# 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 110.60 5.33 11.61 18.22 114.44 149.67 -91.88 136.18 99.40 0.36 0.24 99.14 0.24 0.15 0.16 0.03 0.00 0.18 0.10 1 A C C 71.00 3.71 9.23 14.46 104.12 -122.11 -75.91 89.63 71.03 4.49 24.49 65.76 1.65 4.81 20.00 3.41 0.00 2.45 1.92 2 K C H 148.33 1.85 9.28 12.32 98.46 61.21 -72.63 -29.45 50.53 5.25 44.22 30.82 9.13 11.65 33.21 10.10 0.07 3.62 1.39 3 S H H 75.81 2.53 8.82 12.80 100.29 58.47 -75.78 -24.17 46.43 4.93 48.64 27.59 8.11 11.42 34.74 13.39 0.06 3.45 1.24 4 A H H 78.32 2.16 9.70 13.11 99.55 60.04 -75.12 -25.58 42.15 3.79 54.05 24.29 8.28 10.47 39.78 13.60 0.06 2.44 1.08 5 R H H 158.58 2.12 10.47 13.67 101.66 56.78 -80.59 -12.27 47.74 4.37 47.89 27.65 10.36 11.40 37.76 8.70 0.08 2.63 1.42 6 S C C 57.11 4.74 8.96 15.61 105.08 76.72 -81.65 63.52 59.89 2.56 37.56 44.63 8.86 6.18 34.55 3.55 0.01 1.33 0.89 7 K H H 138.56 1.99 12.33 14.85 96.16 86.49 -69.25 -33.42 28.91 0.83 70.26 19.02 5.92 5.11 67.19 2.11 0.01 0.39 0.26 8 S H H 65.89 2.24 12.68 15.46 95.34 56.52 -68.00 -38.81 17.19 0.66 82.15 9.99 3.52 4.76 79.04 2.11 0.02 0.37 0.18 9 I H H 86.85 4.14 12.58 17.97 94.20 50.58 -67.95 -39.05 12.64 0.75 86.62 8.10 2.07 3.47 83.67 2.01 0.02 0.48 0.17 10 R H H 128.99 3.07 14.09 18.05 93.14 52.75 -65.86 -40.91 8.19 0.43 91.38 5.05 1.34 2.50 89.30 1.43 0.01 0.26 0.11 11 R H H 141.42 1.62 15.85 16.86 92.67 50.41 -65.47 -40.39 5.87 0.22 93.91 2.98 0.90 2.25 92.80 0.87 0.01 0.12 0.06 12 N H H 78.63 3.45 14.93 19.22 92.49 50.04 -65.67 -40.36 4.43 0.13 95.44 2.03 0.67 1.88 94.68 0.62 0.02 0.06 0.04 13 K H H 98.07 4.95 14.84 20.91 92.34 51.05 -65.37 -40.24 2.49 0.07 97.44 1.00 0.37 1.15 97.01 0.40 0.01 0.04 0.02 14 K H H 105.94 2.46 16.40 18.93 92.02 51.22 -64.64 -41.32 2.11 0.07 97.81 0.77 0.30 1.07 97.41 0.38 0.01 0.03 0.01 15 V H H 73.41 2.60 16.02 18.79 91.97 49.60 -64.34 -42.02 2.10 0.07 97.83 0.72 0.31 1.10 97.42 0.39 0.02 0.03 0.02 16 L H H 68.83 5.55 13.77 20.85 92.35 50.20 -64.89 -40.97 2.74 0.08 97.18 0.88 0.39 1.50 96.65 0.49 0.02 0.03 0.02 17 R H H 120.12 4.72 14.03 19.99 92.55 50.57 -65.88 -38.90 4.45 0.09 95.46 1.04 0.57 2.84 94.74 0.70 0.04 0.04 0.03 18 E H H 127.20 1.75 15.16 16.67 93.81 48.43 -71.00 -35.65 7.97 0.09 91.94 0.85 0.84 6.26 91.00 0.84 0.12 0.03 0.05 19 N H H 103.90 1.98 15.48 17.02 102.05 32.17 -92.78 -34.11 26.75 0.18 73.07 1.15 2.35 23.63 70.87 1.55 0.24 0.06 0.14 20 V C T 79.79 4.13 14.50 19.28 101.95 29.78 -88.96 -41.28 72.64 0.18 27.18 1.27 4.73 64.54 27.18 2.01 0.04 0.06 0.17 21 F H H 80.47 8.40 12.97 22.64 99.03 36.00 -92.20 -20.20 39.19 0.15 60.66 3.70 3.15 31.70 56.43 4.77 0.07 0.05 0.12 22 Q H H 84.00 4.92 14.26 20.94 92.16 80.01 -59.96 -43.88 1.38 0.00 98.61 0.39 0.14 0.58 98.60 0.29 0.00 0.00 0.00 23 P H H 76.43 2.10 17.20 18.72 91.83 49.79 -64.36 -39.96 0.74 0.00 99.25 0.16 0.06 0.41 99.10 0.28 0.00 0.00 0.00 24 V H H 63.42 4.92 16.32 22.27 92.34 49.28 -65.08 -42.16 0.21 0.00 99.79 0.04 0.01 0.11 99.68 0.15 0.00 0.00 0.00 25 I H H 64.51 6.40 15.23 23.20 91.68 49.70 -63.69 -42.45 0.12 0.00 99.88 0.02 0.01 0.06 99.86 0.04 0.00 0.00 0.00 26 D H H 80.56 2.17 17.84 19.42 91.70 49.69 -63.77 -41.40 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 27 E H H 95.45 2.33 17.07 19.15 91.78 50.01 -64.65 -41.21 0.17 0.00 99.83 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 28 R H H 104.31 5.15 15.62 21.76 92.08 50.09 -65.02 -40.94 0.20 0.00 99.80 0.02 0.01 0.13 99.83 0.02 0.00 0.00 0.00 29 T H H 68.05 3.87 15.88 20.62 91.78 50.50 -64.52 -40.94 0.22 0.00 99.78 0.03 0.01 0.13 99.81 0.02 0.00 0.00 0.00 30 K H H 129.05 1.53 17.17 17.71 91.81 49.97 -65.13 -40.52 0.22 0.00 99.77 0.03 0.01 0.13 99.81 0.02 0.00 0.00 0.00 31 R H H 127.85 2.33 16.25 18.49 92.05 49.63 -64.71 -41.67 0.25 0.00 99.75 0.03 0.01 0.15 99.78 0.02 0.00 0.00 0.00 32 L H H 79.10 3.87 15.26 19.84 91.95 49.49 -64.33 -41.87 0.23 0.00 99.77 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 33 S H H 53.71 2.73 15.42 18.66 91.58 50.86 -63.68 -40.95 0.38 0.00 99.62 0.04 0.02 0.24 99.65 0.06 0.00 0.00 0.00 34 A H H 56.99 2.11 15.61 17.65 91.58 51.16 -64.50 -40.52 1.02 0.00 98.98 0.07 0.04 0.75 98.97 0.16 0.00 0.00 0.00 35 H H H 111.24 2.31 14.96 17.25 92.08 50.44 -65.28 -40.12 2.84 0.01 97.16 0.22 0.15 2.19 97.03 0.41 0.00 0.00 0.00 36 L H H 90.97 2.93 13.48 17.09 92.21 50.71 -66.31 -38.71 5.34 0.03 94.63 0.98 0.52 3.57 93.96 0.95 0.01 0.01 0.01 37 R H H 142.18 1.94 13.62 15.83 92.13 53.05 -64.79 -39.86 5.03 0.06 94.91 1.48 0.64 2.94 92.76 2.12 0.01 0.03 0.02 38 D H H 91.06 1.64 13.57 14.95 92.55 51.41 -66.71 -39.25 8.96 0.10 90.94 2.07 0.97 5.90 88.07 2.86 0.03 0.05 0.03 39 Q H H 108.13 2.13 12.19 14.80 93.23 51.20 -67.90 -37.88 12.07 0.15 87.78 3.54 1.58 7.21 84.51 2.99 0.03 0.08 0.06 40 V H H 90.84 2.78 10.69 14.65 94.38 51.94 -69.50 -35.40 18.52 0.39 81.09 8.74 3.45 7.64 76.16 3.62 0.03 0.19 0.17 41 N H H 113.42 1.68 11.25 13.44 95.12 55.63 -72.86 -26.09 31.91 0.50 67.59 12.08 5.05 15.81 62.20 4.34 0.05 0.24 0.23 42 D H H 110.45 1.61 10.64 12.87 100.27 55.88 -84.87 -4.38 47.39 0.73 51.88 20.27 8.96 19.47 45.82 4.75 0.04 0.32 0.38 43 L C C 111.45 3.19 8.18 13.20 107.00 100.90 -81.62 91.51 60.79 1.12 38.09 40.93 9.44 10.16 33.96 4.44 0.01 0.49 0.57 44 T C C 99.92 2.22 9.23 12.91 110.54 69.09 -91.24 124.34 71.62 1.51 26.87 53.99 7.46 8.94 24.64 3.46 0.00 0.72 0.79 45 K C C 148.19 2.13 9.14 12.80 110.42 -134.36 -84.88 122.55 74.52 1.43 24.05 49.61 11.79 12.53 20.38 4.23 0.00 0.66 0.79 46 S C C 78.43 2.91 8.74 13.30 111.44 -139.60 -87.35 128.49 77.45 1.37 21.18 48.02 15.09 14.17 16.38 4.91 0.00 0.62 0.80 47 S C C 83.79 2.36 9.39 13.14 104.15 -126.62 -83.90 9.90 71.49 1.38 27.12 41.49 16.63 13.76 19.63 7.06 0.01 0.62 0.80 48 S C C 75.74 2.97 9.01 13.52 105.52 83.13 -84.84 28.98 64.71 1.61 33.68 37.31 14.24 13.75 23.74 9.34 0.01 0.76 0.85 49 S C C 75.38 2.98 9.61 14.06 103.76 64.82 -80.72 16.79 59.88 2.08 38.04 37.92 10.81 11.56 27.29 10.35 0.02 1.05 1.01 50 K C C 139.46 2.58 9.87 13.84 100.02 56.95 -76.95 -19.00 55.96 2.36 41.68 35.49 10.25 10.83 31.16 9.97 0.03 1.22 1.06 51 E C C 127.06 2.81 10.21 14.33 100.07 56.96 -80.43 -6.25 54.81 1.92 43.27 35.65 9.19 10.50 33.53 9.25 0.02 1.01 0.85 52 E C H 128.01 2.71 10.87 14.79 104.10 55.46 -80.36 39.05 55.51 1.39 43.10 28.21 10.66 17.76 33.38 8.57 0.04 0.68 0.70 53 G C C 43.30 3.64 11.32 16.19 106.40 50.74 -65.21 -22.83 61.32 1.40 37.28 32.68 10.62 19.01 29.01 7.26 0.02 0.68 0.71 54 I C H 102.00 3.61 10.63 15.57 101.97 56.35 -76.93 -22.87 52.18 2.39 45.43 34.69 9.79 8.87 38.25 6.18 0.02 1.18 1.04 55 A C H 68.59 3.26 11.07 15.49 100.43 54.77 -76.05 -24.65 51.41 2.21 46.38 34.07 8.38 9.86 39.85 5.76 0.02 1.16 0.90 56 D H H 99.78 2.92 11.06 15.05 100.00 55.90 -76.38 -20.17 48.07 1.60 50.33 29.80 8.90 10.87 42.18 6.74 0.02 0.82 0.67 57 N H H 108.60 2.52 10.68 14.36 98.24 58.65 -77.38 -15.02 46.00 1.41 52.58 25.87 9.34 12.54 43.46 7.43 0.03 0.72 0.60 58 S H H 71.76 2.94 10.40 14.60 101.78 64.52 -79.16 -11.39 46.30 1.82 51.88 28.54 8.31 11.12 42.63 7.66 0.03 0.96 0.76 59 L H H 108.47 3.56 9.26 14.40 102.32 67.05 -79.00 -5.83 45.92 2.33 51.74 29.97 8.16 9.41 43.25 7.01 0.03 1.26 0.90 60 K C H 141.48 2.39 10.48 14.14 105.04 77.24 -83.38 23.89 52.48 2.67 44.85 35.57 7.88 9.79 38.69 5.57 0.02 1.48 1.00 61 E C C 130.93 2.64 10.79 14.80 108.52 69.91 -87.20 109.04 60.94 2.69 36.37 44.66 7.94 8.01 32.74 4.15 0.01 1.48 1.01 62 V C C 87.96 5.06 8.87 15.66 111.23 -155.04 -90.09 129.98 68.01 2.43 29.56 52.07 7.57 7.14 28.02 2.92 0.00 1.28 1.00 63 S C C 67.82 3.09 11.16 15.51 112.08 -130.75 -84.77 142.82 71.31 1.65 27.04 53.41 8.18 8.46 25.23 3.11 0.00 0.80 0.81 64 S H H 80.76 2.83 10.31 14.52 97.70 -111.10 -70.20 -30.03 49.33 1.21 49.45 27.47 11.06 12.38 40.35 7.57 0.03 0.57 0.58 65 S H H 79.98 1.77 11.22 13.59 96.28 58.42 -72.38 -27.83 44.80 1.28 53.92 23.31 9.50 13.67 43.27 8.98 0.04 0.66 0.57 66 E H H 112.34 3.20 10.86 15.34 96.70 57.19 -76.94 -26.40 40.94 1.94 57.12 25.49 7.62 9.71 46.37 8.96 0.03 1.06 0.75 67 V H H 82.31 4.67 9.80 16.01 97.65 61.44 -72.89 -33.60 39.47 1.87 58.66 25.81 7.30 8.56 49.52 7.06 0.03 0.98 0.74 68 S H H 75.55 2.47 11.40 14.82 97.26 56.97 -72.96 -28.68 45.58 1.33 53.09 27.50 7.90 11.91 44.78 6.64 0.02 0.68 0.57 69 D C H 107.07 1.94 11.22 14.00 98.03 57.13 -78.20 -17.73 51.13 1.30 47.57 27.04 10.65 15.28 38.72 7.04 0.05 0.59 0.64 70 N C C 105.19 3.26 9.94 14.69 100.93 62.39 -83.71 0.36 58.77 1.41 39.82 34.69 11.11 14.15 32.13 6.52 0.02 0.63 0.76 71 V C C 100.76 3.38 9.53 14.47 104.68 94.70 -82.93 24.28 64.62 1.66 33.72 38.68 12.05 14.82 26.06 6.68 0.02 0.73 0.96 72 G C C 49.51 2.99 10.46 14.73 105.30 65.42 -77.57 3.77 75.59 1.47 22.95 47.60 11.68 16.40 15.82 6.92 0.01 0.69 0.87 73 M C C 125.03 3.08 9.18 13.78 105.12 86.91 -83.91 32.17 79.74 2.10 18.16 57.72 13.00 8.89 12.02 6.14 0.00 1.04 1.19 74 E C C 134.02 2.57 8.98 13.21 107.55 92.22 -84.87 101.99 83.29 3.95 12.76 69.92 7.05 5.93 8.77 4.00 0.00 2.07 2.26 75 V C C 104.70 3.33 7.95 13.07 108.70 79.69 -90.66 111.73 87.14 2.91 9.94 69.58 10.05 7.11 6.69 3.37 0.00 1.52 1.69 76 D C C 116.82 1.66 9.04 11.91 108.05 -126.37 -88.80 107.23 91.36 1.85 6.80 71.30 12.20 7.59 4.16 2.71 0.00 0.96 1.07 77 Q C C 127.38 2.75 8.21 12.86 115.96 -144.07 -93.71 133.76 96.63 1.23 2.14 68.36 26.21 2.12 1.36 0.76 0.00 0.57 0.62 78 P C C 103.83 2.52 8.74 13.09 112.88 -112.37 -72.85 143.21 95.97 1.70 2.33 84.85 8.24 3.00 1.18 1.02 0.00 1.08 0.63 79 K C C 158.06 1.87 8.88 12.40 114.94 -129.49 -90.36 131.20 87.37 10.32 2.31 79.40 5.79 1.90 1.24 1.02 0.00 5.98 4.65 80 V C C 105.09 3.62 7.72 13.40 116.78 -154.17 -99.64 133.08 84.91 13.57 1.52 79.39 4.21 1.26 0.86 0.65 0.00 8.78 4.85 81 S C C 82.49 2.55 9.80 14.14 117.20 -151.62 -98.33 138.25 85.06 13.16 1.79 78.13 4.75 1.87 0.97 0.79 0.00 9.27 4.22 82 T C C 102.37 3.33 8.77 13.92 104.95 -164.86 -97.30 10.34 87.69 9.38 2.93 61.94 18.56 7.27 1.33 1.58 0.00 6.32 3.00 83 S C C 84.73 2.24 9.11 12.89 109.08 124.72 -91.27 101.48 88.78 7.81 3.41 47.30 33.92 8.22 1.68 1.66 0.00 4.46 2.75 84 G C C 43.42 3.05 11.18 15.53 126.71 85.87 124.42 175.83 89.87 5.15 4.98 46.72 39.41 4.11 3.60 1.51 0.01 2.64 2.00 85 P C C 100.81 2.53 10.99 14.69 111.34 -46.12 -70.03 144.59 77.77 3.92 18.31 59.72 8.73 8.70 14.22 4.73 0.00 2.27 1.62 86 R C C 151.22 3.90 8.74 14.41 107.01 -130.76 -84.29 93.13 60.66 2.92 36.41 40.57 9.94 10.67 29.52 6.47 0.02 1.45 1.36 87 D H H 100.45 2.68 10.36 14.23 103.91 -125.77 -79.60 -3.02 46.30 1.67 52.03 24.24 11.11 12.69 41.29 9.07 0.05 0.85 0.70 88 N H H 110.49 2.16 11.41 14.17 97.30 53.98 -71.66 -23.58 39.73 1.12 59.15 16.83 9.61 15.04 49.52 7.86 0.07 0.58 0.49 89 N H H 83.71 4.10 10.95 16.58 96.63 55.89 -79.67 -8.62 36.47 0.93 62.59 22.61 6.05 9.39 56.08 5.00 0.02 0.45 0.41 90 R H H 119.98 5.03 11.20 17.89 93.64 76.81 -64.36 -38.42 9.28 0.18 90.54 5.04 1.81 3.22 87.80 1.98 0.01 0.09 0.06 91 N H H 98.79 1.93 13.88 15.88 93.05 52.73 -65.87 -39.19 6.52 0.15 93.33 2.91 1.14 3.00 90.97 1.84 0.01 0.09 0.04 92 K H H 118.66 1.83 14.74 16.25 92.99 50.68 -66.35 -40.00 5.16 0.16 94.68 2.50 0.92 2.30 92.48 1.65 0.01 0.10 0.04 93 W H H 113.99 4.10 13.15 18.71 93.00 50.19 -65.99 -41.32 3.50 0.11 96.39 1.70 0.60 1.53 95.00 1.06 0.01 0.06 0.03 94 A H H 51.13 3.97 13.14 18.60 92.50 51.63 -64.63 -41.11 3.53 0.10 96.38 1.51 0.51 1.68 95.20 1.02 0.01 0.06 0.02 95 K H H 117.58 1.94 14.76 16.61 92.48 50.62 -65.53 -40.07 4.97 0.11 94.91 1.82 0.74 2.59 93.40 1.34 0.01 0.06 0.03 96 K H H 113.35 2.14 14.33 16.62 92.65 50.50 -66.44 -39.56 7.74 0.16 92.11 2.78 1.24 4.09 90.04 1.70 0.02 0.08 0.05 97 H H H 102.52 3.50 12.70 17.44 93.30 50.60 -67.66 -38.02 13.31 0.27 86.42 5.04 2.23 6.81 83.32 2.33 0.03 0.13 0.11 98 L H H 95.96 3.04 12.16 16.35 93.76 52.69 -67.81 -36.09 21.85 0.47 77.68 9.28 3.72 9.74 73.74 3.05 0.03 0.23 0.20 99 K H H 137.72 1.63 12.75 14.44 95.79 52.42 -73.30 -30.16 36.01 0.72 63.28 17.74 5.89 13.64 58.58 3.47 0.03 0.33 0.34 100 K H H 131.71 2.40 11.48 14.76 97.83 57.80 -74.87 -27.68 46.88 0.79 52.33 22.75 9.31 15.75 48.09 3.33 0.02 0.31 0.44 101 G C C 43.14 3.76 10.32 15.47 102.91 55.29 -69.68 -29.34 62.02 0.74 37.24 35.47 10.47 15.89 33.57 3.87 0.00 0.31 0.43 102 K C H 141.03 2.31 10.44 13.84 99.49 61.25 -75.18 -28.98 54.11 1.05 44.84 33.50 10.61 10.59 37.86 6.41 0.01 0.44 0.58 103 R H H 157.69 2.20 10.23 13.56 100.03 59.85 -76.47 -22.89 48.97 1.36 49.66 30.17 9.30 10.31 39.99 8.91 0.02 0.64 0.66 104 A H H 73.34 2.94 9.82 14.17 100.62 63.92 -76.47 -19.05 48.40 1.35 50.26 30.69 8.28 10.02 39.54 10.17 0.01 0.68 0.60 105 K C H 139.86 2.56 10.01 13.83 102.21 61.86 -80.72 -3.71 53.34 1.42 45.24 34.24 8.36 11.33 35.42 9.26 0.01 0.69 0.68 106 N C C 110.01 2.72 9.66 13.74 104.07 65.15 -86.65 9.68 58.61 1.27 40.12 36.62 10.93 11.40 32.50 7.31 0.01 0.57 0.66 107 S C C 75.37 2.98 9.60 14.05 106.33 86.38 -84.74 47.94 61.27 1.23 37.50 37.90 12.00 11.74 30.05 7.10 0.01 0.57 0.63 108 N C C 114.40 2.32 9.88 13.43 105.39 58.82 -88.69 37.57 60.65 1.70 37.65 38.17 10.74 12.25 29.56 7.61 0.01 0.83 0.82 109 F C C 140.02 3.32 8.57 13.50 109.13 55.58 -92.52 108.54 57.01 2.59 40.40 35.22 11.35 11.23 31.60 8.08 0.03 1.27 1.22 110 S C C 78.58 2.68 8.96 13.21 110.40 65.34 -89.95 121.79 57.70 2.45 39.85 36.72 10.78 10.63 30.29 9.22 0.02 1.31 1.02 111 K C C 151.01 1.83 8.89 11.96 108.88 -142.82 -89.52 97.96 58.06 2.89 39.05 33.88 11.66 12.96 27.69 11.01 0.03 1.61 1.16 112 F C C 147.46 2.75 7.65 12.08 110.95 71.63 -90.80 115.86 61.97 3.48 34.55 36.81 12.70 12.92 23.11 11.04 0.03 2.03 1.36 113 L C C 122.10 2.44 7.28 11.50 113.05 -128.28 -90.98 126.24 69.74 4.41 25.85 45.51 12.30 11.99 17.16 8.65 0.02 2.80 1.58 114 K C C 156.51 1.58 7.41 10.58 113.71 -146.38 -91.99 133.47 78.26 6.57 15.17 53.04 16.65 8.58 9.55 5.54 0.01 4.60 2.02 115 K C C 160.11 1.51 7.06 10.19 112.48 -116.25 -84.43 134.05 86.75 5.91 7.34 79.01 2.49 5.77 4.37 2.25 0.00 3.96 2.14 116 K C C 155.43 2.07 8.97 12.70 110.01 -135.82 -85.88 126.28 99.74 0.18 0.08 99.47 0.21 0.14 0.04 0.01 0.00 0.10 0.03