# 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 G C C 42.67 7.58 17.29 25.52 110.77 -130.83 81.79 17.27 99.91 0.08 0.01 99.80 0.11 0.04 0.00 0.00 0.00 0.04 0.01 1 V C C 47.01 13.51 12.94 26.98 119.51 -66.89 -101.34 138.24 91.76 6.91 1.33 91.41 0.89 0.44 1.15 0.14 0.00 2.71 3.26 2 K C C 104.23 4.49 20.84 25.26 115.39 -125.19 -80.92 143.91 90.18 7.15 2.68 87.30 2.41 0.67 2.55 0.29 0.00 2.28 4.48 3 A H H 23.91 19.04 12.00 30.44 92.87 -122.29 -59.04 -39.15 6.04 0.03 93.93 1.25 0.88 3.77 89.72 4.35 0.01 0.01 0.01 4 Y H H 131.62 4.06 18.57 23.34 91.74 54.43 -63.93 -38.14 3.57 0.02 96.41 0.41 0.37 2.66 91.39 5.16 0.01 0.01 0.01 5 E H H 98.08 3.64 19.75 23.46 92.05 50.76 -66.34 -38.84 2.24 0.01 97.75 0.32 0.23 1.57 91.93 5.93 0.00 0.01 0.00 6 L H H 8.78 22.08 12.13 34.02 91.78 51.67 -66.13 -38.80 2.73 0.01 97.26 0.34 0.26 1.92 91.18 6.28 0.00 0.01 0.00 7 R H H 97.74 13.48 15.97 29.23 91.36 58.49 -67.47 -25.66 25.60 0.03 74.38 0.51 0.72 24.86 69.42 4.43 0.02 0.01 0.02 8 T C T 108.22 1.17 19.48 18.96 95.01 52.16 -89.50 -6.66 60.40 0.03 39.57 1.09 1.92 57.62 35.71 3.62 0.00 0.01 0.04 9 K C S 57.19 13.54 9.29 23.25 120.66 102.91 -79.06 150.57 99.22 0.25 0.53 30.73 67.86 0.59 0.47 0.07 0.00 0.05 0.24 10 S C C 59.34 2.18 20.12 20.87 120.25 -109.91 -73.55 162.40 99.01 0.75 0.24 98.47 0.51 0.08 0.18 0.02 0.00 0.12 0.62 11 K H H 98.86 13.18 12.17 25.31 91.70 -105.92 -58.36 -38.66 1.21 0.00 98.79 0.15 0.15 0.76 98.62 0.31 0.00 0.00 0.00 12 E H H 139.03 1.29 18.70 18.94 91.48 52.71 -63.89 -39.97 0.64 0.00 99.36 0.05 0.04 0.48 99.06 0.36 0.00 0.00 0.00 13 Q H H 91.88 3.55 19.09 22.83 91.73 48.68 -65.46 -40.37 0.31 0.00 99.69 0.04 0.02 0.20 99.38 0.35 0.00 0.00 0.00 14 L H H 10.18 19.77 13.22 33.41 91.73 50.32 -63.56 -42.84 0.20 0.00 99.80 0.03 0.01 0.11 99.75 0.10 0.00 0.00 0.00 15 A H H 37.77 9.95 18.84 29.76 91.28 51.20 -63.05 -41.70 0.39 0.00 99.61 0.03 0.02 0.24 99.65 0.06 0.00 0.00 0.00 16 S H H 63.75 1.76 23.55 22.92 91.68 49.92 -64.31 -41.39 0.85 0.00 99.15 0.06 0.03 0.62 99.23 0.06 0.00 0.00 0.00 17 Q H H 58.70 10.19 20.49 31.28 91.96 49.31 -65.28 -41.26 0.67 0.00 99.33 0.08 0.04 0.40 99.42 0.06 0.00 0.00 0.00 18 L H H 12.52 20.74 16.09 36.85 91.75 50.82 -63.99 -42.33 0.38 0.00 99.62 0.06 0.02 0.21 99.66 0.04 0.00 0.00 0.00 19 V H H 71.60 4.43 22.47 26.99 91.49 50.37 -63.28 -41.85 0.20 0.00 99.80 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 20 D H H 78.22 2.63 23.40 24.83 91.64 49.62 -64.40 -41.31 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 21 L H H 17.34 17.34 17.11 34.96 91.82 50.28 -64.50 -41.83 0.20 0.00 99.80 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 22 K H H 82.00 12.86 19.60 32.02 91.44 52.28 -62.43 -41.63 0.14 0.00 99.86 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 23 K H H 125.72 1.64 23.60 23.21 91.65 49.87 -64.30 -41.45 0.15 0.00 99.85 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 24 E H H 68.89 7.90 20.66 29.42 91.63 49.35 -64.90 -41.22 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 25 L H H 19.90 18.26 16.05 34.43 91.66 50.73 -63.76 -41.80 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 26 A H H 51.01 4.50 21.30 26.14 91.31 51.40 -63.28 -40.79 0.37 0.00 99.63 0.03 0.01 0.25 99.64 0.07 0.00 0.00 0.00 27 E H H 107.27 2.37 22.44 23.61 91.79 49.98 -65.15 -40.78 0.90 0.00 99.10 0.07 0.04 0.66 99.09 0.14 0.00 0.00 0.00 28 L H H 23.86 14.50 15.70 31.26 91.92 50.90 -64.46 -41.25 1.29 0.00 98.71 0.16 0.08 0.85 98.53 0.37 0.00 0.00 0.00 29 K H H 86.90 9.88 17.97 28.36 91.81 52.14 -63.39 -41.15 2.54 0.01 97.44 0.48 0.21 1.63 96.98 0.70 0.00 0.00 0.00 30 V H H 86.22 1.83 19.49 19.90 92.21 49.75 -64.98 -41.16 5.25 0.06 94.69 1.17 0.60 3.30 93.66 1.20 0.01 0.03 0.02 31 Q H H 73.27 5.34 15.47 22.36 92.47 50.36 -66.12 -38.92 9.39 0.16 90.45 3.20 1.29 4.89 88.87 1.58 0.02 0.07 0.07 32 K H H 74.75 11.73 11.84 24.10 92.74 54.37 -66.19 -36.33 16.42 0.26 83.31 5.57 2.14 8.81 80.89 2.30 0.03 0.12 0.13 33 L H H 115.96 2.59 14.04 17.48 93.46 51.62 -71.19 -29.71 23.87 0.25 75.88 5.73 3.51 14.46 74.05 1.98 0.04 0.10 0.13 34 S H H 83.10 1.47 13.11 14.47 98.46 49.08 -85.28 -16.41 47.17 0.32 52.50 9.56 10.57 26.21 51.76 1.56 0.03 0.10 0.21 35 R C C 150.93 3.36 11.46 16.29 112.66 24.53 -117.82 99.47 95.40 0.26 4.34 50.15 24.18 20.87 3.64 0.87 0.00 0.10 0.20 36 P C C 88.53 4.84 11.08 17.71 105.14 -143.33 -70.39 61.91 98.39 0.22 1.38 87.27 6.76 4.57 0.69 0.48 0.00 0.10 0.14 37 S C C 69.89 4.81 13.29 19.27 105.63 61.46 -88.17 76.85 97.86 0.26 1.87 92.54 3.25 2.41 1.12 0.41 0.00 0.10 0.17 38 L C C 66.37 11.68 10.96 23.10 101.92 142.43 -81.36 4.33 83.12 0.25 16.63 77.99 2.42 2.50 15.84 1.02 0.00 0.08 0.14 39 P C H 81.17 3.53 16.79 20.90 93.63 66.50 -64.12 -37.55 51.38 0.26 48.36 40.47 3.27 5.60 48.88 1.57 0.00 0.10 0.11 40 K H H 101.42 7.01 17.89 25.62 93.04 51.92 -67.43 -36.85 23.58 0.32 76.10 16.61 2.47 4.75 74.22 1.69 0.00 0.13 0.13 41 I H H 28.07 17.98 13.91 31.60 92.52 54.71 -65.50 -40.43 4.28 0.04 95.68 2.39 0.54 1.24 95.00 0.80 0.00 0.02 0.01 42 K H H 106.56 5.56 20.40 26.46 91.79 53.65 -63.69 -40.21 2.04 0.02 97.94 1.01 0.24 0.74 97.42 0.58 0.00 0.01 0.00 43 T H H 64.54 4.48 22.19 26.71 92.16 50.54 -65.00 -41.51 1.28 0.01 98.71 0.49 0.13 0.56 98.42 0.39 0.00 0.00 0.00 44 V H H 17.06 18.19 17.96 36.15 92.07 49.72 -64.62 -42.67 0.82 0.00 99.17 0.25 0.08 0.38 99.10 0.18 0.00 0.00 0.00 45 R H H 81.65 14.55 20.79 34.49 91.53 51.58 -62.82 -42.20 0.55 0.00 99.45 0.12 0.04 0.28 99.47 0.09 0.00 0.00 0.00 46 K H H 110.50 4.39 24.84 29.10 91.76 49.86 -64.63 -41.04 0.38 0.00 99.62 0.07 0.03 0.20 99.65 0.05 0.00 0.00 0.00 47 S H H 28.25 12.67 22.52 35.36 91.92 49.75 -65.24 -41.53 0.37 0.00 99.63 0.05 0.02 0.21 99.67 0.05 0.00 0.00 0.00 48 I H H 14.04 20.87 20.86 41.23 91.56 49.80 -64.68 -42.81 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 49 A H H 34.84 9.79 24.05 34.34 91.20 51.59 -63.45 -41.50 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 50 C H H 48.81 7.98 25.39 33.95 91.74 50.20 -64.22 -41.82 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 51 V H H 11.98 19.67 21.55 41.18 91.51 50.13 -63.94 -43.28 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 52 L H H 43.08 15.46 23.43 38.21 91.52 50.18 -63.97 -41.84 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 53 T H H 54.21 7.14 24.59 31.94 91.66 50.17 -64.51 -42.08 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 54 V H H 32.80 11.73 22.72 35.07 91.84 49.01 -64.47 -42.99 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 55 I H H 21.34 16.51 20.35 37.12 91.60 49.02 -63.59 -42.90 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 56 N H H 56.09 9.61 21.59 31.54 91.88 50.27 -64.32 -41.30 0.21 0.00 99.79 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 57 E H H 81.23 6.08 21.78 28.20 91.89 50.38 -64.91 -41.37 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 58 Q H H 72.97 8.29 20.86 29.53 92.35 49.52 -65.73 -41.07 0.29 0.00 99.71 0.02 0.01 0.19 99.73 0.04 0.00 0.00 0.00 59 Q H H 62.53 10.72 18.79 30.08 91.95 50.57 -64.00 -41.19 0.40 0.00 99.60 0.04 0.02 0.26 99.62 0.06 0.00 0.00 0.00 60 R H H 105.72 7.71 19.52 27.68 92.12 50.32 -64.39 -41.26 0.37 0.00 99.63 0.04 0.02 0.25 99.60 0.09 0.00 0.00 0.00 61 E H H 93.39 4.12 20.47 24.53 91.95 49.89 -65.12 -40.84 0.36 0.00 99.64 0.03 0.02 0.24 99.60 0.11 0.00 0.00 0.00 62 A H H 38.48 6.19 18.14 25.79 92.10 50.14 -64.85 -40.72 0.66 0.00 99.34 0.05 0.03 0.46 99.28 0.18 0.00 0.00 0.00 63 V H H 41.05 10.31 15.84 27.46 92.15 50.24 -64.92 -41.00 1.02 0.00 98.98 0.09 0.05 0.74 98.64 0.48 0.00 0.00 0.00 64 R H H 112.33 6.60 16.35 24.07 92.26 52.24 -64.69 -39.94 1.01 0.00 98.99 0.08 0.05 0.74 97.95 1.18 0.00 0.00 0.00 65 Q H H 111.60 2.39 17.61 19.59 92.34 50.63 -66.17 -38.45 2.58 0.00 97.41 0.13 0.12 2.23 94.68 2.83 0.00 0.00 0.00 66 L H H 85.35 5.67 15.14 21.91 93.26 50.06 -71.40 -31.59 8.82 0.01 91.18 0.19 0.34 8.57 88.85 2.02 0.01 0.00 0.00 67 Y H H 71.80 10.93 10.24 22.35 99.14 42.84 -101.93 4.69 46.39 0.15 53.46 2.58 3.23 39.33 52.01 2.61 0.05 0.05 0.14 68 K C T 135.07 4.10 10.19 16.78 110.17 125.10 -64.12 129.11 93.44 0.29 6.27 2.71 3.09 88.00 4.68 1.12 0.00 0.11 0.29 69 G C T 68.06 0.40 13.25 11.57 95.73 15.08 80.04 -0.55 97.01 0.09 2.91 2.16 5.49 89.85 1.33 1.08 0.00 0.04 0.05 70 K C S 102.61 5.55 8.02 15.59 123.43 112.23 -98.24 154.16 94.20 0.73 5.08 40.38 42.86 10.58 1.38 3.70 0.00 0.21 0.88 71 K C T 177.07 0.65 12.38 12.33 95.58 -126.30 -71.59 -24.73 95.29 0.39 4.31 6.18 41.25 48.00 0.50 3.64 0.00 0.19 0.25 72 Y C T 135.80 4.55 11.53 17.71 118.53 41.54 -118.60 122.48 92.45 2.34 5.21 19.20 31.95 41.34 0.99 4.08 0.00 1.00 1.43 73 Q C C 81.65 9.08 12.54 22.95 116.96 -147.63 -90.33 133.43 90.94 2.37 6.69 58.23 29.88 2.82 4.28 2.25 0.00 0.87 1.67 74 P C C 42.33 13.13 11.43 25.32 111.76 -107.78 -65.33 143.89 84.06 1.33 14.61 74.86 4.43 5.61 6.61 7.05 0.00 0.66 0.78 75 K C C 141.33 3.70 15.41 20.36 95.90 -140.16 -70.99 -24.12 69.02 1.17 29.81 29.93 17.10 22.49 11.84 17.31 0.01 0.51 0.81 76 D C C 98.47 3.78 15.63 20.21 101.56 51.63 -91.67 26.82 66.82 1.40 31.78 33.04 13.08 20.82 14.03 17.53 0.01 0.65 0.85 77 L C C 56.75 14.92 11.01 25.42 102.37 125.64 -83.76 5.32 65.66 1.57 32.77 42.78 12.68 10.05 19.92 12.96 0.01 0.70 0.91 78 R C C 103.35 10.09 13.44 24.27 116.07 99.07 -89.99 138.03 71.11 1.27 27.62 50.90 12.71 7.25 22.87 5.02 0.00 0.53 0.73 79 A C C 48.75 7.32 13.87 22.75 113.02 -110.59 -68.62 149.72 62.03 0.82 37.15 48.20 7.58 5.70 34.26 3.51 0.00 0.34 0.40 80 K H H 140.32 3.75 13.90 19.11 93.84 -114.00 -61.69 -35.13 32.33 0.49 67.19 18.19 6.94 8.28 61.92 4.22 0.01 0.21 0.21 81 K H H 127.31 3.33 16.12 20.12 94.24 54.84 -69.95 -31.06 28.22 0.45 71.33 15.81 5.22 7.91 66.96 3.70 0.01 0.21 0.18 82 T H H 32.27 12.14 12.99 26.17 95.13 54.46 -70.37 -38.33 20.73 0.34 78.93 13.62 3.24 4.50 76.03 2.34 0.00 0.16 0.12 83 R H H 100.60 8.15 16.02 25.07 93.09 57.95 -63.63 -40.87 5.26 0.08 94.67 2.66 0.95 1.83 93.14 1.36 0.00 0.04 0.02 84 A H H 49.28 3.77 17.60 22.14 92.23 51.65 -63.81 -41.21 2.98 0.05 96.98 1.15 0.43 1.39 95.44 1.54 0.00 0.03 0.01 85 L H H 61.09 9.10 16.27 26.45 92.28 49.97 -65.69 -40.34 2.32 0.03 97.65 0.67 0.29 1.24 95.61 2.15 0.00 0.02 0.00 86 R H H 82.41 13.43 14.41 27.92 91.78 52.67 -64.95 -37.24 3.58 0.03 96.40 0.67 0.38 2.29 93.63 3.00 0.01 0.01 0.01 87 R H H 148.07 3.57 17.93 22.20 91.85 55.43 -69.90 -25.45 15.19 0.05 84.77 1.09 1.14 12.57 81.87 3.25 0.03 0.02 0.03 88 A H H 67.45 4.17 16.88 21.63 94.98 59.98 -82.10 -10.28 41.56 0.22 58.22 4.58 4.79 31.78 55.01 3.55 0.05 0.09 0.16 89 L C C 37.80 17.46 8.33 24.82 116.09 103.89 -76.83 139.59 87.57 1.64 10.80 56.25 26.37 4.13 10.23 1.11 0.00 0.39 1.53 90 T C C 63.89 3.81 15.62 20.21 122.85 -133.23 -84.13 165.43 92.94 0.87 6.19 87.62 3.50 1.29 6.28 0.41 0.00 0.23 0.67 91 K H H 152.04 2.14 13.42 16.92 91.96 -102.71 -58.67 -37.21 8.87 0.08 91.05 2.14 1.94 5.17 87.06 3.59 0.02 0.03 0.04 92 F H H 133.47 2.33 14.57 17.39 92.43 53.59 -65.48 -39.26 7.25 0.05 92.70 1.21 1.02 5.01 87.57 5.13 0.02 0.03 0.02 93 E H H 68.45 10.45 12.38 23.74 92.86 49.63 -67.50 -37.42 5.77 0.04 94.19 1.14 0.74 3.66 87.65 6.76 0.01 0.02 0.01 94 A H H 47.49 9.90 12.28 23.23 92.23 56.84 -66.43 -30.27 11.99 0.06 87.94 1.61 1.44 8.48 83.35 5.04 0.02 0.03 0.03 95 S H H 80.82 2.10 16.29 18.33 93.97 55.19 -83.39 -9.82 49.46 0.28 50.27 6.81 5.34 36.74 46.58 4.18 0.04 0.11 0.20 96 Q C C 94.33 6.80 12.18 20.52 112.36 96.08 -80.19 132.14 79.10 1.45 19.45 49.90 17.77 10.21 18.41 2.30 0.00 0.57 0.83 97 V C C 62.29 10.89 9.98 21.65 119.19 -141.18 -99.61 140.27 87.90 1.82 10.28 72.85 10.76 2.69 11.06 0.93 0.00 0.75 0.96 98 T C C 59.19 4.24 13.72 19.39 120.48 -124.84 -80.10 162.91 89.29 1.57 9.14 83.03 3.67 1.58 9.76 0.58 0.00 0.59 0.79 99 E H H 130.96 2.85 13.08 17.29 91.87 -107.86 -59.53 -38.18 5.67 0.05 94.28 2.48 1.12 2.04 93.38 0.94 0.00 0.02 0.02 100 K H H 129.83 2.00 14.26 16.67 91.91 52.86 -64.70 -40.27 3.49 0.03 96.48 1.07 0.50 1.79 95.53 1.09 0.00 0.02 0.01 101 Q H H 68.55 6.24 12.73 20.87 92.24 49.79 -66.05 -39.79 2.27 0.03 97.71 0.82 0.30 1.09 96.58 1.18 0.00 0.01 0.00 102 R H H 112.40 4.96 13.99 20.35 92.02 51.31 -63.89 -41.13 1.81 0.02 98.17 0.63 0.24 0.85 97.59 0.67 0.00 0.01 0.00 103 K H H 112.33 2.47 15.05 17.92 92.21 50.00 -65.04 -40.00 2.52 0.03 97.46 0.79 0.30 1.31 96.91 0.67 0.00 0.01 0.01 104 K H H 106.01 4.48 13.86 19.67 92.39 50.96 -66.22 -38.59 3.39 0.03 96.59 0.96 0.39 1.88 95.84 0.91 0.00 0.01 0.01 105 Q H H 94.47 6.44 13.29 20.96 93.49 51.09 -68.78 -34.13 6.50 0.03 93.47 1.30 0.73 4.22 92.34 1.37 0.01 0.01 0.02 106 I H H 105.42 3.08 14.93 18.54 96.12 44.74 -75.70 -34.23 15.69 0.06 84.26 1.89 1.77 11.70 83.17 1.40 0.02 0.02 0.04 107 A H H 65.29 4.01 14.05 18.89 97.77 45.56 -81.28 -25.35 31.34 0.16 68.51 4.43 5.95 21.44 66.54 1.44 0.04 0.05 0.12 108 F C C 89.83 8.92 10.47 20.64 111.36 43.04 -113.16 100.92 85.71 0.63 13.66 42.37 35.82 7.85 9.60 3.62 0.00 0.20 0.53 109 P C C 75.50 5.75 11.98 19.43 110.73 -153.23 -70.85 143.82 80.76 0.67 18.56 50.08 10.80 19.78 7.57 11.02 0.00 0.33 0.41 110 Q C C 125.96 3.70 11.92 17.26 111.95 -116.82 -87.05 129.01 77.35 2.54 20.11 46.87 12.54 17.84 8.02 12.12 0.00 1.28 1.34 111 R C C 131.49 7.44 8.96 17.69 114.49 -149.41 -90.99 133.54 82.72 3.20 14.08 63.94 11.13 7.71 6.32 7.68 0.00 1.84 1.39 112 K C C 151.66 2.35 11.85 15.49 104.12 -163.11 -88.60 2.75 83.49 4.31 12.19 56.08 16.36 11.49 4.82 7.09 0.00 2.76 1.39 113 Y C C 139.23 5.17 9.68 16.39 116.21 43.79 -105.57 136.80 78.84 9.93 11.24 50.57 14.52 14.26 4.06 6.82 0.01 7.24 2.53 114 A C C 68.69 6.18 9.56 17.17 115.13 -156.19 -99.73 133.40 87.67 7.39 4.94 80.95 1.75 5.96 2.00 1.81 0.00 5.55 1.97 115 I C C 98.94 7.57 12.40 21.16 112.68 -148.37 -95.76 121.19 99.75 0.24 0.01 99.73 0.07 0.02 0.00 0.00 0.00 0.16 0.01