# 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 K C C 141.87 3.10 13.98 18.38 115.80 -136.09 -90.86 135.62 99.98 0.02 0.00 99.81 0.16 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 91.02 5.11 10.72 17.67 112.84 -106.52 -66.09 146.90 93.02 0.53 6.45 86.82 1.23 5.80 1.18 4.43 0.00 0.26 0.27 2 H C C 113.55 7.22 9.32 17.97 111.98 -118.60 -84.03 129.04 87.93 1.67 10.39 60.54 13.38 12.60 1.46 10.27 0.00 0.85 0.89 3 R C C 164.72 2.95 12.95 17.26 107.02 -158.74 -93.43 58.32 86.43 2.54 11.03 56.95 17.70 10.69 1.51 10.53 0.00 1.31 1.31 4 Y C C 95.78 12.00 8.81 20.90 117.97 123.91 -97.52 135.16 91.65 3.35 5.00 69.19 17.28 4.24 1.34 3.80 0.00 1.21 2.94 5 R C C 140.97 3.56 13.84 18.93 118.47 -141.25 -95.39 140.46 99.16 0.38 0.46 85.02 13.26 0.83 0.25 0.15 0.00 0.11 0.37 6 P C T 100.45 4.29 12.17 18.07 110.04 -98.12 -60.91 138.46 94.45 0.14 5.41 5.11 5.35 84.32 2.98 2.04 0.00 0.06 0.13 7 G C T 54.21 2.65 14.57 18.05 97.17 22.32 84.87 -3.18 93.22 0.13 6.66 6.19 6.00 81.32 3.97 2.36 0.00 0.06 0.09 8 T C C 43.19 9.02 11.27 22.16 113.98 122.72 -81.50 147.09 67.90 1.95 30.14 48.98 15.45 2.97 29.19 1.48 0.00 0.47 1.44 9 V H H 84.67 4.09 16.87 21.81 94.26 -132.37 -63.60 -39.19 4.35 0.04 95.61 1.60 0.79 1.95 94.91 0.72 0.00 0.02 0.01 10 A H H 34.58 9.60 15.81 26.82 92.13 51.93 -64.34 -41.25 2.18 0.02 97.80 0.68 0.26 1.18 97.12 0.75 0.00 0.01 0.00 11 L H H 47.03 10.46 15.70 27.53 91.99 50.01 -64.98 -40.83 0.80 0.01 99.20 0.25 0.08 0.39 98.77 0.50 0.00 0.00 0.00 12 R H H 115.93 3.65 19.21 23.16 91.90 51.15 -64.16 -41.18 0.41 0.00 99.58 0.11 0.04 0.20 99.49 0.17 0.00 0.00 0.00 13 E H H 84.19 5.22 19.13 25.07 91.70 50.04 -64.61 -41.17 0.54 0.00 99.46 0.10 0.03 0.31 99.43 0.13 0.00 0.00 0.00 14 I H H 37.42 13.28 15.94 30.11 92.24 50.29 -64.78 -41.99 0.62 0.00 99.37 0.11 0.04 0.36 99.34 0.14 0.00 0.00 0.00 15 R H H 115.05 5.49 18.64 25.01 91.72 51.64 -63.81 -40.85 0.84 0.00 99.15 0.14 0.06 0.50 98.98 0.31 0.00 0.00 0.00 16 R H H 128.35 2.59 19.37 21.58 92.11 50.16 -65.08 -40.96 2.48 0.01 97.52 0.30 0.17 1.77 97.09 0.66 0.01 0.00 0.00 17 Y H H 70.29 10.50 15.42 27.07 92.63 49.35 -66.94 -38.91 5.48 0.02 94.49 0.89 0.58 3.68 93.84 0.98 0.01 0.01 0.01 18 Q H H 72.13 11.71 14.82 26.90 92.56 54.16 -65.52 -37.47 12.28 0.09 87.64 2.97 1.49 7.42 85.76 2.26 0.02 0.04 0.04 19 K H H 143.42 1.78 18.25 19.48 92.76 52.15 -69.78 -32.65 27.93 0.14 71.93 3.27 3.01 21.25 69.38 2.92 0.04 0.05 0.07 20 S C H 54.22 5.05 16.28 22.22 101.12 45.08 -91.94 -13.63 53.82 0.30 45.88 18.41 6.29 29.02 42.75 3.22 0.01 0.11 0.20 21 T H H 34.60 15.79 12.83 28.28 95.33 89.47 -67.48 -38.20 17.21 0.15 82.64 9.52 3.52 4.68 79.90 2.25 0.00 0.06 0.06 22 E H H 108.09 5.82 17.43 24.27 92.92 60.19 -63.81 -39.26 6.12 0.05 93.83 1.69 0.90 3.49 90.81 3.06 0.01 0.03 0.02 23 L H H 77.23 3.74 18.51 22.63 92.41 51.40 -65.56 -40.79 3.80 0.05 96.14 1.05 0.51 2.27 92.47 3.63 0.01 0.04 0.01 24 L H H 36.44 12.65 15.68 29.36 92.54 50.93 -65.37 -41.57 2.52 0.03 97.45 0.66 0.32 1.47 93.71 3.81 0.00 0.02 0.01 25 I H H 34.30 16.56 14.69 31.14 92.57 50.68 -65.88 -38.99 3.91 0.03 96.06 0.50 0.33 2.84 89.05 7.25 0.01 0.02 0.00 26 R H H 143.82 4.14 18.67 23.73 92.47 54.12 -67.90 -29.55 18.95 0.03 81.03 0.63 0.76 17.67 75.18 5.70 0.02 0.01 0.02 27 K H H 119.72 4.72 18.29 23.60 95.89 49.50 -88.32 -11.37 43.10 0.05 56.85 1.58 2.46 38.78 52.12 4.98 0.03 0.02 0.05 28 L C C 28.73 18.20 12.14 29.89 109.27 96.88 -78.78 113.74 68.75 0.29 30.96 34.20 28.11 4.61 31.38 1.42 0.00 0.06 0.22 29 P H H 62.39 6.25 20.52 27.56 93.88 -146.81 -63.61 -34.11 23.34 0.10 76.56 8.27 2.61 12.11 74.33 2.58 0.01 0.04 0.06 30 F H H 43.04 16.77 17.47 33.81 93.05 55.00 -66.03 -37.81 9.01 0.05 90.94 2.59 0.94 5.27 88.86 2.29 0.01 0.02 0.02 31 Q H H 58.48 13.77 18.50 32.09 91.94 54.68 -63.20 -40.53 1.40 0.01 98.60 0.53 0.15 0.62 97.70 1.00 0.00 0.00 0.00 32 R H H 120.32 3.97 22.64 26.44 91.83 50.87 -64.90 -40.96 0.70 0.00 99.30 0.19 0.06 0.36 98.94 0.44 0.00 0.00 0.00 33 L H H 44.69 10.47 20.35 31.63 92.01 50.61 -64.53 -42.52 0.50 0.00 99.50 0.11 0.04 0.27 99.34 0.24 0.00 0.00 0.00 34 V H H 14.35 19.33 17.34 36.66 91.97 50.27 -64.03 -42.47 0.32 0.00 99.68 0.06 0.02 0.18 99.64 0.11 0.00 0.00 0.00 35 R H H 107.48 8.22 20.75 29.43 91.53 51.44 -63.22 -41.25 0.38 0.00 99.62 0.05 0.02 0.24 99.56 0.13 0.00 0.00 0.00 36 E H H 94.55 3.11 22.31 24.68 91.71 49.76 -64.66 -41.62 0.81 0.00 99.19 0.09 0.04 0.56 99.08 0.22 0.00 0.00 0.00 37 I H H 31.41 12.56 17.90 31.59 92.30 49.45 -65.05 -41.66 1.49 0.00 98.50 0.19 0.11 1.00 98.19 0.50 0.00 0.00 0.00 38 A H H 15.74 15.38 13.82 30.09 91.82 52.46 -64.55 -38.70 3.86 0.01 96.13 0.53 0.29 2.70 94.34 2.13 0.00 0.00 0.00 39 Q H H 115.23 2.77 17.79 20.93 92.37 53.04 -65.99 -36.43 15.60 0.03 84.37 0.88 0.83 13.74 80.24 4.27 0.02 0.01 0.02 40 D H H 96.90 2.79 16.50 19.57 93.98 51.31 -76.20 -24.49 28.45 0.06 71.49 1.96 2.04 24.24 67.97 3.70 0.03 0.02 0.04 41 F C H 70.33 12.48 10.45 23.21 102.08 57.74 -92.95 11.02 60.02 0.84 39.15 27.06 12.97 20.87 34.60 3.61 0.02 0.27 0.58 42 K C C 138.29 3.77 13.23 18.50 103.12 160.88 -69.71 55.00 84.34 0.96 14.70 57.06 9.14 17.50 11.83 3.42 0.00 0.44 0.61 43 T C C 89.08 4.49 11.13 17.09 105.08 94.46 -91.75 -2.64 82.59 0.92 16.49 41.74 22.25 18.75 10.67 5.62 0.00 0.38 0.60 44 D C C 102.43 3.52 12.62 17.08 105.18 62.28 -86.85 57.86 78.19 0.93 20.88 43.14 19.59 15.62 12.67 8.00 0.00 0.38 0.60 45 L C C 92.36 7.88 11.05 20.01 101.54 84.10 -77.30 3.19 65.81 1.64 32.55 39.66 13.45 12.43 19.98 12.88 0.01 0.81 0.79 46 R C C 143.15 4.31 15.54 20.95 103.25 95.01 -79.88 6.76 60.82 3.70 35.48 40.48 9.88 10.07 24.05 11.99 0.02 2.17 1.33 47 F C C 69.91 14.23 11.59 25.58 105.89 82.61 -86.87 61.03 57.40 4.14 38.46 42.16 8.50 6.85 29.86 8.80 0.01 2.34 1.49 48 Q C C 92.03 6.19 17.03 23.95 109.36 106.03 -80.84 133.83 53.73 1.34 44.93 43.05 5.66 4.49 43.04 2.66 0.00 0.63 0.48 49 S H H 65.35 6.61 15.31 22.87 94.91 -107.77 -64.82 -37.77 14.40 0.14 85.46 7.26 3.03 4.30 83.95 1.35 0.00 0.05 0.06 50 S H H 67.45 2.81 19.07 21.54 92.94 51.62 -66.61 -38.89 5.34 0.04 94.61 2.18 0.81 2.29 93.78 0.91 0.00 0.02 0.02 51 A H H 23.52 11.24 16.35 29.03 92.32 51.10 -65.30 -41.64 1.81 0.02 98.17 0.80 0.23 0.76 97.65 0.55 0.00 0.01 0.00 52 V H H 28.30 15.29 16.53 32.18 92.06 49.99 -64.25 -42.40 0.75 0.01 99.24 0.31 0.09 0.32 99.04 0.24 0.00 0.01 0.00 53 M H H 91.89 4.39 21.62 26.13 91.59 50.23 -64.01 -41.41 0.47 0.00 99.53 0.17 0.05 0.21 99.45 0.12 0.00 0.00 0.00 54 A H H 46.47 4.90 21.05 26.42 91.63 50.72 -63.94 -41.63 0.39 0.00 99.61 0.11 0.03 0.20 99.57 0.08 0.00 0.00 0.00 55 L H H 35.41 14.78 18.20 33.21 92.33 50.03 -64.90 -41.60 0.27 0.00 99.72 0.06 0.02 0.14 99.71 0.06 0.00 0.00 0.00 56 Q H H 69.68 12.26 19.78 31.86 91.89 50.92 -63.18 -41.43 0.25 0.00 99.75 0.05 0.02 0.13 99.76 0.04 0.00 0.00 0.00 57 E H H 109.96 2.88 22.98 25.24 91.84 49.60 -64.91 -41.29 0.30 0.00 99.70 0.05 0.02 0.17 99.72 0.04 0.00 0.00 0.00 58 A H H 41.92 6.62 20.80 28.28 91.85 49.95 -65.11 -41.48 0.44 0.00 99.56 0.06 0.02 0.26 99.60 0.06 0.00 0.00 0.00 59 S H H 20.14 15.50 17.77 33.60 92.08 50.86 -64.68 -41.29 0.61 0.00 99.39 0.09 0.03 0.36 99.42 0.09 0.00 0.00 0.00 60 E H H 84.21 9.76 20.46 30.44 91.90 51.50 -63.73 -40.62 0.41 0.00 99.59 0.04 0.02 0.26 99.59 0.09 0.00 0.00 0.00 61 A H H 58.02 3.45 21.86 24.99 91.89 51.38 -64.73 -40.81 0.31 0.00 99.69 0.03 0.01 0.21 99.65 0.10 0.00 0.00 0.00 62 Y H H 93.85 9.17 20.80 30.29 92.30 49.67 -65.61 -41.50 0.34 0.00 99.66 0.04 0.02 0.22 99.59 0.13 0.00 0.00 0.00 63 L H H 33.65 16.60 18.26 34.61 92.34 49.62 -64.90 -41.68 0.49 0.00 99.51 0.05 0.02 0.33 99.40 0.20 0.00 0.00 0.00 64 V H H 62.40 7.91 20.25 28.89 92.10 50.85 -64.33 -41.60 1.00 0.00 99.00 0.11 0.06 0.71 98.68 0.43 0.00 0.00 0.00 65 G H H 31.48 4.61 20.64 25.78 92.00 51.35 -64.34 -41.02 4.90 0.01 95.09 0.39 0.28 3.98 94.03 1.30 0.01 0.00 0.00 66 L H H 43.99 12.72 18.28 31.46 92.47 50.58 -66.07 -40.58 10.58 0.04 89.37 0.96 0.80 8.54 87.31 2.31 0.03 0.02 0.02 67 F H H 54.92 15.43 16.70 31.83 93.42 51.35 -69.45 -35.61 18.41 0.37 81.22 5.73 3.23 10.37 76.82 3.44 0.06 0.17 0.18 68 E H H 112.67 4.74 19.79 25.17 93.80 56.14 -67.88 -35.71 30.97 0.63 68.39 10.28 5.25 16.28 64.25 3.27 0.06 0.30 0.30 69 D H H 81.46 6.14 18.89 25.51 97.22 47.82 -81.02 -19.12 45.41 0.57 54.02 17.13 7.15 21.24 50.30 3.60 0.03 0.25 0.29 70 T C H 40.43 15.29 15.75 30.43 99.28 64.38 -80.66 -21.64 49.83 0.86 49.31 23.67 10.17 16.16 45.32 3.87 0.02 0.37 0.42 71 N H H 77.71 9.43 19.70 29.15 96.59 85.20 -65.78 -26.37 41.85 1.04 57.11 23.89 5.91 12.61 52.50 4.13 0.02 0.52 0.43 72 L H H 63.93 9.13 19.53 29.14 93.95 69.64 -66.08 -39.04 15.39 0.86 83.75 7.09 2.92 6.59 75.47 7.04 0.06 0.59 0.24 73 S H H 30.41 11.18 18.06 30.15 92.93 52.50 -65.88 -39.64 10.45 1.24 88.30 4.37 1.78 5.04 78.65 8.83 0.06 1.07 0.21 74 A H H 27.78 10.82 16.46 28.60 92.94 52.84 -66.38 -38.54 9.76 1.59 88.64 4.09 1.67 4.65 78.61 9.19 0.07 1.49 0.22 75 I H H 76.49 7.25 17.67 25.63 93.37 50.93 -67.74 -39.47 13.07 2.41 84.52 4.79 2.29 6.87 77.01 6.40 0.15 2.10 0.39 76 H H H 101.90 6.71 17.00 24.41 94.43 49.74 -71.30 -30.55 25.44 2.64 71.92 8.04 4.49 14.34 65.82 4.45 0.26 1.86 0.74 77 A C H 43.66 10.56 12.84 24.18 97.86 56.42 -80.91 -6.09 58.85 1.49 39.66 14.92 9.56 33.82 36.76 3.46 0.08 0.75 0.66 78 K C T 156.74 2.57 16.61 20.02 96.44 -123.16 54.13 26.50 78.75 0.85 20.40 17.09 13.61 47.39 17.21 3.82 0.02 0.41 0.46 79 R C C 115.79 7.44 13.73 22.40 119.40 113.68 -105.43 139.36 86.38 2.26 11.36 36.23 23.48 26.90 7.61 3.62 0.01 1.14 1.00 80 V C C 91.89 7.94 14.29 23.13 100.83 -150.84 -89.89 -7.50 88.25 5.68 6.07 50.90 28.34 9.27 3.64 2.50 0.00 3.66 1.67 81 T C C 73.71 5.21 19.74 25.60 126.27 70.51 -115.83 144.13 86.89 8.93 4.18 55.81 25.38 6.03 1.96 2.27 0.00 6.41 2.12 82 I C C 38.64 19.72 11.82 30.84 111.38 -126.81 -89.98 121.08 87.56 8.60 3.84 68.37 16.60 2.07 2.20 1.81 0.00 4.67 4.27 83 M C C 75.17 6.62 19.06 26.46 124.13 -165.96 -98.62 155.90 97.35 0.54 2.11 91.23 5.65 0.23 2.39 0.08 0.00 0.19 0.24 84 P H H 81.41 6.43 15.71 23.47 91.04 -109.07 -57.87 -38.16 3.08 0.01 96.91 0.44 0.30 2.05 96.34 0.86 0.00 0.00 0.00 85 K H H 122.20 3.26 19.82 23.41 91.49 54.39 -64.33 -38.70 1.42 0.00 98.58 0.18 0.09 0.96 98.01 0.76 0.00 0.00 0.00 86 D H H 19.96 17.08 16.18 33.53 92.01 50.59 -65.54 -40.81 0.44 0.00 99.55 0.10 0.04 0.22 99.05 0.59 0.00 0.00 0.00 87 I H H 26.72 16.74 17.57 34.41 91.80 50.95 -63.99 -41.95 0.15 0.00 99.85 0.03 0.01 0.07 99.79 0.11 0.00 0.00 0.00 88 Q H H 91.38 3.68 23.66 26.95 91.36 50.74 -63.47 -42.15 0.15 0.00 99.85 0.02 0.01 0.08 99.85 0.04 0.00 0.00 0.00 89 L H H 42.53 8.66 21.04 31.01 91.71 50.24 -64.05 -42.43 0.16 0.00 99.84 0.02 0.00 0.09 99.84 0.05 0.00 0.00 0.00 90 A H H 6.97 18.39 16.21 35.62 91.52 51.18 -62.88 -42.42 0.26 0.00 99.74 0.03 0.01 0.14 99.74 0.08 0.00 0.00 0.00 91 R H H 86.37 8.71 18.62 28.26 91.48 50.98 -63.81 -40.87 0.71 0.00 99.28 0.09 0.04 0.46 99.17 0.24 0.00 0.00 0.00 92 R H H 137.40 2.69 19.04 21.73 91.86 50.77 -64.83 -40.71 1.65 0.01 98.34 0.18 0.10 1.18 97.98 0.55 0.00 0.00 0.00 93 I H H 61.71 11.30 15.13 27.13 92.72 49.39 -67.79 -36.41 6.59 0.03 93.39 0.39 0.41 5.55 92.94 0.67 0.01 0.01 0.01 94 R C T 99.54 9.86 13.46 24.16 95.59 45.51 -85.53 -5.91 54.55 0.11 45.34 1.23 2.58 48.98 45.89 1.19 0.02 0.03 0.07 95 G C T 54.37 2.53 14.07 17.61 99.07 -105.61 78.19 10.83 95.12 0.18 4.70 8.93 6.24 79.99 3.96 0.71 0.00 0.08 0.09 96 E C C 111.06 5.34 10.09 17.21 109.25 128.05 -88.07 105.89 97.16 0.43 2.41 90.89 1.99 4.81 1.17 0.69 0.00 0.18 0.27 97 R C C 154.88 4.40 12.83 19.09 111.02 85.59 -94.56 116.75 99.90 0.05 0.05 99.70 0.16 0.08 0.01 0.01 0.00 0.02 0.01