# 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 K C C 111.92 7.38 16.47 24.94 121.07 -166.62 -111.42 134.85 98.87 1.12 0.01 99.02 0.12 0.02 0.00 0.00 0.00 0.78 0.05 1 Y E C 119.07 9.10 14.44 24.53 121.51 -155.55 -109.43 136.39 47.77 52.03 0.20 46.97 0.87 0.20 0.12 0.08 0.00 46.70 5.07 2 F E E 60.92 13.33 12.12 26.33 121.63 -160.73 -112.23 137.29 45.14 54.66 0.20 40.71 3.08 0.33 0.08 0.13 0.00 50.20 5.47 3 D C C 64.82 5.87 17.86 24.87 110.48 -143.63 -95.44 115.90 64.55 35.29 0.16 63.19 1.44 0.16 0.06 0.09 0.00 32.70 2.37 4 V H G 52.70 15.01 11.37 26.57 93.40 -149.74 -64.91 -26.16 21.41 0.81 77.79 4.02 3.15 13.95 5.47 72.67 0.00 0.63 0.11 5 Q H G 128.22 2.39 16.22 19.27 91.92 67.55 -68.54 -23.57 20.81 0.37 78.82 1.46 2.32 16.21 6.40 73.29 0.00 0.25 0.07 6 D H G 73.25 5.38 14.22 21.05 99.98 49.04 -98.00 4.70 18.09 0.44 81.48 5.18 3.04 9.63 7.22 74.57 0.00 0.29 0.08 7 L H G 42.18 17.41 9.61 26.11 94.81 99.70 -65.25 -30.85 31.30 0.75 67.95 9.87 4.85 16.65 16.71 51.15 0.01 0.41 0.34 8 E H G 132.37 3.67 16.37 20.99 93.26 64.24 -70.05 -20.28 41.22 0.60 58.19 4.51 5.01 30.07 12.61 47.06 0.05 0.34 0.36 9 N H G 108.22 2.88 16.44 19.70 101.40 49.39 -98.14 13.71 45.77 1.66 52.57 10.95 10.29 25.67 8.61 42.66 0.07 0.87 0.87 10 T C C 42.79 14.78 9.70 24.19 113.99 114.72 -84.81 133.90 82.14 6.95 10.92 50.66 23.57 7.47 5.85 4.88 0.02 2.77 4.80 11 T C C 84.65 5.85 16.47 23.06 104.89 -156.20 -86.95 58.54 79.24 7.80 12.95 38.20 18.18 23.90 4.87 7.26 0.05 3.94 3.60 12 G C T 34.61 10.31 14.71 25.24 109.98 51.67 -48.40 -6.94 78.87 6.42 14.70 26.61 25.20 28.70 4.20 9.25 0.07 3.53 2.44 13 A C C 61.22 7.89 16.90 25.35 107.59 75.78 -89.33 64.29 74.38 10.16 15.46 40.63 20.45 14.36 5.02 9.93 0.05 6.37 3.19 14 W C C 102.64 12.14 14.43 26.95 112.72 82.41 -99.57 112.69 64.24 21.14 14.63 40.03 14.99 9.13 6.91 7.87 0.15 12.37 8.56 15 D C C 66.60 9.09 16.69 26.59 113.58 -147.29 -101.26 116.75 72.85 16.86 10.29 57.58 8.22 6.17 5.14 5.31 0.01 12.23 5.34 16 L C T 72.74 12.26 14.47 26.83 98.98 -170.12 -80.61 -8.95 73.45 12.27 14.28 21.93 17.10 35.92 5.60 7.77 0.17 8.00 3.52 17 Y C T 116.66 8.38 15.38 24.28 101.72 55.52 -91.45 10.06 80.50 8.72 10.78 15.56 18.73 46.62 4.15 6.09 0.11 5.53 3.20 18 G C C 38.68 7.29 13.95 22.36 106.54 -90.28 85.32 6.70 86.68 6.71 6.61 30.69 30.64 26.40 1.93 4.14 0.01 3.75 2.45 19 V C C 84.86 6.24 12.25 19.88 110.38 100.47 -96.37 104.37 76.68 10.08 13.23 41.90 21.33 13.97 6.52 6.33 0.05 5.30 4.58 20 D C C 92.70 5.19 12.20 18.69 104.25 -143.61 -83.95 14.32 66.64 8.94 24.43 32.14 19.99 15.85 12.00 11.46 0.16 4.91 3.49 21 E C C 116.91 4.80 12.16 18.27 105.29 88.10 -83.95 42.80 60.48 6.79 32.72 32.04 16.14 13.32 15.77 16.35 0.09 3.94 2.36 22 M C C 105.84 6.97 10.75 19.01 102.36 135.42 -79.95 8.54 53.30 7.80 38.90 32.15 10.98 11.13 16.20 22.29 0.05 4.95 2.25 23 K C C 130.53 4.39 12.52 18.40 107.16 94.77 -86.95 83.98 55.87 10.03 34.09 32.83 12.27 12.03 13.36 20.19 0.07 6.52 2.74 24 R C C 142.82 5.07 13.14 19.44 106.33 127.24 -87.24 40.36 59.49 12.99 27.52 31.76 15.58 13.61 11.20 15.42 0.18 7.60 4.64 25 Y C C 89.22 11.67 9.58 21.64 114.42 55.09 -102.57 119.34 90.30 4.42 5.28 52.79 34.97 2.78 3.96 1.33 0.00 1.83 2.35 26 P C C 72.30 5.42 13.33 20.18 109.29 -122.48 -68.38 148.18 69.07 0.92 30.01 47.74 7.08 13.07 26.75 4.47 0.00 0.47 0.42 27 G H H 53.69 1.99 14.93 16.93 97.16 -64.77 -57.31 -37.58 42.99 0.71 56.31 13.34 8.36 22.42 48.53 6.57 0.07 0.35 0.35 28 L H H 85.22 5.97 14.32 21.28 95.49 51.72 -70.88 -33.41 26.83 0.99 72.18 13.12 4.85 10.89 62.85 7.27 0.06 0.58 0.38 29 Q H H 54.96 13.37 13.18 26.71 94.65 59.81 -66.35 -38.66 8.31 0.28 91.41 5.69 1.36 2.40 87.05 3.25 0.01 0.18 0.06 30 E H H 90.75 6.39 17.15 24.42 93.33 55.16 -65.27 -39.64 2.92 0.09 96.99 1.46 0.46 1.26 95.30 1.44 0.01 0.06 0.02 31 E H H 101.88 2.79 19.83 22.02 92.70 51.13 -65.91 -40.34 1.53 0.05 98.42 0.57 0.21 0.80 97.40 0.97 0.00 0.03 0.01 32 F H H 49.55 11.72 17.06 29.74 92.60 50.19 -65.21 -42.64 0.94 0.04 99.02 0.34 0.12 0.49 98.43 0.58 0.00 0.03 0.01 33 F H H 46.51 15.56 16.30 31.88 92.34 50.02 -64.65 -41.25 0.72 0.04 99.24 0.23 0.08 0.39 98.91 0.36 0.00 0.02 0.00 34 Q H H 99.14 4.56 19.90 24.87 92.02 50.78 -64.40 -40.82 1.01 0.03 98.95 0.22 0.09 0.66 98.64 0.35 0.00 0.02 0.00 35 R H H 122.71 3.79 20.48 24.20 92.56 48.23 -66.67 -40.80 2.36 0.05 97.59 0.36 0.19 1.75 97.09 0.56 0.01 0.02 0.01 36 A H H 25.21 14.27 15.93 30.67 93.34 47.59 -68.72 -37.62 6.25 0.05 93.70 0.75 0.51 4.82 92.91 0.94 0.02 0.02 0.02 37 T H H 40.13 14.16 14.33 28.69 93.13 55.33 -74.43 -23.83 28.43 0.40 71.17 4.35 2.88 21.26 67.82 3.16 0.10 0.18 0.25 38 D C T 106.51 2.57 18.12 21.16 92.85 66.11 -70.73 -20.80 59.71 0.40 39.89 4.26 5.50 47.88 37.97 3.91 0.05 0.17 0.26 39 A C T 68.86 5.00 15.91 21.73 97.53 50.56 -87.85 -7.90 68.92 1.18 29.90 9.47 9.29 48.73 27.04 4.20 0.06 0.61 0.59 40 V C C 37.75 15.90 9.07 24.70 120.76 81.64 -104.23 138.85 84.24 12.36 3.40 53.62 29.36 1.49 3.19 0.57 0.01 4.04 7.73 41 S C C 55.12 3.09 18.11 21.08 121.56 -128.36 -81.29 163.45 88.10 9.78 2.12 84.99 3.13 0.61 2.02 0.26 0.00 4.27 4.71 42 R H H 144.22 6.23 13.19 21.18 91.64 -102.57 -58.21 -38.31 5.00 0.06 94.94 1.48 1.16 2.56 93.60 1.15 0.01 0.03 0.02 43 R H H 150.30 2.17 16.40 18.84 91.94 52.00 -64.60 -40.16 2.75 0.03 97.22 0.54 0.33 1.82 95.73 1.54 0.01 0.02 0.01 44 E H H 85.78 5.97 16.61 23.64 92.03 49.44 -66.34 -39.70 1.56 0.03 98.41 0.38 0.18 0.97 96.86 1.58 0.00 0.02 0.00 45 A H H 24.94 12.44 14.50 28.10 91.93 51.25 -64.09 -41.90 1.06 0.02 98.92 0.29 0.11 0.60 97.97 1.02 0.00 0.01 0.00 46 L H H 73.37 7.16 18.26 26.31 91.82 49.62 -64.79 -41.35 1.44 0.03 98.53 0.28 0.12 0.96 97.61 0.99 0.00 0.02 0.00 47 N H H 81.11 4.28 19.86 24.39 92.16 50.12 -65.09 -40.61 3.03 0.03 96.94 0.43 0.23 2.23 95.74 1.34 0.01 0.02 0.01 48 G H H 23.67 8.88 17.55 27.61 92.22 51.27 -65.03 -40.37 7.67 0.10 92.23 1.21 0.67 5.68 90.34 1.98 0.03 0.06 0.04 49 F H H 75.25 10.92 17.20 28.49 92.76 50.18 -66.46 -40.10 8.74 0.55 90.72 2.43 1.14 5.48 87.55 2.82 0.06 0.38 0.14 50 V H H 74.17 6.25 17.97 24.88 92.55 51.57 -65.78 -40.26 11.08 1.75 87.17 4.36 1.67 5.77 83.26 3.08 0.09 1.44 0.33 51 A H H 63.40 4.35 18.11 22.64 93.31 50.53 -66.98 -38.50 16.17 2.08 81.75 5.14 2.23 9.43 77.57 3.41 0.14 1.62 0.46 52 L H H 81.86 7.61 16.57 24.52 95.71 48.18 -74.84 -35.93 27.46 1.98 70.55 7.40 4.75 16.78 65.07 3.77 0.32 1.22 0.70 53 S H H 53.51 7.98 16.44 24.98 97.48 48.04 -74.49 -32.21 36.71 1.23 62.07 12.29 6.43 19.21 57.47 3.34 0.11 0.62 0.54 54 A H H 60.14 6.51 17.01 23.94 96.43 55.80 -66.75 -30.39 38.33 0.96 60.71 12.56 7.27 19.82 55.30 4.03 0.10 0.47 0.44 55 G H H 34.58 7.54 17.09 25.00 96.33 50.52 -64.43 -40.42 31.43 0.77 67.79 13.08 5.36 14.41 62.65 3.71 0.06 0.40 0.32 56 V H H 76.25 6.89 17.98 25.15 94.60 51.44 -68.21 -39.34 17.10 0.84 82.06 9.01 3.01 6.48 77.41 3.27 0.04 0.54 0.23 57 A H H 50.43 7.36 17.90 25.88 94.19 53.35 -66.93 -40.16 11.68 1.16 87.16 6.46 1.92 4.46 82.92 3.08 0.04 0.92 0.21 58 S H H 46.99 8.14 17.45 26.31 93.40 51.62 -66.43 -40.65 7.75 1.40 90.85 4.18 1.32 3.21 86.96 2.81 0.05 1.29 0.19 59 I H H 79.46 7.11 18.10 25.75 93.39 50.82 -66.01 -41.57 4.41 1.10 94.49 2.00 0.72 2.13 91.30 2.60 0.05 1.08 0.11 60 A H H 50.99 6.33 17.72 24.70 93.14 51.23 -65.27 -41.38 4.35 0.88 94.77 1.60 0.63 2.44 91.09 3.21 0.06 0.88 0.09 61 L H H 79.46 7.00 17.01 24.78 93.17 50.85 -66.67 -39.03 6.46 0.72 92.82 1.66 0.84 4.34 88.56 3.75 0.10 0.63 0.12 62 F H H 110.34 7.22 15.92 23.90 94.10 50.91 -72.33 -30.46 13.83 0.60 85.56 2.17 1.56 10.53 81.57 3.39 0.18 0.42 0.19 63 G H H 41.85 6.65 14.46 22.00 97.87 57.35 -76.29 -14.86 36.13 1.17 62.70 6.21 4.69 25.85 58.36 3.49 0.22 0.62 0.55 64 K C T 132.53 4.46 13.70 19.61 104.54 77.08 -80.28 39.92 72.01 1.54 26.45 6.47 7.78 55.21 25.05 3.77 0.10 0.79 0.84 65 G C T 54.67 3.08 14.92 19.03 104.48 -47.56 85.23 5.14 86.80 1.31 11.88 15.49 11.62 59.61 9.08 2.86 0.01 0.72 0.62 66 A C C 48.39 11.30 10.12 21.86 115.65 130.15 -85.45 141.17 91.61 4.06 4.33 66.10 20.42 4.65 2.70 1.68 0.00 1.81 2.62 67 S C C 65.95 4.75 15.35 21.04 114.06 -130.99 -89.55 147.83 90.81 4.30 4.89 74.88 11.16 4.38 2.01 2.89 0.00 2.26 2.41 68 T C T 87.51 7.36 13.51 21.75 97.87 -118.77 -74.84 -11.56 66.67 4.39 28.94 20.97 19.84 27.90 4.02 23.24 0.03 2.60 1.41 69 L C T 95.75 7.37 14.10 22.27 104.04 76.69 -85.60 18.90 62.82 8.17 29.00 20.12 15.98 29.42 4.40 22.63 0.08 5.54 1.82 70 E C C 110.94 6.30 16.43 23.59 112.72 91.61 -97.05 117.81 55.91 15.17 28.93 27.93 15.64 15.55 4.89 22.24 0.10 10.16 3.48 71 L C C 52.15 14.48 11.55 26.13 117.09 -152.79 -92.56 135.97 80.20 16.27 3.53 43.50 34.09 3.61 1.50 1.95 0.04 10.40 4.92 72 P C C 65.15 7.10 14.67 23.09 109.75 -109.40 -68.42 141.55 82.20 13.60 4.20 65.56 9.49 6.58 1.78 2.41 0.00 10.28 3.89 73 I C C 100.63 7.55 11.80 20.37 108.71 -126.07 -84.47 119.10 88.90 6.40 4.70 59.48 12.77 16.80 1.86 2.65 0.00 4.02 2.41 74 G C C 51.86 3.64 13.13 17.92 106.95 18.68 78.75 -12.69 93.44 2.70 3.86 52.07 17.70 23.93 1.07 2.66 0.00 1.66 0.91 75 T C C 96.67 3.49 12.05 16.85 106.99 72.43 -89.09 4.11 88.34 7.07 4.59 51.42 21.58 15.68 1.40 3.16 0.00 4.66 2.09 76 K C C 144.17 2.99 12.71 16.97 107.79 48.55 -93.50 60.78 79.81 16.01 4.17 51.77 20.06 8.21 1.72 2.47 0.01 8.23 7.54 77 G C C 29.75 9.24 11.21 21.33 127.61 -139.00 -101.32 173.83 89.80 8.43 1.77 64.73 22.21 2.92 0.78 1.07 0.00 5.63 2.66 78 P C C 79.41 6.52 12.25 20.20 112.29 -58.71 -69.31 145.55 87.41 7.14 5.45 68.20 11.21 7.76 1.81 3.70 0.00 5.03 2.29 79 R C C 151.25 4.81 11.04 17.57 113.23 -133.76 -89.12 132.37 81.13 12.65 6.23 64.15 10.47 5.61 2.73 3.57 0.01 6.78 6.68 80 M C C 125.49 4.32 10.22 16.22 113.69 -142.00 -87.79 137.61 85.09 9.33 5.58 66.16 14.82 3.88 2.81 2.76 0.00 5.95 3.61 81 E C C 140.23 2.40 11.52 15.12 114.57 -108.90 -83.11 140.53 88.90 6.47 4.63 74.47 11.25 3.31 2.24 2.21 0.00 4.52 2.00 82 K C C 131.54 5.53 8.89 16.13 112.85 -111.72 -81.61 140.00 87.80 8.00 4.20 77.43 7.27 3.09 1.92 2.10 0.00 5.59 2.59 83 T C C 92.01 3.55 10.78 15.99 117.86 -153.22 -100.92 138.46 82.25 14.11 3.64 71.70 7.04 2.80 1.73 1.90 0.00 9.46 5.37 84 E C C 136.31 3.36 10.07 15.15 111.28 -117.78 -82.20 134.10 74.76 20.50 4.73 55.14 11.96 6.29 2.21 2.74 0.01 11.73 9.92 85 N C C 105.54 4.42 9.31 15.25 107.05 -132.45 -85.53 85.73 86.01 9.61 4.38 52.31 20.16 13.80 1.17 3.22 0.00 5.83 3.49 86 G C C 53.31 3.24 9.37 13.91 106.70 -98.91 58.65 -16.72 86.82 4.75 8.44 36.17 22.35 28.78 1.26 7.17 0.00 2.55 1.72 87 K C T 157.56 1.82 8.76 11.64 104.05 33.96 -88.27 27.26 85.50 3.99 10.52 20.75 22.54 42.43 1.36 9.03 0.01 2.15 1.73 88 G C T 57.64 2.08 9.69 12.92 105.34 -53.60 80.41 4.54 87.20 3.63 9.17 22.46 26.86 38.00 1.02 8.33 0.00 2.12 1.21 89 G C C 47.42 3.55 9.62 14.79 118.70 129.52 -94.89 172.66 79.60 13.79 6.61 47.04 19.74 13.35 1.14 5.83 0.01 9.94 2.96 90 I C C 119.28 3.99 8.79 14.50 112.23 -100.81 -91.11 127.68 65.51 32.49 2.00 57.98 3.57 2.19 0.94 1.13 0.00 20.62 13.56 91 L C C 105.30 5.55 10.99 18.08 110.84 -151.53 -89.36 123.36 98.68 1.30 0.02 98.70 0.16 0.05 0.01 0.00 0.00 0.99 0.07