# 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 110.08 5.69 11.16 18.20 115.93 -153.44 -95.77 138.46 99.71 0.18 0.11 99.57 0.14 0.08 0.07 0.01 0.00 0.08 0.04 1 A C C 73.66 3.48 9.18 14.22 106.82 -122.24 -78.61 128.94 74.77 2.82 22.41 69.78 1.39 5.16 17.28 3.60 0.00 1.49 1.30 2 K C C 152.61 1.82 8.98 12.10 100.20 58.42 -75.92 -20.44 56.52 3.21 40.27 34.91 9.99 12.37 29.45 10.19 0.04 1.82 1.22 3 S C H 78.19 2.47 8.56 12.52 103.33 61.27 -79.29 8.80 50.92 2.89 46.20 31.26 8.64 11.39 31.98 13.98 0.03 1.66 1.06 4 L H H 116.59 2.47 9.57 13.43 100.34 61.34 -77.74 -17.53 42.41 2.67 54.92 23.51 8.74 10.99 39.69 14.54 0.05 1.53 0.94 5 R H H 151.24 2.74 10.57 14.65 101.50 65.47 -81.23 -3.13 47.63 2.72 49.65 26.85 10.09 11.91 38.10 10.45 0.06 1.44 1.09 6 A C C 57.36 4.94 9.76 16.50 105.74 63.56 -78.72 70.69 56.31 1.28 42.40 40.49 9.35 6.55 38.44 4.05 0.00 0.57 0.54 7 S H H 71.91 2.61 12.67 16.06 97.35 89.08 -69.06 -33.66 24.99 0.43 74.58 16.65 4.75 4.64 71.61 2.00 0.01 0.19 0.15 8 S H H 67.59 2.41 13.19 16.02 94.60 54.61 -67.88 -38.79 13.79 0.29 85.92 7.87 2.57 4.20 83.24 1.87 0.01 0.15 0.10 9 H H H 109.55 3.67 13.59 18.23 93.72 50.57 -67.36 -39.50 8.57 0.26 91.17 5.07 1.41 2.75 88.94 1.59 0.01 0.14 0.07 10 L H H 89.06 3.53 14.31 18.78 93.04 51.58 -65.70 -40.52 4.87 0.14 95.00 2.66 0.79 1.74 93.75 0.95 0.01 0.07 0.04 11 N H H 94.09 2.10 16.12 17.99 92.61 50.48 -65.80 -40.43 3.63 0.08 96.28 1.69 0.51 1.50 95.60 0.63 0.01 0.04 0.02 12 A H H 52.73 3.65 14.64 19.28 92.33 50.73 -64.86 -40.68 3.16 0.07 96.77 1.24 0.42 1.49 96.16 0.62 0.01 0.03 0.02 13 K H H 104.48 3.56 15.27 19.69 92.51 50.85 -65.66 -40.01 3.00 0.06 96.94 1.03 0.41 1.52 96.32 0.66 0.02 0.03 0.02 14 S H H 51.67 2.98 15.07 18.79 92.06 51.62 -64.92 -41.01 4.34 0.10 95.57 1.39 0.59 2.37 94.62 0.93 0.03 0.05 0.03 15 V H H 77.84 2.91 14.67 18.23 92.32 50.53 -65.76 -40.28 5.95 0.15 93.90 1.94 0.91 3.28 92.52 1.19 0.03 0.08 0.05 16 K H H 114.23 4.04 13.17 18.34 92.72 51.57 -66.52 -36.69 10.21 0.20 89.58 2.93 1.45 6.07 87.52 1.79 0.04 0.10 0.09 17 R H H 146.43 3.01 12.73 16.72 93.97 52.87 -72.63 -27.73 19.98 0.27 79.75 4.16 2.61 13.49 77.25 2.15 0.06 0.12 0.14 18 R H H 163.67 1.66 13.51 15.28 98.61 54.31 -82.79 -13.37 39.01 0.39 60.60 6.14 8.03 25.35 57.81 2.14 0.11 0.13 0.28 19 G C T 41.58 3.32 13.40 17.58 113.56 19.38 -20.66 -157.09 64.57 0.57 34.87 12.33 18.08 34.52 28.70 5.65 0.06 0.20 0.45 20 V C T 97.27 2.90 13.16 16.79 94.57 -6.12 -70.24 -30.37 68.24 0.35 31.41 6.58 8.43 52.53 24.85 7.09 0.05 0.16 0.31 21 F C H 92.15 7.84 11.27 20.48 96.94 49.41 -91.11 -5.01 51.36 0.25 48.38 8.11 3.97 38.98 41.32 7.28 0.03 0.10 0.20 22 Q H H 90.58 5.15 13.43 20.40 93.03 96.64 -60.72 -42.49 3.14 0.01 96.85 1.23 0.38 1.20 96.49 0.69 0.00 0.00 0.00 23 K H H 139.49 1.27 17.32 17.28 91.93 49.77 -65.32 -39.39 1.44 0.00 98.56 0.42 0.14 0.74 98.25 0.44 0.00 0.00 0.00 24 A H H 47.46 4.46 15.70 21.38 92.58 49.45 -65.12 -41.71 0.66 0.00 99.33 0.19 0.06 0.33 99.11 0.31 0.00 0.00 0.00 25 V H H 49.48 7.30 14.47 23.57 91.93 49.89 -63.91 -42.53 0.32 0.00 99.68 0.09 0.02 0.15 99.67 0.07 0.00 0.00 0.00 26 D H H 78.65 2.41 17.97 20.03 91.71 50.17 -63.64 -41.50 0.25 0.00 99.75 0.05 0.01 0.12 99.79 0.02 0.00 0.00 0.00 27 A H H 52.76 2.46 17.05 19.45 91.71 50.40 -63.92 -41.34 0.21 0.00 99.79 0.03 0.01 0.12 99.82 0.02 0.00 0.00 0.00 28 R H H 104.57 5.15 15.94 22.18 91.95 49.91 -65.18 -40.83 0.19 0.00 99.81 0.03 0.01 0.11 99.84 0.02 0.00 0.00 0.00 29 E H H 93.81 4.36 15.88 21.18 91.86 50.70 -64.11 -40.67 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.01 0.00 0.00 0.00 30 Q H H 112.06 1.53 17.27 17.65 91.78 50.05 -65.21 -40.37 0.27 0.00 99.73 0.03 0.01 0.16 99.78 0.02 0.00 0.00 0.00 31 R H H 130.31 2.10 16.26 18.11 92.12 50.19 -64.78 -41.64 0.36 0.00 99.64 0.05 0.02 0.21 99.69 0.03 0.00 0.00 0.00 32 I H H 80.60 3.68 15.16 19.76 91.95 49.61 -64.68 -41.77 0.21 0.00 99.79 0.04 0.01 0.11 99.81 0.03 0.00 0.00 0.00 33 S H H 54.14 2.49 15.45 18.34 91.40 50.21 -63.51 -41.33 0.22 0.00 99.78 0.04 0.01 0.12 99.81 0.03 0.00 0.00 0.00 34 D H H 82.17 1.77 16.36 17.42 91.64 50.24 -64.82 -41.04 0.33 0.00 99.67 0.04 0.02 0.20 99.71 0.04 0.00 0.00 0.00 35 K H H 111.59 2.24 15.54 17.78 91.99 50.19 -65.23 -40.73 0.47 0.00 99.53 0.05 0.02 0.29 99.58 0.06 0.00 0.00 0.00 36 L H H 87.69 2.62 14.73 17.91 91.87 50.83 -64.48 -40.98 0.61 0.00 99.38 0.13 0.04 0.33 99.42 0.08 0.00 0.00 0.00 37 K H H 121.51 1.74 15.61 16.98 91.86 50.24 -64.59 -40.88 0.65 0.00 99.35 0.12 0.04 0.36 99.39 0.09 0.00 0.00 0.00 38 E H H 107.18 1.79 15.56 16.91 91.81 50.24 -64.64 -41.39 0.99 0.00 99.01 0.16 0.06 0.59 99.06 0.12 0.00 0.00 0.00 39 D H H 80.79 2.10 15.25 17.29 91.97 49.80 -65.15 -40.53 1.68 0.01 98.31 0.40 0.14 0.92 98.33 0.21 0.00 0.00 0.00 40 L H H 85.35 2.36 14.48 17.27 92.02 50.58 -64.98 -40.49 2.23 0.01 97.75 0.62 0.21 1.19 97.63 0.34 0.00 0.00 0.00 41 L H H 89.52 2.15 14.48 16.86 92.03 50.63 -65.10 -40.41 3.07 0.02 96.90 0.91 0.33 1.61 96.74 0.41 0.00 0.01 0.00 42 K H H 122.24 1.65 14.92 16.19 92.23 51.33 -65.41 -40.37 3.83 0.03 96.13 1.22 0.49 1.93 95.79 0.54 0.00 0.01 0.01 43 Q H H 101.27 1.83 14.37 16.05 92.20 50.44 -65.76 -39.83 5.91 0.07 94.02 2.27 0.70 2.78 93.52 0.67 0.01 0.03 0.02 44 K H H 116.60 1.99 14.12 16.23 92.47 50.70 -65.50 -39.95 6.24 0.09 93.67 3.06 0.76 2.43 92.94 0.74 0.00 0.05 0.03 45 L H H 90.94 2.21 13.73 16.34 92.11 50.64 -65.06 -40.86 3.98 0.07 95.95 1.99 0.50 1.51 95.24 0.70 0.00 0.04 0.02 46 E H H 109.60 1.54 14.61 15.59 91.93 50.52 -65.16 -40.48 3.53 0.06 96.42 1.40 0.41 1.63 95.80 0.71 0.00 0.03 0.01 47 D H H 82.92 1.87 14.03 15.88 92.18 50.38 -65.79 -39.98 4.00 0.06 95.94 1.45 0.49 1.99 95.24 0.77 0.01 0.03 0.01 48 L H H 86.44 2.56 12.52 16.02 92.23 51.41 -65.26 -40.09 3.88 0.07 96.05 1.47 0.52 1.88 95.27 0.81 0.01 0.03 0.02 49 K H H 123.75 1.61 13.38 14.87 92.24 51.56 -65.63 -39.35 5.06 0.10 94.84 2.01 0.67 2.45 93.74 1.03 0.01 0.06 0.02 50 K H H 124.29 1.41 12.61 13.75 92.82 50.83 -66.12 -39.02 7.46 0.18 92.36 2.80 1.04 3.84 90.70 1.45 0.01 0.10 0.05 51 K H H 121.86 1.91 11.11 13.70 92.87 50.98 -67.23 -37.50 11.24 0.27 88.50 4.57 1.72 5.41 86.17 1.87 0.02 0.15 0.09 52 E H H 127.90 1.69 10.46 12.92 93.36 52.37 -68.03 -35.42 18.44 0.31 81.26 7.69 2.64 8.46 78.48 2.42 0.02 0.16 0.12 53 E H H 144.91 1.07 10.26 11.50 94.37 53.29 -71.44 -27.17 32.74 0.40 66.86 11.93 4.67 16.49 64.01 2.51 0.02 0.18 0.19 54 Q C H 135.23 1.25 9.86 11.50 97.39 53.90 -84.74 -6.57 60.77 0.44 38.79 20.01 10.44 29.73 36.74 2.62 0.02 0.16 0.26 55 G C C 54.84 2.07 9.71 13.13 105.43 -113.29 70.92 47.71 88.64 0.47 10.89 42.73 13.71 32.43 7.95 2.71 0.00 0.20 0.28 56 I C C 117.19 2.90 8.31 12.97 113.94 138.68 -93.54 133.69 86.68 1.33 11.99 65.30 12.65 8.50 8.29 3.84 0.00 0.62 0.81 57 D C C 109.69 2.08 10.00 13.43 113.05 -138.25 -87.91 130.61 85.79 2.00 12.21 69.63 8.16 7.79 8.61 3.71 0.00 1.06 1.05 58 M C C 114.09 4.68 8.17 14.55 110.41 -155.84 -90.63 118.01 83.30 1.94 14.76 66.80 10.70 5.59 11.44 3.50 0.00 0.98 0.99 59 D C C 98.16 2.28 10.37 13.72 108.73 -131.03 -85.39 111.05 83.18 1.58 15.24 73.91 4.89 4.32 12.66 2.61 0.00 0.78 0.83 60 V C C 94.66 3.76 8.70 14.00 98.85 -137.58 -73.02 -29.31 53.12 1.07 45.81 38.25 6.74 8.93 36.45 8.59 0.00 0.56 0.48 61 D H H 105.04 1.81 10.15 12.84 96.14 61.05 -71.29 -27.46 47.18 0.91 51.91 29.60 7.25 11.06 40.73 10.48 0.01 0.48 0.40 62 E H H 128.62 2.03 9.77 12.87 96.49 59.32 -73.64 -23.67 43.31 0.92 55.78 26.07 7.70 10.45 43.87 11.03 0.01 0.47 0.40 63 K H H 134.78 2.51 9.39 13.25 99.98 61.48 -78.71 -12.61 49.23 1.03 49.75 32.59 7.77 9.96 41.07 7.61 0.01 0.49 0.49 64 K C C 134.86 2.63 9.08 13.18 105.32 79.67 -82.36 32.30 56.70 1.09 42.21 38.59 9.01 9.66 36.22 5.45 0.01 0.48 0.59 65 S C C 77.54 2.59 9.11 13.12 107.01 74.75 -83.30 94.26 62.62 0.96 36.42 39.98 9.93 12.93 30.15 6.03 0.00 0.42 0.55 66 N C C 113.91 2.47 8.63 12.62 105.69 53.09 -85.10 54.54 65.62 1.14 33.24 39.88 11.96 14.39 25.01 7.54 0.01 0.48 0.73 67 E C C 141.66 2.03 8.45 11.91 104.36 107.63 -83.57 21.15 70.81 1.10 28.09 43.38 13.25 14.57 20.51 7.09 0.00 0.46 0.74 68 E C C 143.49 1.75 8.68 11.74 106.07 73.06 -87.53 54.89 77.75 1.00 21.25 50.55 13.75 13.41 14.94 6.20 0.00 0.41 0.73 69 A C C 69.99 3.85 7.52 13.20 114.59 112.47 -83.55 141.46 86.19 0.73 13.08 57.85 22.20 6.26 8.92 3.94 0.00 0.28 0.55 70 P C C 102.85 2.37 8.59 12.59 110.34 -107.57 -72.64 141.84 87.37 0.74 11.89 72.34 8.25 6.96 7.03 4.58 0.00 0.36 0.47 71 R C C 180.80 1.64 8.60 11.58 109.52 -125.93 -84.96 123.50 88.82 1.27 9.91 71.74 11.39 5.76 5.74 3.96 0.00 0.60 0.82 72 K C C 149.17 2.24 8.18 12.25 113.48 -139.73 -90.43 129.90 92.54 1.78 5.69 81.40 8.30 3.08 3.27 2.12 0.00 0.97 0.86 73 K C C 156.52 1.77 8.93 12.34 114.71 -145.25 -95.20 127.32 90.36 6.26 3.38 83.52 5.20 1.75 2.12 1.18 0.00 3.34 2.87 74 I C C 113.43 4.41 7.83 14.27 117.15 -156.27 -101.98 133.37 90.13 7.87 2.00 86.10 3.43 1.08 1.29 0.63 0.00 4.46 3.01 75 S C C 77.03 3.05 10.58 15.34 117.93 -150.51 -98.62 139.45 89.70 7.84 2.46 84.65 3.60 1.65 1.59 0.78 0.00 4.67 3.06 76 T C C 96.13 4.52 9.24 15.44 102.43 -163.48 -97.56 7.04 86.90 6.25 6.85 65.80 13.69 7.09 4.56 2.49 0.00 3.53 2.83 77 S C C 78.94 2.89 9.77 14.22 108.64 112.63 -87.07 110.51 82.96 5.33 11.71 50.81 20.59 11.55 8.19 3.67 0.02 2.70 2.48 78 G C C 46.98 2.90 11.78 15.86 119.66 77.71 84.84 -159.92 74.43 3.48 22.10 38.17 24.62 12.25 15.76 5.95 0.03 1.74 1.47 79 W C C 174.49 2.91 10.71 14.90 108.61 -34.83 -80.05 125.43 62.83 3.08 34.09 39.65 11.52 12.27 25.85 7.77 0.03 1.58 1.34 80 R C H 148.43 3.89 9.53 15.06 107.32 -120.57 -82.88 76.30 52.20 2.25 45.55 28.72 10.88 14.00 35.82 8.40 0.05 1.12 1.02 81 D H H 101.70 2.59 11.23 14.84 102.56 26.82 -73.61 -12.86 48.56 1.37 50.08 23.59 10.52 15.96 39.63 8.94 0.05 0.66 0.65 82 G H H 42.78 3.60 11.03 15.91 97.89 57.78 -71.74 -23.24 46.22 0.98 52.80 20.56 11.31 15.96 44.33 6.86 0.04 0.45 0.48 83 R H H 131.80 3.77 11.51 16.62 97.81 64.10 -76.01 -19.29 35.05 0.68 64.27 20.70 6.57 9.03 59.24 3.83 0.02 0.29 0.32 84 H H H 102.04 4.38 11.78 17.70 94.66 77.38 -65.01 -39.09 10.69 0.18 89.13 6.33 2.00 3.06 86.74 1.72 0.00 0.09 0.06 85 H H H 117.90 2.17 13.92 16.32 93.45 52.55 -67.02 -38.89 6.62 0.15 93.23 3.59 1.12 2.43 91.22 1.52 0.00 0.08 0.04 86 T H H 75.16 2.49 14.07 16.99 93.38 50.74 -66.68 -40.75 4.86 0.12 95.02 2.58 0.83 1.83 93.46 1.20 0.01 0.07 0.03 87 Y H H 115.25 3.29 13.11 17.57 93.28 50.00 -65.77 -41.30 3.68 0.09 96.23 1.86 0.59 1.46 95.08 0.93 0.01 0.05 0.02 88 K H H 111.63 2.59 13.73 17.03 92.75 50.74 -65.33 -40.38 3.47 0.08 96.45 1.50 0.51 1.59 95.39 0.94 0.01 0.04 0.02 89 K H H 117.29 2.11 14.13 16.49 92.78 50.43 -66.35 -39.38 4.15 0.07 95.78 1.41 0.57 2.17 94.53 1.25 0.01 0.03 0.02 90 A H H 55.54 2.97 13.02 17.12 92.83 52.35 -65.79 -38.70 7.57 0.08 92.35 2.17 1.00 4.42 90.50 1.82 0.01 0.04 0.03 91 K H H 120.80 2.41 12.87 16.00 93.67 51.65 -68.51 -35.39 15.27 0.13 84.60 3.52 1.93 9.99 81.66 2.74 0.03 0.06 0.07 92 L H H 96.29 2.60 11.62 15.24 94.55 55.41 -69.32 -34.24 23.15 0.28 76.57 7.64 4.19 12.18 72.05 3.63 0.04 0.13 0.15 93 M H H 117.96 2.17 11.41 14.38 97.39 57.31 -72.47 -30.88 30.61 0.60 68.79 16.45 6.24 9.17 63.45 4.14 0.02 0.26 0.27 94 K H H 133.70 2.01 10.85 13.69 98.98 58.61 -75.62 -23.88 36.25 0.72 63.03 21.86 6.20 9.02 57.95 4.30 0.01 0.33 0.31 95 Q H H 118.10 2.44 9.90 13.58 99.29 66.11 -75.44 -22.85 39.12 0.71 60.17 21.99 6.93 11.08 54.12 5.20 0.02 0.32 0.34 96 S H H 76.41 2.45 9.15 12.95 101.42 59.66 -79.78 -11.65 46.92 0.75 52.33 26.12 9.00 12.65 45.07 6.42 0.02 0.32 0.40 97 K C H 149.01 1.66 9.02 11.75 103.26 75.58 -81.88 5.17 54.71 0.89 44.40 32.20 9.71 13.15 36.82 7.24 0.01 0.39 0.48 98 K C C 149.41 1.76 8.46 11.46 106.45 61.93 -86.23 54.23 63.04 1.05 35.91 39.45 10.18 13.17 29.04 7.11 0.01 0.46 0.58 99 K C C 147.91 2.02 8.09 11.62 109.09 73.80 -90.44 102.61 67.08 1.19 31.73 44.77 11.22 10.84 24.55 7.41 0.00 0.51 0.68 100 T C C 102.04 2.22 7.85 11.70 111.27 64.96 -92.32 118.44 68.40 1.34 30.26 44.26 10.95 13.13 21.25 9.03 0.01 0.64 0.73 101 S C C 83.45 2.24 7.74 11.60 113.24 -148.43 -94.36 128.87 70.28 1.84 27.88 41.25 13.47 15.92 16.81 10.69 0.01 0.92 0.93 102 F C C 163.13 1.80 7.24 10.58 110.63 -156.45 -95.81 107.44 72.69 3.50 23.81 42.02 15.50 15.68 13.02 10.31 0.02 1.95 1.50 103 T C C 104.81 1.96 6.98 10.70 114.05 106.13 -97.42 127.60 78.66 5.03 16.31 51.60 15.27 11.99 8.46 7.64 0.01 3.27 1.76 104 R C C 181.39 1.32 7.37 10.14 112.77 -155.82 -95.56 125.22 87.95 4.58 7.47 75.34 5.24 7.95 3.62 3.12 0.00 3.14 1.59 105 F C C 149.31 3.25 9.00 14.04 111.45 -146.86 -94.42 123.36 99.80 0.15 0.04 99.54 0.21 0.12 0.02 0.01 0.00 0.08 0.03