# 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 104.83 5.77 11.86 18.96 110.17 -165.11 -87.82 127.77 99.11 0.21 0.68 98.80 0.20 0.24 0.55 0.05 0.00 0.09 0.06 1 A C C 70.98 3.50 10.17 15.15 101.08 -129.84 -72.57 -22.59 58.91 0.83 40.26 53.24 1.17 4.90 38.16 1.82 0.00 0.39 0.32 2 T H H 94.58 2.18 9.85 13.13 98.74 61.23 -72.64 -30.84 41.40 0.90 57.70 29.46 5.37 7.36 53.87 3.17 0.01 0.43 0.34 3 R H H 150.68 2.28 10.90 14.24 96.32 56.73 -71.09 -32.94 26.00 0.85 73.15 16.84 4.48 6.64 66.89 4.39 0.01 0.46 0.29 4 N H H 88.50 3.51 11.05 15.93 95.76 56.71 -68.88 -36.44 18.77 0.58 80.65 12.43 3.10 4.85 74.84 4.26 0.01 0.34 0.18 5 A H H 62.97 3.07 11.96 16.26 93.91 56.02 -66.47 -37.72 10.98 0.36 88.67 6.56 1.77 3.53 83.58 4.22 0.01 0.24 0.09 6 L H H 100.17 2.34 13.10 16.01 93.26 52.70 -67.50 -38.14 10.07 0.43 89.50 5.28 1.56 3.89 84.47 4.37 0.01 0.31 0.10 7 R H H 129.40 3.15 13.06 17.20 93.26 52.52 -67.39 -39.30 11.56 0.65 87.79 5.94 1.80 4.64 83.10 3.86 0.02 0.49 0.14 8 I H H 87.88 4.28 12.52 18.20 93.13 52.11 -66.07 -40.02 11.48 0.70 87.82 6.35 1.99 4.22 83.43 3.34 0.03 0.49 0.16 9 V H H 90.18 2.62 13.54 16.84 93.08 51.19 -66.60 -39.38 12.43 0.70 86.87 6.91 1.97 4.54 81.17 4.70 0.02 0.53 0.15 10 S H H 65.57 2.79 12.94 16.41 93.55 52.13 -67.84 -36.26 15.97 0.59 83.44 7.53 2.34 6.84 75.00 7.67 0.03 0.42 0.17 11 R H H 136.62 3.50 11.86 16.61 94.15 55.39 -69.27 -32.57 20.66 0.62 78.72 7.62 3.34 10.35 65.84 12.17 0.07 0.39 0.23 12 R H H 148.31 3.08 11.33 15.66 95.38 57.49 -69.14 -30.16 30.14 0.90 68.96 10.13 4.52 16.10 56.34 11.89 0.10 0.53 0.38 13 F C H 149.00 2.14 10.75 13.86 96.73 55.38 -81.50 -13.29 49.09 1.96 48.94 22.14 7.65 21.05 39.31 7.81 0.09 1.02 0.95 14 S C C 77.48 3.10 9.61 14.27 104.11 68.22 -84.67 2.17 75.25 3.18 21.56 45.81 10.44 18.29 18.69 3.62 0.02 1.57 1.56 15 S C C 85.80 2.24 10.04 13.50 107.19 77.53 -90.86 48.54 92.05 1.55 6.41 65.75 12.34 13.80 4.90 1.64 0.00 0.85 0.72 16 G C C 54.78 2.49 10.01 14.08 110.07 63.41 75.56 17.08 94.55 1.62 3.83 66.52 17.16 11.02 2.20 1.51 0.00 0.95 0.64 17 K C C 155.13 1.76 10.38 13.32 112.75 75.40 -91.18 130.22 86.85 7.21 5.95 66.44 13.75 6.57 3.89 2.25 0.01 4.84 2.26 18 V C C 111.84 2.68 9.44 13.87 114.83 -141.93 -95.94 130.96 79.84 12.96 7.20 63.77 11.47 3.93 5.91 1.97 0.04 8.37 4.55 19 L C C 79.65 7.62 7.40 16.46 116.81 -131.44 -88.98 140.29 85.86 7.65 6.48 74.67 9.17 1.87 6.22 1.03 0.01 4.96 2.08 20 S C C 61.88 2.13 12.81 15.36 117.03 -115.92 -74.88 158.12 89.27 2.85 7.89 85.23 2.63 1.24 7.96 0.62 0.00 1.59 0.74 21 E H H 142.21 1.96 10.83 14.07 93.09 -108.07 -59.97 -38.43 3.61 0.03 96.36 1.53 0.65 1.37 95.78 0.65 0.00 0.01 0.01 22 E H H 138.67 0.96 12.97 13.26 92.05 52.18 -64.94 -39.89 1.99 0.02 97.99 0.63 0.25 1.02 97.41 0.68 0.00 0.01 0.00 23 E H H 95.85 3.57 13.03 17.89 92.66 49.27 -66.57 -39.59 1.23 0.02 98.75 0.46 0.15 0.58 98.13 0.67 0.00 0.01 0.00 24 R H H 115.27 4.39 13.79 19.53 92.11 51.50 -64.35 -41.12 0.64 0.00 99.35 0.22 0.07 0.28 99.25 0.19 0.00 0.00 0.00 25 A H H 55.82 2.40 15.72 18.31 91.86 50.51 -64.00 -41.01 0.72 0.00 99.27 0.19 0.05 0.35 99.28 0.12 0.00 0.00 0.00 26 A H H 53.84 2.86 16.00 19.24 92.04 50.14 -64.63 -40.96 0.99 0.00 99.01 0.22 0.07 0.54 99.03 0.13 0.00 0.00 0.00 27 E H H 85.44 4.84 15.42 21.53 92.16 50.45 -65.45 -40.18 1.58 0.01 98.41 0.40 0.14 0.87 98.44 0.15 0.00 0.00 0.00 28 N H H 80.99 3.40 16.24 20.21 92.23 51.04 -65.26 -39.84 2.42 0.01 97.56 0.67 0.22 1.41 97.50 0.20 0.00 0.00 0.01 29 V H H 82.55 2.14 16.47 18.16 92.01 50.99 -64.34 -41.99 2.28 0.02 97.70 0.65 0.20 1.31 97.59 0.23 0.00 0.01 0.01 30 F H H 110.97 2.73 15.82 18.80 92.19 49.90 -65.08 -41.61 2.20 0.03 97.76 0.63 0.20 1.31 97.51 0.32 0.00 0.02 0.01 31 I H H 82.69 3.81 14.84 19.72 92.29 50.06 -64.87 -42.08 1.29 0.03 98.68 0.51 0.14 0.62 98.56 0.15 0.00 0.01 0.01 32 K H H 114.24 2.56 15.68 18.55 92.15 51.03 -64.02 -41.25 0.68 0.00 99.32 0.18 0.05 0.36 99.30 0.10 0.00 0.00 0.00 33 K H H 119.15 1.90 16.13 17.61 92.29 49.65 -65.20 -40.86 0.77 0.00 99.23 0.14 0.06 0.46 99.23 0.11 0.00 0.00 0.00 34 M H H 91.32 3.02 15.23 18.72 92.25 49.89 -65.20 -40.99 0.74 0.00 99.26 0.14 0.05 0.41 99.28 0.12 0.00 0.00 0.00 35 E H H 93.87 3.40 14.95 19.24 92.18 50.74 -64.91 -40.72 0.73 0.00 99.27 0.13 0.05 0.41 99.29 0.12 0.00 0.00 0.00 36 Q H H 98.60 2.30 15.31 17.82 92.03 50.98 -64.69 -40.74 0.67 0.00 99.33 0.11 0.04 0.38 99.35 0.13 0.00 0.00 0.00 37 E H H 103.85 2.07 15.68 17.45 91.90 50.43 -64.54 -41.02 0.67 0.00 99.33 0.10 0.04 0.40 99.32 0.14 0.00 0.00 0.00 38 K H H 110.66 2.76 14.91 18.09 92.00 50.20 -65.17 -40.46 0.84 0.00 99.16 0.12 0.05 0.52 99.11 0.20 0.00 0.00 0.00 39 L H H 86.00 3.31 13.75 18.14 92.10 50.58 -64.91 -40.51 0.88 0.00 99.12 0.13 0.06 0.55 98.86 0.41 0.00 0.00 0.00 40 Q H H 105.42 1.88 14.47 16.31 91.98 50.90 -64.49 -40.54 1.69 0.00 98.31 0.23 0.11 1.16 97.87 0.63 0.00 0.00 0.00 41 K H H 122.19 1.82 13.89 15.62 92.32 50.38 -66.00 -39.29 4.48 0.01 95.50 0.57 0.33 3.30 94.73 1.06 0.00 0.01 0.00 42 L H H 90.90 3.36 11.87 16.59 93.00 51.43 -66.52 -37.21 7.05 0.04 92.91 1.41 0.81 4.60 90.83 2.30 0.01 0.02 0.02 43 A H H 71.46 2.85 11.54 15.65 93.23 53.34 -68.08 -29.18 19.39 0.13 80.48 3.77 1.99 13.38 77.80 2.91 0.03 0.06 0.07 44 R H H 171.58 1.42 12.01 13.67 95.97 56.12 -79.63 -15.31 42.39 0.41 57.20 9.62 5.78 27.46 53.57 3.11 0.05 0.17 0.25 45 Q C H 129.02 2.28 10.82 14.26 101.79 63.31 -84.65 -3.26 64.24 0.92 34.84 24.33 16.93 23.12 32.17 2.54 0.03 0.29 0.60 46 G C C 39.84 4.01 11.33 16.94 126.17 -125.59 103.59 175.88 95.27 0.57 4.16 52.86 37.82 4.47 3.21 1.05 0.00 0.19 0.41 47 P C C 104.27 2.62 11.37 15.32 111.01 -61.36 -70.67 144.86 88.37 0.57 11.06 66.63 10.23 11.49 6.95 4.04 0.00 0.27 0.40 48 G C C 48.40 3.84 9.99 15.46 116.05 18.26 -107.06 72.32 79.44 1.08 19.48 55.87 11.44 12.08 11.38 7.99 0.00 0.50 0.73 49 E C C 144.18 2.19 10.64 14.06 102.17 -80.36 -77.97 7.57 65.99 1.79 32.22 46.49 10.29 9.30 19.24 12.81 0.00 0.91 0.96 50 Q C C 130.72 2.40 10.12 13.98 104.62 79.47 -83.42 25.67 61.92 2.47 35.61 42.31 10.42 9.44 22.65 12.67 0.01 1.30 1.21 51 A C C 72.88 4.37 9.11 15.15 104.72 60.64 -79.28 55.30 66.25 2.17 31.58 47.17 9.95 9.30 21.39 9.88 0.01 1.08 1.22 52 A C C 81.72 2.88 9.94 14.45 107.50 59.59 -82.22 111.47 75.15 1.50 23.34 52.70 11.17 11.15 17.21 6.14 0.00 0.69 0.93 53 G C C 54.82 2.50 10.43 14.26 112.42 25.19 -37.79 -11.99 85.19 1.02 13.79 60.23 12.88 11.90 9.84 4.04 0.00 0.49 0.62 54 S C C 86.27 2.15 10.01 13.49 111.33 -53.25 -92.36 125.44 84.83 1.69 13.48 66.21 9.82 8.56 9.37 4.20 0.00 0.86 0.99 55 A C C 80.12 3.45 8.63 13.92 112.37 -133.60 -89.65 135.41 77.57 2.80 19.64 54.80 11.44 10.98 13.31 6.49 0.00 1.46 1.52 56 S C C 80.30 2.67 9.66 13.92 110.68 -149.41 -92.81 133.83 74.89 2.94 22.17 48.74 13.59 12.43 14.19 8.05 0.01 1.57 1.42 57 E C C 142.39 2.50 9.66 13.67 105.89 -135.73 -83.91 78.07 69.02 3.70 27.27 44.11 13.63 11.55 17.94 9.12 0.02 1.99 1.63 58 A C C 74.51 3.93 9.15 14.81 108.46 66.00 -84.03 99.84 66.29 4.43 29.28 44.53 11.99 10.01 20.79 8.27 0.02 2.53 1.86 59 K C C 145.39 2.57 10.85 14.88 109.81 -150.08 -91.18 115.78 66.44 5.74 27.82 46.39 12.21 8.01 20.82 6.90 0.02 3.45 2.20 60 V C C 96.14 4.85 9.20 15.75 111.80 -148.62 -90.80 126.59 65.24 6.13 28.63 46.62 10.19 8.43 22.18 6.52 0.02 3.75 2.29 61 A C C 80.07 3.18 10.32 15.18 110.66 -138.96 -86.47 133.20 67.88 4.41 27.71 42.65 12.30 13.23 21.57 5.94 0.03 2.50 1.78 62 G C C 53.40 3.09 11.24 15.61 107.46 16.25 -69.04 47.87 73.23 2.83 23.94 42.20 16.33 15.11 17.39 6.20 0.02 1.42 1.33 63 A C C 76.56 3.92 9.72 15.32 108.87 102.28 -85.46 100.46 71.53 2.90 25.56 44.19 17.19 10.51 18.77 6.49 0.01 1.40 1.44 64 T C C 99.63 2.78 10.42 14.74 110.21 120.78 -91.10 122.29 71.02 3.30 25.68 46.24 13.86 10.95 18.65 7.01 0.02 1.70 1.58 65 A C C 77.49 3.80 9.88 15.38 111.07 -133.78 -85.79 123.20 70.88 3.34 25.77 46.15 12.75 12.00 17.74 7.98 0.01 1.74 1.62 66 S C C 77.11 3.57 9.87 15.09 113.36 -136.66 -92.49 133.58 74.13 3.24 22.63 46.26 14.19 13.62 14.91 7.74 0.01 1.62 1.65 67 A C C 80.98 3.02 9.40 14.05 109.05 -129.46 -87.82 120.65 76.01 3.27 20.71 43.82 17.99 14.47 12.69 7.74 0.01 1.53 1.74 68 S C C 86.38 2.32 9.62 13.40 108.61 -127.34 -88.38 103.11 79.88 3.13 16.99 47.95 17.54 14.60 9.25 7.48 0.01 1.53 1.65 69 A C C 81.33 3.14 8.94 13.72 110.16 -146.26 -87.32 119.44 81.29 4.03 14.68 49.51 18.62 13.43 6.72 7.66 0.01 2.11 1.94 70 E C C 145.29 2.19 9.37 13.11 109.14 -140.69 -89.80 103.10 83.02 5.63 11.35 52.46 17.83 12.84 4.76 6.41 0.01 3.15 2.54 71 S C C 84.52 2.69 8.83 13.30 112.24 -151.12 -95.54 123.80 86.16 6.42 7.41 52.98 23.56 9.75 3.13 4.09 0.01 3.21 3.27 72 G C C 46.90 3.65 9.96 15.11 121.33 -142.59 -110.66 167.68 92.77 4.28 2.96 59.16 29.62 4.18 1.27 1.69 0.00 2.22 1.86 73 P C C 100.11 3.34 10.94 15.84 110.70 -73.41 -71.67 141.09 87.49 3.27 9.24 47.06 20.50 20.44 2.75 6.19 0.00 1.85 1.21 74 K C C 145.76 3.28 11.06 15.96 107.55 -132.31 -87.59 93.07 80.69 7.77 11.54 42.90 20.91 17.77 4.03 7.09 0.02 4.45 2.84 75 V C C 92.69 5.42 10.77 17.82 115.14 89.73 -99.77 131.39 75.68 11.47 12.85 50.73 17.42 7.41 7.13 6.00 0.04 6.75 4.52 76 S C C 55.25 7.60 9.90 18.97 114.18 -134.03 -88.31 140.49 80.40 8.90 10.70 66.95 7.71 5.19 7.04 3.95 0.00 5.73 3.44 77 E C C 139.85 2.91 12.87 16.97 100.00 -159.15 -88.86 -2.93 81.91 3.40 14.69 38.16 34.13 10.01 11.02 3.54 0.02 1.52 1.59 78 D C C 77.19 5.04 11.78 18.49 109.02 94.55 -86.98 112.48 80.22 1.78 18.00 42.65 27.81 9.88 14.48 3.44 0.01 0.67 1.07 79 K H H 126.25 5.73 12.82 19.94 95.21 -157.22 -68.09 -28.59 44.26 0.58 55.16 10.12 8.73 26.07 47.54 6.83 0.10 0.26 0.35 80 N H H 94.70 4.86 14.51 20.50 94.61 57.92 -72.94 -27.36 40.28 0.54 59.18 9.52 6.87 24.46 52.12 6.38 0.09 0.25 0.31 81 R H H 119.64 5.45 15.71 22.09 94.76 57.99 -71.50 -34.43 28.77 0.74 70.49 11.98 6.56 12.09 63.10 5.47 0.09 0.36 0.34 82 N H H 67.34 7.67 15.95 24.47 96.33 54.57 -71.19 -37.56 22.78 0.82 76.39 12.12 4.27 8.04 72.35 2.45 0.05 0.41 0.31 83 Y H H 102.59 7.81 17.45 25.84 93.95 53.99 -66.22 -41.02 5.09 0.18 94.73 2.29 0.91 2.07 93.78 0.80 0.01 0.10 0.05 84 A H H 49.30 6.59 17.55 25.05 92.32 52.19 -65.14 -41.28 2.10 0.10 97.81 0.85 0.28 1.00 97.27 0.51 0.00 0.07 0.02 85 V H H 75.62 4.53 19.43 24.22 92.39 49.45 -65.54 -42.17 1.34 0.10 98.56 0.45 0.15 0.71 98.24 0.36 0.00 0.08 0.01 86 V H H 67.91 5.67 19.53 25.75 92.21 48.94 -64.65 -42.40 0.63 0.02 99.34 0.17 0.07 0.35 99.26 0.15 0.00 0.01 0.00 87 A H H 41.24 7.52 17.80 26.51 91.78 50.44 -64.18 -41.40 0.43 0.00 99.57 0.08 0.03 0.26 99.54 0.09 0.00 0.00 0.00 88 G H H 32.09 5.74 18.73 25.30 92.05 51.07 -64.49 -41.51 0.65 0.00 99.35 0.10 0.04 0.44 99.32 0.09 0.00 0.00 0.00 89 V H H 78.70 3.68 20.80 24.28 92.19 48.73 -65.38 -42.35 0.70 0.00 99.30 0.10 0.05 0.49 99.29 0.07 0.00 0.00 0.00 90 V H H 71.77 5.51 19.77 25.78 92.18 48.70 -65.42 -41.82 0.75 0.00 99.24 0.12 0.05 0.47 99.29 0.05 0.00 0.00 0.00 91 A H H 44.46 7.44 17.93 26.33 91.91 50.62 -64.34 -42.22 0.33 0.00 99.67 0.05 0.02 0.20 99.68 0.04 0.00 0.00 0.00 92 I H H 91.75 3.56 20.45 23.77 91.80 49.79 -63.95 -42.53 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 93 V H H 79.73 2.97 20.54 23.04 91.72 49.09 -64.42 -42.13 0.13 0.00 99.87 0.01 0.01 0.08 99.86 0.04 0.00 0.00 0.00 94 G H H 27.15 6.13 17.56 25.01 91.59 50.50 -64.07 -41.75 0.22 0.00 99.78 0.01 0.01 0.16 99.77 0.05 0.00 0.00 0.00 95 S H H 49.26 5.22 17.88 23.94 91.67 50.37 -64.42 -42.01 0.42 0.00 99.57 0.02 0.02 0.33 99.55 0.07 0.00 0.00 0.00 96 I H H 92.73 2.61 18.98 21.11 91.69 49.68 -64.30 -41.62 0.47 0.00 99.53 0.03 0.02 0.35 99.49 0.09 0.00 0.00 0.00 97 G H H 33.13 3.62 16.65 21.10 91.73 51.02 -63.75 -41.80 0.71 0.00 99.29 0.06 0.04 0.53 99.17 0.20 0.00 0.00 0.00 98 W H H 125.56 4.16 15.66 20.69 91.97 49.98 -64.85 -41.18 0.79 0.00 99.20 0.07 0.05 0.63 98.69 0.57 0.00 0.00 0.00 99 Y H H 126.39 3.12 15.33 19.03 92.12 50.30 -65.23 -41.36 1.25 0.01 98.74 0.11 0.08 1.01 97.83 0.96 0.00 0.00 0.00 100 L H H 102.60 2.18 14.78 17.14 92.65 49.56 -66.26 -39.04 4.57 0.02 95.41 0.36 0.33 3.79 94.35 1.14 0.01 0.01 0.01 101 K H H 127.28 2.81 13.44 17.01 94.16 49.98 -70.47 -30.19 19.38 0.12 80.50 2.27 2.10 15.02 78.82 1.63 0.05 0.04 0.07 102 A H H 65.39 4.40 11.00 16.83 94.95 61.04 -74.03 -23.72 45.19 0.99 53.82 11.90 10.70 24.87 48.43 2.99 0.14 0.37 0.60 103 G C T 53.74 2.46 12.05 15.30 99.75 55.96 -76.62 -12.25 68.07 1.42 30.50 19.83 21.72 27.45 24.73 4.78 0.06 0.55 0.88 104 G C C 52.00 2.87 10.84 15.06 106.95 45.80 -64.99 39.54 82.38 1.53 16.08 46.28 15.15 21.19 10.06 5.73 0.00 0.71 0.87 105 K C C 144.38 2.94 8.57 13.25 109.48 123.45 -87.72 118.24 84.44 3.65 11.91 55.71 18.22 10.43 6.86 4.96 0.00 1.75 2.07 106 K C C 152.08 1.90 8.68 12.14 114.79 -143.03 -93.42 130.21 87.57 4.53 7.89 61.73 18.81 6.75 4.71 3.25 0.00 2.26 2.50 107 Q C C 136.67 1.98 9.13 12.82 116.02 -129.48 -90.15 134.97 92.94 2.58 4.48 73.68 17.22 2.04 3.47 1.11 0.00 1.51 0.97 108 P C C 96.92 3.52 7.50 13.03 112.60 -110.01 -70.43 145.44 85.89 3.04 11.08 74.47 6.96 4.80 7.01 3.78 0.00 2.08 0.90 109 E C C 146.12 1.75 8.07 11.43 112.65 -124.62 -86.58 131.13 78.31 6.59 15.10 64.07 8.26 6.07 9.29 5.66 0.00 4.67 1.96 110 V C C 117.91 2.06 6.42 10.31 113.51 -148.48 -94.82 124.12 76.76 8.22 15.02 62.51 7.85 6.55 9.09 5.67 0.01 6.20 2.13 111 Q C C 137.22 1.79 6.54 10.10 115.55 -157.27 -101.07 127.32 85.00 4.34 10.66 78.08 1.98 5.99 6.45 3.21 0.00 3.11 1.19 112 E C C 152.11 1.59 9.23 12.22 110.27 -144.62 -88.01 117.06 99.79 0.12 0.09 99.49 0.19 0.18 0.04 0.01 0.00 0.07 0.02