# 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 111.27 7.11 12.26 20.65 114.83 -165.38 -95.53 128.55 99.81 0.18 0.02 99.75 0.10 0.04 0.01 0.00 0.00 0.09 0.02 1 G C C 46.71 4.51 10.83 17.05 122.44 148.41 -127.29 174.27 90.25 7.77 1.97 86.43 1.36 2.72 0.87 0.70 0.00 6.12 1.79 2 R C C 173.71 2.14 10.74 14.34 112.33 -90.75 -89.58 133.53 78.02 16.03 5.95 56.95 13.13 7.44 2.50 3.52 0.01 12.04 4.41 3 K C C 136.00 4.66 9.13 15.72 112.57 -117.47 -84.47 133.98 74.94 15.38 9.68 53.48 13.66 7.46 4.00 5.75 0.01 11.25 4.38 4 S C C 65.73 6.45 9.66 17.53 116.28 -134.70 -87.19 147.37 77.65 9.80 12.54 55.27 14.32 8.22 4.42 8.01 0.00 7.77 1.98 5 T C C 104.19 2.81 12.30 16.34 106.94 -127.56 -84.88 90.55 78.40 9.12 12.48 51.65 17.62 9.63 4.51 7.71 0.00 6.90 1.99 6 I C C 95.93 7.47 10.24 19.07 115.75 77.96 -96.50 130.54 77.49 12.73 9.77 51.04 20.43 6.09 4.70 5.13 0.02 8.41 4.18 7 K C C 129.40 4.57 13.54 19.82 117.03 -143.19 -94.37 137.47 85.03 10.68 4.29 63.52 19.15 2.39 2.50 1.86 0.00 7.36 3.20 8 P C C 66.10 10.33 11.00 22.19 113.11 -106.66 -68.17 146.32 80.75 9.55 9.70 67.32 6.46 6.76 3.39 6.16 0.00 7.23 2.67 9 A C C 78.14 4.75 13.89 20.08 103.43 -139.01 -82.39 5.02 77.07 11.05 11.88 36.83 21.22 19.59 2.67 8.88 0.03 7.22 3.55 10 T C S 74.63 6.78 13.56 21.45 111.03 59.40 -101.36 93.93 79.12 10.35 10.53 24.76 29.28 26.37 2.28 7.47 0.05 6.32 3.47 11 G C C 45.29 6.22 15.22 22.26 105.11 -110.09 79.36 3.22 83.89 8.35 7.76 32.87 30.80 21.33 1.91 5.44 0.02 5.53 2.11 12 I C C 81.09 8.88 13.09 23.11 119.51 113.45 -102.38 138.06 66.10 24.74 9.16 38.14 18.03 10.10 4.23 5.10 0.14 16.06 8.20 13 A C C 53.88 8.57 13.28 23.21 116.72 -141.17 -96.57 133.12 55.50 34.35 10.16 34.87 12.25 8.27 5.35 5.25 0.22 23.24 10.54 14 V C C 79.53 7.96 12.35 21.66 120.24 -162.09 -112.93 135.40 54.41 30.69 14.90 21.73 16.60 19.13 6.16 8.05 0.71 19.65 7.97 15 G C T 49.47 3.50 15.10 19.48 111.22 10.74 74.89 -123.00 69.73 10.86 19.42 16.46 22.39 32.78 4.88 12.80 0.14 7.59 2.95 16 F C T 138.12 4.71 13.56 19.23 98.26 -1.42 -80.83 -20.08 72.74 6.84 20.42 12.43 21.38 40.22 4.18 14.86 0.11 4.30 2.51 17 N C T 79.05 8.90 11.15 20.86 102.34 54.45 -100.37 28.60 68.28 14.74 16.98 20.86 19.98 29.49 3.62 12.25 0.16 8.85 4.79 18 S C T 76.29 4.53 12.55 19.01 109.19 135.29 -67.73 125.46 80.09 12.05 7.86 12.54 13.26 54.38 2.08 5.67 0.04 8.87 3.15 19 G C T 52.36 3.45 15.38 19.80 97.71 15.04 85.22 -1.49 83.44 11.80 4.76 13.92 17.29 52.68 0.86 3.83 0.01 10.16 1.26 20 H C C 81.93 9.57 12.35 23.23 117.59 124.38 -90.34 136.56 65.66 31.48 2.86 48.60 13.23 3.49 1.26 1.92 0.01 26.38 5.11 21 V E E 80.68 6.92 16.38 24.51 115.31 -131.73 -90.14 131.79 37.61 60.86 1.53 31.35 3.08 0.89 1.24 0.61 0.00 46.23 16.59 22 V C C 50.37 13.49 12.15 26.19 119.22 -157.10 -104.35 133.63 57.26 40.35 2.39 48.26 6.17 1.64 1.89 0.96 0.00 35.55 5.53 23 T C C 54.05 7.80 14.39 23.73 122.39 -156.71 -105.91 146.89 68.18 28.32 3.49 56.77 7.86 2.30 2.63 1.35 0.00 24.48 4.60 24 K C C 131.30 5.52 13.35 20.17 98.96 -127.97 -74.00 -18.37 76.73 9.09 14.18 35.94 28.34 13.33 8.89 5.04 0.05 6.56 1.86 25 R C C 146.49 3.69 12.67 17.71 105.92 70.24 -84.79 51.14 76.91 4.19 18.91 35.16 25.67 17.04 11.04 7.17 0.03 2.54 1.35 26 N C C 97.70 5.14 12.50 18.94 103.78 56.16 -81.50 47.53 72.65 5.24 22.11 47.73 13.49 11.41 12.52 9.67 0.02 3.58 1.59 27 L C C 79.18 9.05 10.05 20.05 107.43 114.41 -84.85 94.25 69.17 6.80 24.03 50.08 10.24 8.65 13.94 10.35 0.02 4.81 1.91 28 K C C 127.95 3.71 13.46 18.44 108.93 65.36 -84.78 112.91 71.97 7.40 20.63 54.29 9.66 7.62 12.53 8.54 0.02 5.23 2.12 29 L C C 90.37 6.82 10.71 18.95 108.94 -115.23 -75.62 119.29 76.70 7.62 15.68 62.03 7.60 6.61 9.69 6.27 0.01 5.29 2.49 30 H C C 113.55 5.96 10.69 18.11 109.99 -142.72 -92.76 111.02 87.79 2.98 9.24 71.02 9.65 6.99 6.07 3.23 0.00 1.85 1.18 31 K C C 141.70 3.01 11.14 15.73 110.10 -152.38 -90.45 108.55 89.41 2.95 7.64 67.08 13.37 8.98 4.36 3.21 0.00 1.86 1.15 32 K C C 128.30 4.85 9.02 15.65 113.24 -161.02 -91.88 128.05 90.83 2.75 6.41 69.49 12.88 8.41 3.44 2.90 0.00 1.58 1.31 33 K C C 152.08 2.31 9.94 13.72 107.72 -152.54 -88.03 34.07 90.80 2.49 6.70 58.88 22.99 8.96 3.83 2.77 0.00 1.22 1.33 34 K C C 126.54 3.76 9.82 15.34 119.31 46.63 -99.25 142.04 90.90 2.13 6.97 49.21 34.89 7.12 4.00 2.74 0.00 1.01 1.03 35 P C C 100.69 2.80 11.92 16.12 111.99 -101.27 -72.14 143.52 85.66 2.99 11.34 65.61 11.93 8.02 6.65 4.77 0.00 1.66 1.37 36 F C C 108.54 9.34 8.37 18.52 113.03 -123.88 -86.99 134.05 84.37 3.41 12.22 66.63 11.82 5.53 8.96 3.56 0.00 1.59 1.90 37 S C C 54.74 4.13 12.26 17.78 119.72 -132.73 -84.22 161.33 84.99 2.26 12.76 72.75 8.63 2.81 12.20 1.48 0.00 0.87 1.25 38 K H H 155.12 1.60 12.68 14.97 92.84 -103.06 -61.62 -35.89 13.65 0.19 86.16 4.89 3.43 5.93 83.35 2.22 0.03 0.08 0.08 39 R H H 141.08 3.10 14.01 17.88 92.55 53.17 -66.07 -39.10 10.95 0.16 88.90 3.56 1.81 5.85 86.18 2.44 0.03 0.08 0.06 40 K H H 65.56 10.91 12.78 24.55 92.81 49.93 -66.63 -39.64 6.27 0.13 93.59 3.03 0.96 2.65 91.02 2.22 0.01 0.08 0.04 41 E H H 92.27 6.04 15.80 22.96 92.11 52.67 -64.29 -41.09 2.16 0.04 97.80 1.03 0.31 0.83 97.14 0.65 0.00 0.02 0.01 42 L H H 88.55 2.88 18.44 21.18 92.20 50.63 -64.86 -41.98 1.38 0.03 98.59 0.53 0.17 0.64 98.15 0.47 0.00 0.02 0.00 43 I H H 55.96 9.48 17.44 27.88 92.15 49.23 -65.22 -42.02 0.92 0.02 99.07 0.28 0.11 0.48 98.76 0.36 0.00 0.01 0.00 44 K H H 58.23 13.96 16.50 30.53 92.02 51.26 -63.96 -41.21 0.93 0.01 99.05 0.21 0.10 0.55 98.83 0.30 0.00 0.01 0.00 45 D H H 72.99 4.33 20.43 24.98 91.90 50.75 -65.02 -40.27 1.98 0.02 98.00 0.34 0.18 1.35 97.69 0.41 0.01 0.01 0.00 46 V H H 60.71 5.50 19.82 25.95 92.03 49.89 -65.03 -42.31 3.36 0.04 96.60 0.41 0.35 2.59 96.12 0.48 0.02 0.02 0.01 47 V H H 21.64 15.22 15.18 31.22 92.29 49.60 -65.07 -42.37 4.57 0.10 95.34 0.71 0.70 3.30 94.69 0.49 0.05 0.03 0.04 48 R H H 97.02 10.89 15.93 27.18 92.24 51.21 -64.01 -40.34 4.77 0.07 95.16 0.75 0.60 3.46 94.17 0.93 0.03 0.03 0.03 49 E H H 131.60 2.14 18.42 20.46 94.14 46.65 -70.51 -37.32 6.83 0.06 93.11 0.45 0.58 6.11 91.77 0.98 0.07 0.03 0.03 50 I H H 87.73 6.61 17.03 24.34 100.93 35.32 -87.75 -38.46 17.15 0.08 82.77 0.45 1.35 15.98 80.93 1.04 0.17 0.02 0.05 51 T H H 46.30 11.76 14.94 27.31 102.51 22.40 -106.21 -14.79 28.33 0.28 71.39 1.60 6.22 20.78 70.11 0.83 0.18 0.07 0.22 52 G C S 37.75 5.59 18.70 25.35 98.11 -117.20 82.29 5.98 98.88 0.59 0.52 45.76 45.89 7.30 0.19 0.31 0.00 0.26 0.29 53 F C C 56.09 14.50 14.32 29.18 124.95 107.75 -108.44 148.57 95.87 3.41 0.72 67.16 26.78 1.35 0.43 0.26 0.00 0.95 3.07 54 S C C 29.10 10.20 18.00 29.48 119.33 -117.20 -77.54 159.90 98.58 0.30 1.12 91.95 6.08 0.45 1.12 0.10 0.00 0.09 0.20 55 P H H 62.83 8.88 19.04 29.04 91.89 -107.01 -58.89 -36.04 9.85 0.03 90.12 1.51 1.56 6.50 89.02 1.36 0.02 0.01 0.02 56 Y H H 78.30 13.09 19.86 32.72 92.24 53.32 -64.90 -38.51 6.21 0.02 93.77 0.73 0.62 4.68 92.44 1.49 0.01 0.01 0.01 57 E H H 46.74 15.76 18.99 34.32 92.50 50.96 -66.04 -40.61 2.28 0.01 97.70 0.57 0.24 1.33 96.67 1.18 0.00 0.01 0.00 58 K H H 83.29 9.96 21.36 31.37 91.87 51.49 -64.24 -41.10 0.62 0.00 99.38 0.15 0.06 0.30 99.23 0.27 0.00 0.00 0.00 59 R H H 91.36 9.66 22.56 32.21 91.87 50.26 -64.86 -41.05 0.53 0.00 99.46 0.09 0.04 0.31 99.35 0.21 0.00 0.00 0.00 60 I H H 19.09 18.80 19.17 37.90 92.11 50.23 -64.64 -42.22 0.42 0.00 99.58 0.05 0.02 0.26 99.45 0.21 0.00 0.00 0.00 61 I H H 42.65 12.94 21.09 34.25 91.45 50.96 -63.37 -41.78 0.35 0.00 99.65 0.03 0.02 0.24 99.48 0.24 0.00 0.00 0.00 62 E H H 81.20 6.04 22.92 29.20 91.66 51.55 -64.12 -40.49 1.07 0.00 98.93 0.06 0.05 0.90 98.18 0.81 0.00 0.00 0.00 63 L H H 31.99 14.26 18.49 33.30 92.11 51.50 -64.66 -41.00 1.60 0.00 98.40 0.09 0.08 1.28 95.85 2.69 0.00 0.00 0.00 64 I H H 37.12 16.65 16.50 33.05 92.00 51.30 -66.25 -35.34 4.60 0.02 95.38 0.45 0.37 3.54 91.45 4.17 0.01 0.01 0.01 65 K H H 126.90 4.91 19.48 25.06 92.27 53.89 -69.10 -28.05 18.79 0.09 81.12 1.91 1.64 14.98 78.19 3.14 0.04 0.04 0.05 66 I H H 91.24 6.20 16.06 23.05 97.03 52.84 -85.61 -14.69 38.93 0.45 60.62 7.03 8.00 24.58 57.79 2.06 0.09 0.15 0.32 67 G C C 31.16 10.67 12.37 23.50 119.19 -122.82 65.65 158.26 91.79 0.69 7.52 60.80 11.61 19.02 6.31 1.49 0.00 0.28 0.49 68 T C C 97.73 4.28 14.44 20.05 102.34 -131.01 -96.84 3.23 95.85 1.10 3.04 67.09 22.11 6.60 1.87 1.13 0.00 0.44 0.77 69 S C C 52.13 5.10 13.74 20.31 122.06 87.55 -92.70 157.41 87.75 0.94 11.31 52.31 28.64 6.52 9.28 2.21 0.00 0.30 0.73 70 A H H 79.72 3.08 13.82 18.29 92.77 -113.12 -61.08 -35.19 26.85 0.27 72.88 8.81 7.05 11.75 63.63 8.46 0.04 0.11 0.15 71 S H H 66.42 4.46 16.33 21.60 92.76 56.36 -66.40 -36.06 21.31 0.26 78.43 6.38 3.53 11.55 69.55 8.69 0.05 0.13 0.12 72 T H H 29.30 15.02 13.18 28.41 93.99 50.17 -74.07 -28.00 18.17 0.34 81.49 8.95 2.57 7.01 72.65 8.48 0.01 0.20 0.13 73 K H H 97.80 8.50 18.08 27.18 92.72 63.19 -63.56 -40.74 7.20 0.10 92.70 4.02 1.16 2.26 90.80 1.67 0.00 0.05 0.04 74 R H H 121.66 3.09 22.91 25.21 91.81 51.39 -64.67 -41.11 2.70 0.03 97.27 1.00 0.36 1.26 96.61 0.74 0.00 0.01 0.01 75 S H H 18.90 14.10 19.05 33.81 91.90 50.83 -63.96 -42.40 1.62 0.02 98.36 0.52 0.18 0.83 97.86 0.58 0.00 0.01 0.00 76 L H H 21.67 18.25 17.94 36.04 91.79 51.17 -64.01 -41.47 0.71 0.01 99.28 0.19 0.07 0.35 99.09 0.29 0.00 0.00 0.00 77 K H H 106.74 4.02 24.18 28.03 91.73 50.66 -64.12 -41.42 0.77 0.01 99.22 0.15 0.06 0.45 99.13 0.21 0.00 0.00 0.00 78 Y H H 82.37 6.09 22.21 28.70 91.77 49.27 -64.01 -42.60 1.04 0.01 98.95 0.15 0.09 0.68 98.81 0.26 0.00 0.00 0.00 79 A H H 6.59 18.88 14.73 34.54 91.31 50.98 -63.18 -42.28 1.14 0.01 98.85 0.22 0.13 0.66 98.80 0.18 0.00 0.00 0.00 80 K H H 83.48 11.91 16.74 28.78 91.65 51.79 -63.57 -39.76 1.13 0.01 98.87 0.17 0.11 0.71 98.77 0.23 0.00 0.00 0.00 81 K H H 151.41 1.23 19.71 19.63 92.25 50.37 -66.63 -38.25 1.79 0.01 98.20 0.12 0.11 1.46 97.96 0.33 0.01 0.00 0.00 82 K H H 112.83 5.64 17.47 23.79 98.20 38.35 -81.49 -36.73 4.92 0.01 95.07 0.15 0.28 4.46 94.69 0.40 0.01 0.00 0.00 83 L H H 48.31 13.45 12.56 26.28 102.04 29.08 -102.44 -15.87 15.12 0.08 84.80 1.10 2.56 11.29 84.51 0.42 0.04 0.02 0.05 84 G C C 36.78 3.48 17.31 21.71 119.17 -126.10 85.40 -165.98 98.25 0.40 1.35 47.86 39.82 10.70 0.63 0.58 0.00 0.15 0.27 85 T C S 79.55 4.07 16.61 21.26 119.26 -15.82 -104.86 155.06 96.02 1.44 2.54 41.40 50.78 3.85 1.67 0.70 0.00 0.35 1.24 86 H H H 103.41 8.05 13.53 22.48 97.17 -109.91 -67.80 -43.24 42.80 0.52 56.68 9.45 28.99 4.84 55.39 0.88 0.02 0.09 0.33 87 K H H 147.84 1.46 18.14 18.61 92.79 46.21 -63.93 -41.04 4.30 0.02 95.67 0.69 0.81 2.59 95.17 0.71 0.01 0.00 0.01 88 R H H 113.26 4.46 18.39 23.48 92.26 48.22 -66.05 -40.26 2.11 0.01 97.88 0.44 0.26 1.27 97.19 0.82 0.00 0.00 0.00 89 G H H 5.56 16.01 12.76 30.08 91.36 51.90 -62.80 -42.66 1.22 0.01 98.78 0.31 0.14 0.64 98.34 0.56 0.00 0.00 0.00 90 K H H 102.02 5.06 20.38 26.00 91.72 50.30 -64.07 -41.53 0.69 0.00 99.30 0.16 0.07 0.35 99.20 0.22 0.00 0.00 0.00 91 A H H 54.92 2.58 21.74 23.29 91.35 50.15 -63.99 -42.11 0.60 0.00 99.40 0.11 0.05 0.33 99.39 0.12 0.00 0.00 0.00 92 K H H 68.92 11.01 18.88 30.38 92.18 49.53 -65.33 -40.65 0.45 0.00 99.55 0.07 0.03 0.24 99.58 0.08 0.00 0.00 0.00 93 R H H 70.53 14.69 17.27 31.70 91.74 52.06 -63.01 -41.64 0.19 0.00 99.80 0.03 0.01 0.10 99.82 0.04 0.00 0.00 0.00 94 E H H 104.68 2.42 22.77 23.98 91.41 50.09 -63.93 -41.78 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 95 E H H 91.60 4.26 21.71 25.99 91.55 49.59 -64.69 -41.86 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 96 I H H 23.43 16.57 16.50 33.65 91.84 49.81 -64.37 -41.49 0.23 0.00 99.77 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 97 Q H H 78.11 7.96 19.95 28.58 91.53 52.13 -63.28 -40.39 0.43 0.00 99.57 0.04 0.02 0.30 99.59 0.05 0.00 0.00 0.00 98 K H H 121.40 2.19 22.25 23.29 91.93 50.28 -65.35 -40.43 0.46 0.00 99.54 0.04 0.02 0.31 99.59 0.04 0.00 0.00 0.00 99 V H H 43.16 9.08 19.30 29.58 92.05 50.06 -64.78 -42.73 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 100 V H H 32.84 11.97 17.95 31.00 91.96 49.35 -64.13 -42.63 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 101 I H H 75.90 4.16 20.01 24.58 91.54 49.85 -63.26 -42.28 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 102 L H H 74.16 3.79 19.13 23.29 91.75 50.06 -63.98 -41.97 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 103 Q H H 67.37 8.25 16.98 26.36 92.16 49.91 -64.73 -41.02 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 104 R H H 115.65 5.66 16.92 23.56 91.91 50.16 -64.54 -40.67 0.30 0.00 99.70 0.03 0.01 0.19 99.72 0.05 0.00 0.00 0.00 105 R H H 136.81 1.93 17.37 18.76 91.91 49.99 -64.84 -40.95 0.72 0.00 99.28 0.08 0.04 0.46 99.30 0.11 0.00 0.00 0.00 106 K H H 104.25 2.59 15.86 18.72 91.95 49.77 -64.93 -40.67 1.66 0.00 98.34 0.22 0.12 1.09 98.30 0.27 0.00 0.00 0.00 107 A H H 42.46 4.98 12.29 19.34 91.93 51.37 -64.66 -39.69 4.45 0.01 95.54 0.63 0.36 2.99 95.34 0.67 0.00 0.00 0.00 108 A H H 64.66 2.84 11.65 15.76 92.70 51.83 -66.87 -35.65 12.38 0.04 87.58 1.79 1.14 8.78 86.81 1.44 0.01 0.01 0.02 109 E H H 142.62 1.14 11.13 12.39 93.77 53.67 -71.23 -27.27 30.32 0.22 69.46 6.08 3.93 20.45 67.38 1.92 0.03 0.08 0.14 110 K C H 151.51 1.49 10.11 12.38 98.23 55.31 -80.32 -11.54 57.06 0.33 42.61 26.36 1.65 27.02 42.95 1.70 0.00 0.12 0.20 111 H C C 132.62 3.61 9.73 15.00 104.57 80.91 -83.56 62.32 99.89 0.03 0.08 99.71 0.09 0.13 0.05 0.00 0.00 0.01 0.01