# 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 P C C 98.03 3.39 14.42 18.89 108.99 -100.56 -69.36 131.91 99.96 0.02 0.01 99.75 0.16 0.07 0.00 0.00 0.00 0.01 0.00 1 H C C 114.46 7.71 9.60 18.60 114.42 -134.43 -91.31 130.18 96.35 1.66 2.00 92.39 1.53 2.84 0.58 0.97 0.00 0.77 0.92 2 R C C 163.69 2.75 12.69 16.85 108.75 -159.57 -96.02 86.34 94.86 2.48 2.66 68.36 19.04 7.17 0.54 2.26 0.00 1.27 1.35 3 Y C C 98.75 11.81 8.66 20.59 119.05 -126.79 -100.16 134.66 94.78 3.54 1.67 72.67 18.52 2.75 0.55 1.09 0.00 1.21 3.20 4 R C C 142.68 3.56 13.67 18.79 118.31 -139.73 -94.71 141.29 99.19 0.47 0.35 87.31 11.06 0.76 0.17 0.13 0.00 0.15 0.42 5 P C T 101.21 4.12 12.02 17.87 110.00 -99.35 -61.05 138.72 95.48 0.16 4.36 4.96 5.63 85.27 2.04 1.89 0.00 0.07 0.14 6 G C T 55.90 2.26 14.39 17.35 97.42 21.92 85.35 -2.92 94.40 0.14 5.45 5.94 6.63 82.22 2.77 2.28 0.00 0.07 0.10 7 T C C 43.67 9.06 10.97 21.87 115.61 121.91 -84.69 144.71 78.04 2.70 19.26 59.44 15.45 2.39 18.39 1.47 0.00 0.64 2.21 8 V H H 86.78 3.89 16.44 21.24 94.08 -138.57 -63.59 -38.73 4.36 0.04 95.60 1.62 0.81 1.95 94.83 0.76 0.00 0.01 0.02 9 A H H 36.22 9.36 15.66 26.37 92.10 52.83 -64.31 -41.17 2.24 0.02 97.74 0.67 0.27 1.23 97.00 0.81 0.00 0.01 0.00 10 L H H 47.47 10.32 15.38 27.11 91.81 49.71 -65.00 -40.71 0.85 0.01 99.14 0.27 0.09 0.42 98.65 0.58 0.00 0.00 0.00 11 R H H 114.70 3.72 18.80 22.94 91.84 51.59 -64.13 -41.21 0.43 0.00 99.57 0.12 0.04 0.20 99.47 0.18 0.00 0.00 0.00 12 E H H 85.96 4.91 19.07 24.65 91.72 50.22 -64.70 -41.33 0.55 0.00 99.44 0.10 0.04 0.31 99.42 0.12 0.00 0.00 0.00 13 I H H 40.18 12.70 15.98 29.63 92.18 50.17 -64.74 -42.01 0.61 0.00 99.39 0.11 0.04 0.35 99.37 0.13 0.00 0.00 0.00 14 R H H 114.79 5.49 18.55 24.89 91.75 51.40 -63.84 -40.95 0.78 0.00 99.22 0.14 0.06 0.45 99.09 0.26 0.00 0.00 0.00 15 R H H 128.36 2.60 19.35 21.57 92.14 50.22 -64.91 -41.09 2.10 0.01 97.89 0.28 0.16 1.45 97.57 0.54 0.00 0.00 0.00 16 Y H H 74.09 9.95 15.74 26.85 92.49 49.37 -66.33 -39.67 4.43 0.02 95.55 0.78 0.47 2.88 95.06 0.79 0.01 0.01 0.01 17 Q H H 72.03 11.26 15.15 26.88 92.36 53.64 -64.79 -38.84 9.51 0.06 90.43 2.31 1.15 5.69 89.07 1.71 0.01 0.02 0.03 18 K H H 138.41 1.92 18.48 19.90 92.78 51.19 -68.71 -34.49 22.22 0.09 77.68 2.73 2.29 16.70 75.93 2.23 0.03 0.04 0.05 19 S H H 54.32 4.76 16.81 22.32 98.85 46.37 -83.88 -24.99 43.28 0.22 56.51 13.16 5.21 24.52 54.27 2.62 0.01 0.08 0.14 20 T H H 32.61 15.47 13.23 28.53 94.87 65.95 -66.58 -38.88 15.97 0.13 83.90 8.58 2.99 4.72 81.62 1.99 0.00 0.05 0.05 21 E H H 105.08 6.24 17.50 24.68 93.04 58.37 -63.53 -39.47 6.02 0.05 93.93 1.78 0.90 3.32 91.22 2.72 0.01 0.03 0.02 22 L H H 80.49 3.33 18.70 22.17 92.39 51.30 -65.33 -40.98 4.04 0.05 95.90 1.11 0.56 2.43 92.44 3.39 0.01 0.04 0.01 23 L H H 41.50 11.56 16.01 28.72 92.56 50.67 -65.44 -41.48 2.88 0.03 97.08 0.72 0.37 1.73 93.25 3.89 0.00 0.02 0.01 24 I H H 34.49 16.60 14.46 30.93 92.68 50.56 -65.81 -38.84 4.29 0.03 95.68 0.53 0.37 3.12 88.35 7.59 0.01 0.02 0.01 25 R H H 143.71 4.19 18.39 23.57 92.44 54.39 -67.86 -29.22 20.79 0.03 79.18 0.70 0.85 19.33 72.87 6.20 0.03 0.01 0.02 26 K H H 123.89 4.14 18.21 22.85 95.95 49.70 -87.71 -10.22 45.76 0.06 54.19 1.72 2.59 41.09 48.97 5.52 0.02 0.02 0.06 27 L C C 30.29 17.75 11.85 29.24 109.64 100.07 -78.36 116.33 66.82 0.24 32.93 33.56 26.97 4.49 33.32 1.42 0.00 0.05 0.18 28 P H H 64.49 5.88 20.34 26.96 93.65 -141.85 -63.26 -34.59 20.26 0.08 79.66 6.90 2.27 10.75 77.47 2.53 0.01 0.03 0.05 29 F H H 43.63 16.54 17.18 33.38 92.93 54.41 -66.18 -38.02 8.01 0.04 91.95 2.16 0.84 4.80 89.82 2.33 0.01 0.02 0.02 30 Q H H 58.63 13.64 18.22 31.74 91.94 54.50 -63.41 -40.55 1.35 0.01 98.64 0.51 0.14 0.60 97.66 1.08 0.00 0.00 0.00 31 R H H 121.58 3.75 22.53 26.06 91.80 50.95 -64.84 -40.84 0.72 0.00 99.28 0.19 0.06 0.38 98.92 0.45 0.00 0.00 0.00 32 L H H 45.95 10.15 20.27 31.25 91.98 50.57 -64.51 -42.45 0.54 0.00 99.45 0.11 0.04 0.30 99.29 0.25 0.00 0.00 0.00 33 V H H 14.57 19.27 17.08 36.37 91.75 50.21 -64.07 -42.53 0.38 0.00 99.62 0.07 0.02 0.21 99.57 0.12 0.00 0.00 0.00 34 R H H 108.09 8.14 20.58 29.24 91.53 51.47 -63.13 -41.23 0.48 0.00 99.52 0.07 0.03 0.29 99.45 0.16 0.00 0.00 0.00 35 E H H 96.00 2.99 22.32 24.49 91.69 49.84 -64.68 -41.56 1.04 0.00 98.96 0.12 0.06 0.72 98.82 0.28 0.00 0.00 0.00 36 I H H 32.44 12.33 17.89 31.37 92.29 49.40 -65.14 -41.63 1.93 0.01 98.06 0.26 0.15 1.29 97.66 0.63 0.00 0.00 0.00 37 A H H 15.93 15.38 13.74 29.99 91.79 52.56 -64.72 -37.97 4.90 0.02 95.08 0.76 0.40 3.37 92.84 2.62 0.00 0.01 0.01 38 Q H H 114.90 2.82 17.76 20.99 92.36 53.71 -66.02 -36.33 18.03 0.03 81.94 1.14 1.03 15.62 76.95 5.20 0.02 0.02 0.02 39 D H H 96.70 2.81 16.60 19.65 94.04 50.88 -75.53 -25.02 31.70 0.07 68.22 2.36 2.37 26.75 63.74 4.67 0.03 0.03 0.05 40 F C H 70.18 12.57 10.48 23.29 102.32 59.26 -92.14 16.15 61.74 0.81 37.45 29.31 13.04 20.15 32.46 4.19 0.02 0.27 0.57 41 K C C 138.12 3.80 13.47 18.74 102.61 107.64 -70.69 26.10 83.81 0.86 15.33 57.06 9.25 16.84 12.32 3.58 0.00 0.39 0.56 42 T C C 88.89 4.47 11.50 17.35 103.80 81.24 -90.46 -7.05 81.10 0.84 18.06 40.90 22.13 18.22 11.89 5.96 0.00 0.34 0.56 43 D C C 97.57 4.14 12.71 17.80 105.39 61.34 -86.13 66.42 76.15 0.88 22.97 43.51 17.68 14.97 14.16 8.74 0.00 0.36 0.57 44 L C C 92.32 7.82 11.43 20.37 100.02 86.56 -75.07 -6.50 61.82 1.34 36.84 37.16 11.69 12.51 21.91 15.42 0.01 0.66 0.65 45 R C C 141.62 4.42 15.77 21.21 99.77 78.52 -78.69 -10.59 56.96 2.84 40.20 35.83 9.83 11.04 26.10 14.50 0.02 1.61 1.06 46 F C C 70.37 13.93 12.19 25.95 103.28 67.50 -85.31 18.47 54.34 3.28 42.38 38.00 8.57 7.91 31.34 11.12 0.01 1.79 1.25 47 Q C H 88.06 7.41 16.57 24.72 106.88 93.13 -79.19 119.09 49.97 1.06 48.97 38.49 6.19 4.86 46.80 2.78 0.00 0.47 0.41 48 S H H 65.58 5.89 16.05 22.87 94.65 4.12 -65.39 -38.20 16.19 0.15 83.66 8.08 3.40 4.88 82.07 1.45 0.00 0.05 0.06 49 S H H 65.47 3.04 19.46 22.23 93.11 51.23 -66.83 -38.96 6.22 0.05 93.72 2.56 0.97 2.63 92.82 0.97 0.00 0.02 0.02 50 A H H 20.87 12.58 16.30 30.08 92.38 51.16 -65.41 -41.54 2.15 0.02 97.82 0.96 0.27 0.90 97.27 0.58 0.00 0.01 0.01 51 V H H 30.12 15.13 17.05 32.47 92.02 49.93 -64.14 -42.22 0.88 0.01 99.11 0.36 0.10 0.37 98.89 0.26 0.00 0.01 0.00 52 M H H 93.75 3.91 22.25 26.02 91.70 50.17 -64.10 -41.42 0.53 0.01 99.46 0.20 0.06 0.24 99.37 0.13 0.00 0.00 0.00 53 A H H 43.94 5.55 21.14 27.38 91.73 50.64 -64.12 -41.72 0.45 0.00 99.54 0.12 0.04 0.23 99.51 0.10 0.00 0.00 0.00 54 L H H 31.02 16.15 17.98 34.21 92.27 50.20 -64.60 -41.70 0.32 0.00 99.68 0.07 0.02 0.17 99.66 0.07 0.00 0.00 0.00 55 Q H H 72.97 11.86 20.32 31.97 91.88 50.95 -63.43 -41.38 0.31 0.00 99.68 0.06 0.02 0.17 99.69 0.05 0.00 0.00 0.00 56 E H H 110.35 2.76 23.58 25.58 91.70 49.63 -64.96 -41.29 0.42 0.00 99.58 0.06 0.02 0.24 99.61 0.06 0.00 0.00 0.00 57 A H H 38.20 7.78 20.79 29.54 92.00 49.95 -65.19 -41.42 0.65 0.00 99.35 0.10 0.04 0.37 99.41 0.08 0.00 0.00 0.00 58 S H H 18.36 16.60 17.95 34.67 91.90 51.14 -64.48 -41.00 0.86 0.00 99.14 0.16 0.05 0.48 99.20 0.10 0.00 0.00 0.00 59 E H H 87.45 8.94 21.49 30.58 91.95 51.50 -63.79 -40.75 0.41 0.00 99.59 0.05 0.02 0.24 99.62 0.07 0.00 0.00 0.00 60 A H H 55.07 3.81 22.76 26.28 91.61 51.39 -64.76 -40.86 0.22 0.00 99.78 0.03 0.01 0.14 99.78 0.05 0.00 0.00 0.00 61 Y H H 77.87 11.87 20.94 32.79 92.17 49.74 -65.12 -41.67 0.17 0.00 99.83 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 62 L H H 32.04 17.38 19.21 36.16 91.96 50.25 -63.91 -42.26 0.16 0.00 99.84 0.02 0.00 0.10 99.83 0.05 0.00 0.00 0.00 63 V H H 64.85 6.86 22.56 29.78 91.76 50.38 -63.91 -41.98 0.21 0.00 99.79 0.02 0.01 0.13 99.77 0.07 0.00 0.00 0.00 64 A H H 42.45 5.93 22.27 28.83 91.65 50.69 -64.35 -41.49 0.61 0.00 99.39 0.05 0.03 0.43 99.29 0.20 0.00 0.00 0.00 65 L H H 27.34 16.72 19.23 35.82 92.24 49.98 -64.97 -42.09 2.00 0.00 98.00 0.15 0.11 1.54 97.75 0.45 0.00 0.00 0.00 66 F H H 54.58 15.18 19.43 34.24 92.31 50.47 -65.10 -40.93 5.05 0.03 94.92 0.83 0.53 3.37 94.30 0.93 0.01 0.01 0.01 67 E H H 108.83 4.08 23.16 27.21 92.22 51.61 -65.78 -39.43 12.57 0.08 87.35 2.07 1.38 8.67 86.42 1.35 0.03 0.03 0.04 68 D H H 60.26 9.61 21.34 31.05 94.42 47.34 -71.28 -35.34 24.29 0.15 75.55 5.55 2.81 15.13 74.53 1.82 0.02 0.07 0.07 69 T H H 20.99 19.52 17.99 36.66 93.70 53.88 -68.02 -37.73 26.30 0.33 73.37 8.64 4.23 13.75 70.41 2.63 0.04 0.15 0.16 70 N H H 72.99 10.04 22.59 32.41 92.74 56.40 -64.44 -39.34 20.82 0.32 78.86 7.50 2.79 10.86 75.89 2.64 0.03 0.17 0.13 71 L H H 68.68 6.41 23.79 30.32 92.25 51.40 -65.28 -41.87 9.50 0.32 90.18 3.41 1.61 4.97 85.93 3.72 0.05 0.20 0.10 72 C H H 17.00 15.14 19.04 34.86 92.44 50.36 -65.05 -41.67 6.15 0.49 93.36 2.17 1.00 3.36 88.24 4.71 0.05 0.39 0.09 73 A H H 16.70 14.24 17.00 32.28 92.30 51.89 -64.36 -41.07 6.58 0.64 92.78 2.30 1.03 3.58 87.51 4.85 0.06 0.56 0.11 74 I H H 88.39 4.86 20.18 25.17 92.64 49.96 -65.86 -40.73 9.61 0.75 89.64 2.59 1.42 5.99 85.43 3.70 0.11 0.60 0.16 75 H H H 103.37 6.12 18.36 25.01 93.01 48.42 -69.17 -32.20 18.87 0.75 80.38 3.95 2.81 12.73 77.12 2.53 0.16 0.46 0.25 76 A C H 30.37 13.66 12.43 26.57 96.12 51.38 -82.35 -8.46 57.01 0.92 42.07 13.34 8.76 33.84 40.72 2.42 0.05 0.40 0.46 77 K C T 159.61 2.12 17.97 20.54 95.38 -126.12 57.88 32.49 82.09 0.48 17.43 15.55 13.01 52.61 15.56 2.75 0.01 0.21 0.29 78 R C C 110.15 8.72 14.47 24.08 126.22 99.23 -120.00 144.18 90.51 1.26 8.22 33.39 26.84 30.60 5.40 2.57 0.00 0.59 0.62 79 V C C 89.86 8.24 15.14 24.26 99.46 -144.38 -90.17 -11.35 92.21 4.39 3.39 47.54 37.41 7.77 1.63 1.63 0.00 2.62 1.41 80 T C C 73.50 4.90 21.02 26.47 128.18 57.06 -122.38 144.59 90.30 7.56 2.15 63.46 22.64 4.45 0.81 1.31 0.00 5.41 1.92 81 I C C 31.49 21.15 11.71 32.19 112.06 -128.98 -91.08 122.56 90.83 7.78 1.40 78.05 11.27 1.17 0.77 0.68 0.00 3.70 4.37 82 M C C 73.31 6.94 20.19 27.73 125.40 -168.75 -102.51 155.98 99.16 0.37 0.47 95.84 3.28 0.07 0.52 0.02 0.00 0.12 0.14 83 P H H 80.11 6.98 16.46 24.67 90.96 -107.94 -57.89 -38.08 2.10 0.00 97.89 0.23 0.18 1.45 97.46 0.68 0.00 0.00 0.00 84 K H H 119.50 3.68 20.81 24.86 91.54 54.48 -63.96 -38.66 0.83 0.00 99.17 0.08 0.04 0.57 98.71 0.60 0.00 0.00 0.00 85 D H H 15.52 18.73 16.59 35.41 92.01 51.02 -65.16 -41.22 0.22 0.00 99.78 0.04 0.01 0.12 99.41 0.42 0.00 0.00 0.00 86 I H H 22.30 17.92 18.34 36.20 91.64 50.74 -64.10 -42.05 0.07 0.00 99.93 0.01 0.00 0.04 99.88 0.07 0.00 0.00 0.00 87 Q H H 91.79 3.75 24.84 28.21 91.39 50.75 -63.19 -42.18 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 88 L H H 33.87 10.36 21.72 33.33 91.60 50.24 -63.89 -42.50 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 89 A H H 4.95 20.64 16.65 38.08 91.35 51.22 -62.75 -42.94 0.16 0.00 99.84 0.01 0.00 0.09 99.83 0.06 0.00 0.00 0.00 90 R H H 86.43 9.14 19.71 29.56 91.46 51.00 -63.65 -40.90 0.55 0.00 99.45 0.05 0.03 0.36 99.34 0.21 0.00 0.00 0.00 91 R H H 133.69 3.00 20.20 23.16 91.88 50.68 -64.81 -40.81 1.41 0.00 98.59 0.11 0.07 1.05 98.23 0.53 0.00 0.00 0.00 92 I H H 50.20 13.37 15.49 29.28 92.65 49.49 -67.52 -36.57 6.10 0.02 93.88 0.31 0.34 5.28 93.39 0.66 0.01 0.01 0.01 93 R C H 94.66 10.88 13.93 25.39 95.64 46.01 -84.99 -6.40 52.73 0.10 47.17 1.17 2.51 47.36 47.65 1.19 0.02 0.03 0.07 94 G C T 54.26 2.66 14.51 18.15 98.93 -104.61 78.26 10.48 93.90 0.19 5.91 9.05 6.37 78.34 5.26 0.80 0.00 0.07 0.10 95 E C C 111.08 5.46 10.36 17.57 108.81 126.01 -87.35 108.49 96.93 0.37 2.71 90.19 1.92 5.39 1.39 0.73 0.00 0.15 0.25 96 R C C 155.07 4.49 12.97 19.30 110.78 99.94 -93.43 113.17 99.92 0.04 0.04 99.75 0.13 0.07 0.01 0.01 0.00 0.02 0.01