# 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 114.62 5.65 10.99 18.39 117.29 -160.96 -98.59 133.68 99.78 0.18 0.03 99.72 0.10 0.04 0.02 0.00 0.00 0.09 0.02 1 S C C 76.31 3.73 9.46 15.00 115.58 -141.35 -90.21 139.04 87.47 5.09 7.44 84.92 1.18 2.24 5.94 1.06 0.00 3.43 1.22 2 V C C 112.52 2.71 8.53 12.99 111.60 -148.36 -92.27 124.97 62.22 12.50 25.29 43.17 10.95 7.31 21.73 4.67 0.04 10.16 1.97 3 F C C 133.50 4.80 8.11 14.54 116.90 -151.52 -103.68 131.31 46.75 20.97 32.27 32.22 8.14 5.91 27.14 5.48 0.09 18.86 2.17 4 R C H 157.27 2.87 10.20 14.78 116.49 -159.67 -105.04 127.74 38.34 24.82 36.84 27.38 5.36 4.75 30.99 5.71 0.06 24.02 1.74 5 L H H 102.39 5.41 9.50 16.55 114.06 -159.65 -97.78 126.98 31.62 25.07 43.30 21.83 4.71 4.65 36.54 5.95 0.07 24.76 1.50 6 V H H 90.55 5.10 9.84 16.62 114.62 -160.39 -101.47 126.62 31.15 25.25 43.61 21.40 4.67 4.62 37.20 5.66 0.07 24.96 1.42 7 E H H 126.35 3.66 10.63 15.91 110.23 -157.31 -89.18 121.20 34.53 22.96 42.51 23.30 4.94 5.64 36.25 5.73 0.08 22.60 1.44 8 R H H 151.65 3.52 10.45 15.55 107.17 -121.87 -88.74 75.68 40.85 17.63 41.52 25.74 6.87 7.92 35.40 6.02 0.12 16.35 1.58 9 A C C 70.93 5.12 9.70 16.33 108.76 59.77 -85.35 117.51 50.11 15.32 34.57 32.68 7.56 8.99 29.17 6.03 0.07 13.93 1.58 10 I C C 121.44 3.34 10.49 15.23 106.27 55.72 -91.65 24.27 52.27 16.73 31.00 30.75 9.23 12.04 25.15 6.29 0.17 14.08 2.30 11 M C T 124.85 3.48 10.18 15.18 109.78 67.89 -92.00 108.05 69.35 11.92 18.73 27.21 14.27 27.85 13.64 5.42 0.11 9.70 1.79 12 G C C 46.79 4.55 11.14 17.27 117.80 -100.58 85.55 165.78 75.96 19.25 4.79 33.87 16.97 25.27 1.90 2.43 0.02 18.38 1.17 13 R E E 142.06 4.84 11.29 17.86 120.54 -121.25 -107.09 138.26 40.13 57.37 2.49 31.14 6.61 3.00 1.31 1.27 0.01 53.83 2.84 14 K E E 133.64 4.65 10.84 17.51 118.40 -148.95 -105.38 132.17 23.01 75.33 1.66 18.48 3.45 1.54 1.09 0.81 0.00 69.85 4.77 15 A E E 62.32 6.66 9.47 17.61 113.00 -173.28 -116.70 109.74 37.05 60.05 2.91 22.23 7.93 9.88 1.08 1.90 0.02 54.45 2.51 16 G C T 58.84 1.24 13.75 14.64 109.00 -48.34 64.33 -127.14 94.81 3.20 1.99 9.81 16.20 68.74 0.25 1.77 0.00 2.82 0.41 17 N C T 121.47 3.04 13.56 17.43 99.33 -12.73 -93.79 3.14 94.23 4.07 1.70 9.06 18.31 66.74 0.17 1.57 0.00 3.75 0.39 18 L E E 58.38 12.46 9.99 23.33 119.98 102.27 -98.51 135.94 22.80 76.67 0.53 17.47 4.82 1.26 0.24 0.35 0.00 73.52 2.35 19 Y E E 114.61 6.91 17.08 25.35 122.93 -164.42 -116.99 135.63 16.14 83.65 0.21 14.05 1.63 0.31 0.11 0.12 0.00 81.09 2.69 20 I E E 45.35 15.03 13.74 29.62 120.37 -160.08 -111.63 130.76 31.77 68.05 0.18 29.05 1.93 0.21 0.12 0.10 0.00 65.00 3.60 21 N C C 69.61 8.02 18.43 27.45 110.74 -151.49 -103.05 112.82 91.59 8.30 0.11 89.39 2.15 0.15 0.04 0.04 0.00 7.72 0.50 22 P C C 51.61 13.32 13.32 27.13 106.30 -152.31 -69.77 119.50 83.78 3.69 12.53 71.95 5.34 6.95 3.39 8.77 0.00 2.64 0.96 23 K C C 125.52 5.30 15.17 21.63 107.74 -104.04 -76.70 118.02 76.23 2.41 21.36 38.01 18.68 19.82 5.16 15.88 0.01 1.18 1.25 24 K C C 127.99 5.38 12.97 19.74 106.47 -102.50 -87.31 95.67 73.94 3.17 22.89 37.46 17.13 19.85 5.84 16.47 0.01 1.51 1.73 25 L C C 87.57 8.90 10.43 20.22 106.75 127.02 -91.95 74.51 79.35 2.30 18.35 45.05 16.73 17.68 6.85 11.16 0.00 1.04 1.48 26 G C C 47.74 3.79 12.89 18.14 112.93 -32.61 81.18 -157.30 84.91 1.30 13.80 38.37 22.30 24.63 4.41 8.91 0.00 0.58 0.81 27 N C C 124.98 2.14 13.71 16.81 106.16 -22.20 -87.79 64.40 84.41 1.42 14.17 40.34 25.18 19.31 4.12 9.50 0.00 0.62 0.93 28 L C C 91.48 8.51 10.46 19.95 110.88 135.25 -86.64 116.49 86.89 1.71 11.40 51.65 20.98 14.41 3.77 7.31 0.00 0.76 1.11 29 A C C 67.91 5.83 13.69 20.88 110.42 -145.01 -87.89 122.98 90.62 1.61 7.77 61.13 19.08 10.28 3.14 4.50 0.00 0.65 1.22 30 K C C 93.84 9.37 13.73 23.90 114.10 -124.00 -91.96 128.00 95.78 0.72 3.50 69.41 24.12 1.98 2.97 0.68 0.00 0.21 0.63 31 P C T 73.06 6.17 16.99 24.30 94.07 -137.61 -64.07 -28.01 67.89 0.50 31.60 13.93 6.41 46.37 28.12 4.62 0.01 0.23 0.32 32 C C H 33.43 14.57 15.09 29.91 93.85 55.46 -72.33 -25.90 54.85 0.37 44.78 9.99 4.66 38.97 42.09 3.87 0.02 0.16 0.23 33 M H H 54.37 13.03 16.32 29.83 92.60 66.68 -63.91 -40.34 4.43 0.05 95.52 2.55 0.63 1.21 94.74 0.83 0.00 0.02 0.01 34 K H H 121.29 3.38 21.52 25.13 92.02 51.83 -64.83 -40.60 0.54 0.00 99.45 0.20 0.05 0.22 99.29 0.24 0.00 0.00 0.00 35 E H H 68.62 10.00 20.12 30.54 91.92 49.95 -65.24 -41.11 0.20 0.00 99.80 0.05 0.01 0.09 99.71 0.14 0.00 0.00 0.00 36 M H H 31.63 17.95 18.05 35.74 92.31 50.61 -65.05 -41.64 0.13 0.00 99.87 0.02 0.01 0.07 99.85 0.05 0.00 0.00 0.00 37 V H H 59.23 8.55 21.37 30.49 91.54 51.28 -63.05 -41.72 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 38 S H H 48.21 5.29 22.89 28.36 91.56 51.10 -63.76 -41.74 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 F H H 40.96 15.85 19.86 35.63 91.86 49.92 -63.88 -42.27 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 40 L H H 40.55 14.69 20.07 34.63 91.80 50.11 -63.59 -41.51 0.06 0.00 99.94 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 41 N H H 81.37 3.73 23.71 27.08 91.59 51.37 -63.96 -41.56 0.24 0.00 99.76 0.01 0.01 0.20 99.72 0.06 0.00 0.00 0.00 42 C H H 29.30 8.39 18.63 28.85 91.49 50.64 -63.81 -42.25 0.51 0.00 99.49 0.02 0.02 0.43 99.37 0.15 0.00 0.00 0.00 43 M H H 27.70 14.78 14.80 30.55 91.85 50.78 -63.86 -40.63 1.17 0.00 98.83 0.08 0.08 0.95 98.40 0.48 0.00 0.00 0.00 44 A H H 58.67 5.92 16.58 23.54 91.77 51.75 -65.40 -37.25 4.70 0.00 95.30 0.21 0.24 4.21 94.45 0.88 0.01 0.00 0.00 45 L H H 116.55 2.09 16.55 18.61 93.05 51.17 -71.03 -30.52 14.88 0.03 85.10 0.63 1.07 13.27 83.93 1.05 0.03 0.01 0.02 46 N C T 74.69 6.70 11.75 20.15 99.46 40.99 -101.59 9.25 64.30 0.53 35.17 7.95 13.68 41.25 34.44 2.05 0.05 0.15 0.44 47 N C T 129.70 1.42 16.84 17.91 95.01 -115.28 59.55 37.31 96.54 0.23 3.22 20.32 16.58 59.94 1.22 1.68 0.00 0.12 0.14 48 I C C 80.03 13.10 11.34 24.27 97.01 -76.44 60.79 37.62 94.60 0.95 4.46 46.83 28.37 19.62 1.50 2.63 0.00 0.37 0.68 49 K C C 116.01 3.62 16.41 20.94 109.52 145.53 -99.21 107.34 96.12 0.64 3.24 86.29 6.84 3.08 1.79 1.22 0.00 0.22 0.56 50 D H H 80.42 8.09 13.13 22.22 99.00 -114.98 -65.45 -47.38 19.02 0.10 80.89 6.57 6.82 6.18 78.80 1.54 0.01 0.03 0.06 51 D H H 112.96 1.20 18.43 18.15 93.30 41.88 -65.22 -37.78 6.18 0.02 93.81 0.78 0.84 4.34 92.59 1.43 0.01 0.00 0.01 52 K H H 98.15 4.79 17.90 23.45 92.29 51.46 -66.62 -39.52 3.58 0.01 96.40 0.69 0.39 2.33 95.14 1.44 0.00 0.01 0.00 53 C H H 10.91 17.78 11.97 30.33 91.92 51.20 -64.18 -42.10 1.87 0.01 98.12 0.55 0.21 0.98 97.63 0.63 0.00 0.00 0.00 54 E H H 91.46 4.98 20.18 25.71 91.41 51.99 -63.40 -41.71 0.33 0.00 99.67 0.09 0.03 0.14 99.67 0.07 0.00 0.00 0.00 55 K H H 119.99 1.82 23.13 23.05 91.60 49.82 -64.59 -41.88 0.18 0.00 99.82 0.03 0.01 0.09 99.84 0.03 0.00 0.00 0.00 56 Q H H 35.95 13.78 18.34 32.74 92.01 49.26 -64.76 -41.55 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 57 K H H 56.85 15.96 18.22 33.58 91.49 52.80 -62.21 -42.22 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 58 Q H H 108.42 2.19 24.10 25.05 91.33 50.26 -63.67 -41.41 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 59 L H H 71.18 5.85 21.99 28.27 91.57 50.00 -64.15 -42.29 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 60 L H H 16.33 19.40 16.84 36.49 91.83 49.85 -63.85 -42.49 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 61 S H H 43.57 8.75 20.76 30.13 91.31 50.80 -62.89 -41.97 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 62 V H H 81.89 2.24 23.21 23.76 91.71 49.68 -64.10 -42.36 0.24 0.00 99.76 0.01 0.01 0.18 99.75 0.05 0.00 0.00 0.00 63 C H H 30.46 10.77 17.83 29.97 91.97 49.77 -64.47 -42.24 0.68 0.00 99.32 0.04 0.03 0.52 99.22 0.19 0.00 0.00 0.00 64 M H H 44.30 14.76 15.67 30.63 92.32 49.62 -66.67 -37.72 3.49 0.01 96.50 0.29 0.24 2.81 95.94 0.69 0.00 0.00 0.00 65 Q H H 119.19 2.94 18.44 21.90 92.27 53.43 -66.98 -32.59 15.95 0.04 84.01 1.00 1.15 13.68 83.00 1.10 0.02 0.01 0.03 66 G H H 45.57 3.31 16.15 19.88 95.51 53.63 -77.64 -17.50 48.97 0.21 50.82 5.36 6.27 35.78 50.52 1.81 0.03 0.07 0.16 67 Q C C 72.16 11.90 10.49 22.68 102.63 81.84 -78.92 6.17 76.25 0.88 22.87 45.52 19.47 11.26 19.08 3.65 0.00 0.28 0.73 68 S C C 69.48 4.81 12.71 18.94 102.97 104.11 -74.99 -12.87 79.71 1.02 19.26 51.30 11.98 16.65 12.53 6.34 0.00 0.45 0.75 69 D C C 110.86 2.45 12.32 15.82 101.34 55.22 -85.36 4.98 82.37 0.97 16.66 40.96 20.90 20.97 8.86 7.20 0.00 0.40 0.70 70 H C C 116.10 5.67 9.89 17.10 106.41 92.88 -86.09 59.37 84.01 1.06 14.93 47.00 22.72 14.33 8.13 6.53 0.00 0.42 0.87 71 K C C 138.66 3.25 11.23 16.02 106.64 78.48 -81.96 80.65 88.12 0.90 10.99 50.58 22.03 15.51 5.71 5.15 0.00 0.37 0.66 72 N C C 112.47 3.57 11.42 16.49 104.44 119.01 -85.30 44.04 87.41 1.16 11.43 53.76 20.97 12.58 6.03 5.33 0.00 0.50 0.83 73 K C C 112.26 6.70 11.15 19.19 110.34 122.82 -87.80 121.94 85.16 1.81 13.03 55.63 21.92 7.48 8.72 4.25 0.00 0.73 1.27 74 S C C 65.30 5.29 13.54 20.07 105.46 -105.38 -77.26 62.39 84.55 1.72 13.73 71.07 6.91 6.47 9.79 3.78 0.00 0.80 1.16 75 W C H 136.20 9.12 13.01 22.74 99.21 58.39 -72.30 -27.22 61.87 0.95 37.18 24.29 11.42 27.81 28.23 7.18 0.03 0.40 0.63 76 G C T 38.34 5.79 16.60 23.21 97.76 52.97 -65.77 -29.58 63.73 0.61 35.65 17.58 14.03 33.02 28.51 6.17 0.02 0.25 0.42 77 N H H 65.82 6.93 17.13 25.12 97.97 64.91 -72.11 -37.52 48.08 1.50 50.42 30.69 10.75 8.27 44.92 3.97 0.02 0.54 0.84 78 I H H 40.19 15.19 15.07 30.58 92.95 52.85 -65.94 -42.24 5.38 0.06 94.55 2.02 1.09 2.34 93.63 0.86 0.01 0.03 0.02 79 N H H 68.44 7.85 17.54 26.16 91.82 52.01 -64.01 -41.49 1.78 0.01 98.20 0.53 0.25 0.94 97.64 0.62 0.00 0.01 0.00 80 Y H H 120.05 2.70 19.51 21.87 92.05 50.25 -64.33 -42.07 0.72 0.01 99.27 0.21 0.09 0.40 98.77 0.54 0.00 0.00 0.00 81 H H H 63.82 9.10 17.20 27.46 91.98 49.78 -64.54 -42.61 0.61 0.01 99.39 0.16 0.06 0.36 98.92 0.50 0.00 0.00 0.00 82 L H H 44.84 12.30 15.22 28.51 91.90 49.97 -64.33 -41.45 0.88 0.01 99.12 0.16 0.08 0.60 98.34 0.83 0.00 0.00 0.00 83 Q H H 95.13 3.84 17.39 21.92 91.69 51.78 -64.61 -39.41 2.45 0.01 97.55 0.21 0.15 1.97 95.72 1.93 0.00 0.00 0.00 84 R H H 128.90 3.62 16.66 20.95 92.31 52.33 -66.84 -35.76 8.56 0.01 91.43 0.46 0.43 7.57 88.51 3.00 0.01 0.00 0.01 85 L H H 67.08 10.09 13.43 24.44 94.34 53.66 -73.08 -27.40 20.30 0.09 79.62 1.83 2.00 16.54 76.36 3.12 0.05 0.03 0.06 86 T C H 68.05 7.78 12.20 21.15 100.50 52.99 -91.59 6.73 54.56 0.93 44.51 11.65 8.20 35.30 39.74 4.04 0.08 0.36 0.64 87 R C T 146.59 4.43 10.38 16.73 108.29 129.20 -77.15 124.70 82.22 1.08 16.70 14.00 12.00 56.08 12.27 4.36 0.02 0.47 0.79 88 G C T 60.04 1.79 11.30 14.08 103.00 11.22 72.91 10.91 90.14 0.70 9.16 22.68 10.39 57.93 4.90 3.35 0.00 0.35 0.38 89 R C C 147.84 4.27 7.99 14.26 111.55 137.18 -87.78 125.28 94.62 1.08 4.30 88.51 1.84 5.21 1.96 1.33 0.00 0.47 0.68 90 K C C 152.73 2.34 10.92 14.98 112.27 -142.46 -90.68 127.18 99.89 0.09 0.02 99.79 0.10 0.05 0.01 0.00 0.00 0.04 0.02