# 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 142.89 3.00 14.38 18.63 115.95 -133.04 -90.30 136.60 99.98 0.02 0.00 99.81 0.17 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 89.64 5.50 11.12 18.38 112.92 -104.63 -66.51 146.68 94.36 0.53 5.10 87.66 1.30 6.08 0.89 3.53 0.00 0.27 0.26 2 H C C 110.15 7.86 9.75 18.90 112.60 -120.08 -85.13 127.74 90.06 2.26 7.68 64.45 12.65 11.75 1.18 7.65 0.00 1.21 1.10 3 R C C 159.37 3.65 13.46 18.55 107.72 -157.51 -94.38 57.18 87.90 3.70 8.40 62.15 15.52 9.19 1.23 8.16 0.00 2.11 1.64 4 Y C C 90.21 12.73 9.35 22.07 119.51 139.61 -99.41 138.68 91.53 5.20 3.27 71.12 15.97 3.35 0.99 2.40 0.00 1.93 4.24 5 R C C 139.64 3.76 14.55 19.75 118.75 -139.38 -95.83 140.80 99.05 0.54 0.41 85.10 12.97 0.92 0.20 0.16 0.00 0.18 0.47 6 P C T 99.00 4.58 12.50 18.79 110.45 -95.32 -60.70 138.45 96.34 0.19 3.46 6.86 6.56 83.23 1.57 1.54 0.00 0.09 0.15 7 G C T 54.37 2.65 15.03 18.56 96.17 21.99 85.12 -2.92 95.06 0.17 4.77 8.40 7.67 79.28 2.39 2.05 0.00 0.09 0.12 8 T C C 41.83 9.32 11.74 22.93 117.34 125.91 -80.58 151.44 75.13 2.86 22.01 50.80 21.45 2.57 21.09 1.26 0.01 0.63 2.19 9 V H H 82.17 4.78 17.48 23.16 93.56 -124.75 -62.93 -37.43 5.50 0.06 94.44 1.85 1.08 2.62 93.61 0.78 0.01 0.02 0.03 10 A H H 26.43 12.35 15.70 29.12 92.12 53.00 -64.27 -41.49 2.88 0.04 97.08 0.92 0.37 1.56 96.29 0.83 0.00 0.02 0.01 11 L H H 44.34 11.15 16.04 28.44 91.84 50.36 -64.55 -40.89 0.84 0.01 99.15 0.29 0.09 0.39 98.72 0.50 0.00 0.01 0.00 12 R H H 119.65 3.26 20.10 23.29 91.78 50.72 -64.23 -41.23 0.39 0.00 99.60 0.11 0.04 0.18 99.52 0.15 0.00 0.00 0.00 13 E H H 76.70 6.45 19.19 26.49 91.82 49.93 -64.76 -41.40 0.43 0.00 99.57 0.09 0.03 0.23 99.56 0.10 0.00 0.00 0.00 14 I H H 31.12 15.04 15.98 31.67 91.89 50.28 -64.50 -42.09 0.47 0.00 99.52 0.09 0.03 0.26 99.53 0.09 0.00 0.00 0.00 15 R H H 116.14 5.36 19.27 25.39 91.70 51.70 -63.38 -40.99 0.65 0.00 99.34 0.12 0.05 0.37 99.30 0.16 0.00 0.00 0.00 16 R H H 126.67 2.63 19.90 22.07 92.02 50.10 -64.73 -41.10 1.61 0.01 98.39 0.24 0.12 1.04 98.24 0.36 0.00 0.00 0.00 17 Y H H 61.44 11.88 15.55 28.40 92.32 49.59 -65.92 -39.95 3.43 0.02 96.55 0.63 0.35 2.16 96.23 0.61 0.01 0.01 0.01 18 Q H H 70.96 11.97 15.37 27.63 92.34 53.47 -65.41 -37.76 8.27 0.04 91.68 1.69 0.89 5.23 90.98 1.16 0.01 0.02 0.02 19 K H H 141.49 1.78 18.70 19.84 92.93 51.35 -69.54 -33.08 21.83 0.09 78.08 2.61 2.42 16.23 76.97 1.65 0.03 0.03 0.05 20 S H H 52.59 5.38 16.78 22.98 100.26 46.21 -86.47 -18.69 49.25 0.27 50.47 18.58 5.99 24.00 48.87 2.27 0.01 0.09 0.17 21 T H H 34.36 16.25 13.39 29.16 95.03 85.76 -66.90 -35.81 17.65 0.15 82.20 8.98 3.22 5.81 79.11 2.74 0.00 0.06 0.07 22 E H H 105.02 6.47 17.91 25.25 92.93 59.43 -63.79 -39.32 7.50 0.07 92.43 2.16 1.11 4.22 88.85 3.58 0.01 0.04 0.02 23 L H H 73.75 4.27 18.81 23.62 92.42 51.48 -65.52 -40.63 4.85 0.08 95.07 1.46 0.68 2.78 90.60 4.40 0.01 0.06 0.02 24 L H H 35.71 13.11 16.24 30.23 92.76 50.95 -65.50 -41.64 3.51 0.06 96.43 0.99 0.46 2.00 91.38 5.10 0.01 0.05 0.01 25 I H H 31.34 17.20 14.90 31.91 92.83 51.16 -66.23 -38.81 5.10 0.05 94.85 0.78 0.49 3.54 86.39 8.74 0.01 0.03 0.01 26 R H H 140.27 4.70 18.82 24.42 92.83 54.17 -67.97 -30.71 20.74 0.05 79.21 1.02 1.05 18.24 72.50 7.10 0.03 0.02 0.03 27 K H H 119.91 4.84 18.58 23.95 95.99 49.64 -85.64 -14.92 43.21 0.08 56.70 2.30 3.10 37.15 51.45 5.85 0.03 0.04 0.07 28 L C C 28.55 18.32 12.39 30.23 109.26 93.18 -83.02 112.63 74.83 0.33 24.84 34.90 33.03 4.87 25.46 1.41 0.00 0.07 0.26 29 P H H 60.42 6.55 20.46 27.89 94.65 -148.40 -63.85 -33.02 30.57 0.17 69.26 13.56 3.57 13.08 66.74 2.87 0.01 0.07 0.10 30 F H H 43.17 17.04 17.35 33.88 93.15 56.05 -65.87 -37.50 11.98 0.08 87.93 3.99 1.47 6.58 85.03 2.83 0.01 0.04 0.04 31 Q H H 59.26 13.80 18.31 31.90 92.34 55.66 -63.72 -40.16 2.60 0.02 97.38 1.05 0.31 1.16 95.72 1.73 0.00 0.01 0.01 32 R H H 121.06 3.94 22.33 26.16 92.07 51.33 -65.15 -40.50 1.50 0.01 98.49 0.47 0.16 0.78 97.57 1.00 0.00 0.01 0.00 33 L H H 42.91 10.87 20.04 31.70 92.09 50.62 -64.72 -42.56 0.99 0.01 98.99 0.29 0.10 0.52 98.58 0.50 0.00 0.01 0.00 34 V H H 14.37 19.50 17.03 36.54 92.06 50.42 -63.97 -42.69 0.60 0.01 99.39 0.16 0.05 0.31 99.23 0.24 0.00 0.01 0.00 35 R H H 108.67 8.12 20.48 29.15 91.61 51.40 -63.32 -41.33 0.62 0.01 99.37 0.12 0.04 0.37 99.19 0.27 0.00 0.00 0.00 36 E H H 96.32 3.09 22.14 24.49 91.76 49.56 -64.79 -41.62 1.11 0.01 98.88 0.17 0.08 0.74 98.61 0.39 0.00 0.00 0.00 37 I H H 33.23 12.45 17.86 31.38 92.30 49.14 -65.16 -41.54 2.04 0.01 97.95 0.30 0.17 1.35 97.48 0.68 0.00 0.00 0.00 38 A H H 14.82 15.55 13.60 30.03 91.85 52.29 -64.92 -37.63 5.50 0.03 94.47 0.87 0.45 3.80 92.61 2.23 0.01 0.01 0.01 39 Q H H 113.71 3.00 17.40 20.96 92.56 53.95 -66.15 -35.84 19.26 0.04 80.70 1.30 1.15 16.59 75.99 4.90 0.03 0.02 0.02 40 D H H 97.99 2.77 16.41 19.46 94.22 51.55 -75.52 -23.84 32.49 0.08 67.42 2.41 2.45 27.36 63.31 4.35 0.03 0.03 0.06 41 F C H 71.78 12.40 10.56 23.21 101.70 56.37 -91.98 8.09 61.20 0.80 38.00 26.91 13.90 21.23 33.26 3.86 0.02 0.27 0.56 42 K C C 139.40 3.71 13.45 18.62 102.34 121.57 -70.21 34.23 84.56 0.83 14.61 56.73 9.40 17.93 11.30 3.72 0.00 0.38 0.54 43 T C C 88.43 4.72 11.34 17.54 105.27 104.33 -90.63 -4.23 80.77 0.89 18.35 40.23 22.17 18.58 11.38 6.68 0.00 0.36 0.58 44 D C C 98.46 4.17 12.91 18.02 104.56 63.64 -87.02 54.21 75.84 0.95 23.21 42.87 17.53 15.38 13.77 9.44 0.00 0.40 0.60 45 L C C 87.94 8.64 11.37 20.95 100.14 99.52 -74.65 -9.78 61.35 1.53 37.13 37.17 11.45 12.17 21.06 16.64 0.01 0.78 0.70 46 R C C 138.77 4.93 16.07 22.01 100.69 85.57 -77.24 -14.19 56.02 3.23 40.75 33.27 10.86 11.76 25.17 15.88 0.03 1.84 1.19 47 F C C 68.94 14.41 12.60 26.73 102.34 65.09 -85.11 11.88 54.77 4.25 40.98 36.17 9.70 9.13 28.37 12.65 0.03 2.36 1.60 48 Q C C 86.65 8.17 16.79 25.54 106.70 91.83 -80.35 87.86 58.26 1.55 40.19 44.30 7.42 5.87 37.55 3.51 0.00 0.75 0.60 49 S H H 60.99 7.31 15.82 23.93 95.85 55.70 -65.80 -38.45 26.44 0.28 73.28 13.64 6.62 6.22 71.70 1.57 0.01 0.10 0.12 50 S H H 67.17 3.11 19.54 22.31 93.63 50.79 -66.91 -38.70 7.24 0.05 92.70 2.75 1.30 3.08 91.82 1.00 0.01 0.02 0.02 51 A H H 24.53 11.78 17.00 29.89 92.49 51.32 -65.43 -41.67 2.45 0.03 97.52 1.01 0.33 1.07 96.91 0.65 0.00 0.01 0.01 52 V H H 23.70 16.64 16.60 33.39 92.00 50.00 -64.30 -42.27 1.00 0.02 98.99 0.42 0.12 0.43 98.68 0.34 0.00 0.01 0.00 53 M H H 89.72 4.97 21.89 27.17 91.50 50.36 -64.00 -41.41 0.54 0.01 99.45 0.21 0.06 0.24 99.33 0.16 0.00 0.00 0.00 54 A H H 45.96 5.15 21.53 27.11 91.57 50.59 -64.22 -41.70 0.42 0.00 99.58 0.12 0.04 0.21 99.53 0.10 0.00 0.00 0.00 55 L H H 31.53 15.82 18.47 34.37 92.15 50.09 -65.12 -41.64 0.29 0.00 99.71 0.07 0.02 0.15 99.69 0.07 0.00 0.00 0.00 56 Q H H 65.43 13.70 19.83 33.01 91.84 51.20 -63.03 -41.56 0.28 0.00 99.71 0.06 0.02 0.16 99.72 0.05 0.00 0.00 0.00 57 E H H 109.92 3.06 23.50 26.05 91.84 49.48 -64.79 -41.01 0.42 0.00 99.58 0.06 0.02 0.25 99.60 0.06 0.00 0.00 0.00 58 A H H 41.17 7.09 21.39 29.24 91.76 49.83 -65.16 -41.38 0.76 0.00 99.23 0.11 0.04 0.47 99.28 0.10 0.00 0.00 0.00 59 S H H 16.14 17.40 18.00 35.43 92.02 51.03 -64.98 -41.23 1.02 0.00 98.98 0.18 0.06 0.61 98.96 0.19 0.00 0.00 0.00 60 E H H 80.38 11.34 20.92 32.11 91.81 51.74 -63.60 -40.74 0.54 0.00 99.46 0.07 0.03 0.35 99.36 0.19 0.00 0.00 0.00 61 A H H 57.04 3.82 22.89 26.38 91.80 51.09 -64.79 -41.00 0.45 0.00 99.54 0.05 0.02 0.31 99.37 0.24 0.00 0.00 0.00 62 Y H H 85.25 10.64 21.45 32.15 92.22 49.75 -65.45 -41.70 0.46 0.00 99.54 0.05 0.02 0.32 99.33 0.28 0.00 0.00 0.00 63 L H H 23.30 19.23 18.72 37.44 92.19 49.76 -64.72 -42.03 0.60 0.00 99.40 0.06 0.03 0.42 99.13 0.36 0.00 0.00 0.00 64 V H H 57.57 9.49 21.10 31.07 91.86 50.83 -64.07 -41.51 1.09 0.00 98.90 0.11 0.07 0.80 98.38 0.65 0.00 0.00 0.00 65 G H H 30.50 5.06 21.83 27.35 92.20 51.20 -64.57 -40.27 5.01 0.01 94.98 0.37 0.28 4.11 93.42 1.81 0.01 0.00 0.00 66 L H H 35.03 14.80 18.87 33.81 92.44 50.43 -66.17 -40.59 11.18 0.04 88.78 0.86 0.79 9.27 85.96 3.05 0.03 0.02 0.02 67 F H H 41.86 17.71 16.96 34.04 94.51 50.71 -72.46 -34.34 21.28 0.44 78.28 5.63 3.44 12.99 73.28 4.14 0.08 0.22 0.21 68 E H H 111.92 5.37 20.47 26.46 93.75 58.37 -67.61 -34.97 37.65 0.78 61.57 9.71 5.94 22.50 57.23 3.77 0.08 0.40 0.36 69 D C H 78.98 6.99 19.64 26.95 98.16 48.54 -82.70 -15.24 51.80 0.70 47.49 16.04 8.19 27.61 43.40 4.04 0.03 0.33 0.35 70 T C H 35.32 17.05 16.32 32.38 99.30 61.85 -81.65 -19.59 53.81 1.00 45.19 20.29 12.76 20.91 41.18 3.89 0.04 0.48 0.46 71 N H H 77.75 10.55 21.16 31.29 96.28 91.46 -63.12 -20.29 40.99 1.08 57.93 19.12 6.69 15.94 53.48 3.73 0.04 0.58 0.42 72 L H H 50.54 10.61 21.14 32.16 93.68 81.21 -65.78 -40.33 13.17 1.07 85.76 5.94 2.49 5.79 79.06 5.55 0.07 0.85 0.24 73 C H H 18.99 15.31 18.69 34.46 92.63 51.36 -65.46 -40.74 7.67 1.63 90.69 3.19 1.27 3.75 83.27 6.61 0.07 1.65 0.19 74 A H H 21.37 11.84 17.50 30.73 92.58 52.26 -64.86 -40.78 6.70 2.23 91.07 2.82 1.11 3.20 83.67 6.49 0.08 2.44 0.20 75 I H H 74.90 6.94 19.18 26.76 92.88 50.20 -66.76 -41.03 8.81 2.74 88.45 3.10 1.41 4.72 83.18 4.51 0.14 2.66 0.28 76 H H H 89.75 8.85 17.68 27.04 93.61 48.69 -69.99 -33.77 18.40 2.53 79.07 5.06 2.84 11.12 74.86 3.35 0.25 2.04 0.48 77 A C H 34.62 12.68 13.39 26.65 96.36 50.24 -82.26 -8.97 51.85 1.52 46.63 10.65 6.88 33.07 45.10 2.73 0.12 0.89 0.56 78 K C T 154.99 2.65 17.54 21.06 95.63 -121.27 54.61 31.36 76.65 0.69 22.66 12.87 10.02 52.12 21.32 2.96 0.01 0.35 0.34 79 R C T 112.66 8.64 14.53 24.02 121.32 108.05 -111.31 140.23 86.63 2.13 11.24 30.40 21.22 35.33 7.90 3.15 0.01 1.18 0.80 80 V C C 87.55 8.54 15.28 24.53 101.39 -145.54 -92.22 -6.60 87.11 8.06 4.83 45.89 31.01 10.60 2.89 2.05 0.01 5.69 1.85 81 T C C 70.67 5.85 20.63 27.07 128.55 58.77 -123.36 144.91 84.53 12.42 3.05 56.19 23.25 5.30 1.55 1.60 0.00 9.80 2.30 82 I C C 28.62 21.22 12.01 32.66 112.28 -126.14 -90.56 122.81 85.42 12.80 1.79 71.79 11.61 1.38 1.04 0.88 0.00 6.98 6.32 83 M C C 72.64 7.29 19.89 27.88 122.53 -159.69 -92.07 153.89 98.84 0.55 0.60 96.40 2.44 0.09 0.66 0.03 0.00 0.22 0.17 84 P H H 78.24 7.36 16.16 24.73 91.27 -109.50 -57.70 -38.57 2.72 0.00 97.27 0.43 0.26 1.76 96.74 0.81 0.00 0.00 0.00 85 K H H 122.10 3.36 20.63 24.25 91.67 53.93 -64.33 -38.71 1.17 0.00 98.83 0.14 0.07 0.79 98.26 0.73 0.00 0.00 0.00 86 D H H 17.91 18.10 16.83 34.99 92.09 50.81 -65.48 -40.91 0.41 0.00 99.59 0.08 0.03 0.21 99.05 0.62 0.00 0.00 0.00 87 I H H 20.35 18.58 17.90 36.36 91.66 50.76 -64.09 -42.02 0.14 0.00 99.86 0.02 0.01 0.07 99.79 0.11 0.00 0.00 0.00 88 Q H H 90.23 4.15 24.24 28.17 91.37 50.79 -63.23 -42.22 0.15 0.00 99.85 0.02 0.00 0.08 99.86 0.04 0.00 0.00 0.00 89 L H H 40.89 9.44 21.83 32.40 91.70 50.23 -64.09 -42.44 0.15 0.00 99.85 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 90 A H H 5.38 20.12 16.75 37.66 91.24 51.07 -62.91 -42.71 0.22 0.00 99.78 0.02 0.01 0.13 99.77 0.07 0.00 0.00 0.00 91 R H H 82.26 9.76 19.47 29.91 91.56 50.96 -63.69 -41.19 0.65 0.00 99.35 0.08 0.04 0.41 99.26 0.21 0.00 0.00 0.00 92 R H H 131.18 3.12 20.05 23.21 91.79 50.73 -64.78 -40.93 1.55 0.01 98.44 0.17 0.09 1.11 98.14 0.50 0.00 0.00 0.00 93 I H H 51.86 13.04 15.69 29.21 92.47 50.03 -66.78 -36.18 6.27 0.03 93.70 0.37 0.36 5.33 93.24 0.66 0.01 0.01 0.01 94 R C T 90.69 11.43 14.04 26.00 95.07 46.36 -85.13 -5.52 56.99 0.09 42.93 1.01 2.11 52.31 43.38 1.10 0.02 0.03 0.06 95 G C T 54.49 2.65 14.86 18.49 98.34 -104.93 79.28 11.27 93.60 0.16 6.24 6.96 4.92 81.34 5.94 0.70 0.00 0.06 0.08 96 E C C 107.86 5.84 10.55 18.10 107.82 126.77 -87.68 100.84 96.58 0.46 2.97 89.63 2.13 5.27 1.78 0.70 0.00 0.17 0.32 97 R C C 152.16 4.90 13.07 19.76 110.25 66.63 -91.10 112.38 99.88 0.05 0.08 99.60 0.21 0.12 0.03 0.02 0.00 0.02 0.01