.60 -174.30 -129.57 149.09 28.23 71.50 0.27 25.12 2.70 0.45 0.09 0.17 0.00 70.11 1.35 81 S E E 45.84 17.49 12.71 29.29 124.17 -153.14 -118.76 138.22 26.01 73.58 0.41 22.56 3.29 0.50 0.12 0.25 0.00 72.11 1.17 82 E E E 112.86 4.00 17.87 23.21 124.46 -169.12 -122.11 140.24 31.03 68.54 0.43 26.94 3.46 0.52 0.12 0.26 0.00 67.68 1.02 83 A E E 70.15 6.67 13.28 21.60 114.09 -113.13 -74.13 135.45 44.13 55.05 0.82 40.59 2.32 0.64 0.27 0.45 0.00 54.37 1.36 84 I C C 75.89 10.25 9.22 20.41 115.32 -152.30 -98.29 130.88 76.40 21.95 1.65 62.14 10.12 3.43 0.48 1.20 0.00 20.62 2.02 85 E C C 156.10 1.20 12.16 13.77 112.35 -144.65 -91.19 120.69 88.98 9.29 1.73 55.65 27.78 5.98 0.40 1.34 0.00 7.24 1.59 86 G C C 42.03 4.22 9.89 15.71 126.74 13.25 -115.02 173.25 95.03 2.69 2.27 53.90 34.89 6.57 0.50 1.67 0.00 1.74 0.73 87 P C C 105.81 2.63 10.20 14.06 108.11 -71.80 -71.06 142.91 92.31 1.70 5.99 57.90 14.61 19.50 1.06 5.30 0.00 1.04 0.59 88 A C C 82.12 3.19 7.50 12.61 108.85 -107.38 -78.23 131.61 93.55 1.31 5.13 80.69 2.15 11.57 1.12 3.15 0.00 0.84 0.48 89 Q C C 140.91 1.94 10.74 14.10 109.85 -128.23 -88.32 118.13 99.76 0.16 0.08 99.54 0.17 0.13 0.03 0.01 0.00 0.09 0.03