# 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 H C C 114.73 6.47 12.63 20.39 118.43 -170.29 -107.93 130.46 99.79 0.08 0.12 99.68 0.10 0.08 0.08 0.00 0.00 0.03 0.02 1 R C C 148.58 4.66 10.47 16.75 111.61 -151.86 -89.25 120.30 63.69 1.59 34.71 57.14 1.38 5.56 31.47 2.98 0.00 0.90 0.56 2 K C H 132.80 3.49 11.03 16.08 107.41 -141.46 -82.78 107.46 50.18 3.08 46.73 37.03 6.57 7.23 40.58 5.74 0.01 2.01 0.82 3 V H H 80.83 6.24 10.71 18.42 105.25 -135.51 -84.49 -4.08 36.82 4.87 58.31 27.03 5.56 6.04 48.27 8.43 0.03 3.65 0.99 4 L H H 78.27 8.75 11.35 21.05 102.64 58.71 -79.62 -13.45 31.13 4.02 64.84 22.11 5.01 5.89 52.29 10.79 0.03 3.04 0.84 5 R H H 129.83 6.83 13.18 21.09 99.93 65.95 -74.51 -27.47 32.09 2.45 65.45 19.71 5.69 8.39 52.22 11.59 0.04 1.67 0.68 6 D H H 92.77 4.90 14.28 20.29 98.79 64.78 -76.89 -19.34 37.88 1.13 60.99 14.37 6.93 16.92 46.53 14.03 0.09 0.67 0.46 7 N H H 89.44 6.58 15.11 22.58 100.96 53.04 -88.05 12.52 48.89 1.19 49.92 16.65 8.37 24.19 35.35 14.12 0.08 0.65 0.60 8 I C C 46.20 17.04 10.54 26.53 100.96 99.70 -89.17 8.74 62.00 4.07 33.93 34.68 9.42 18.55 20.55 12.54 0.05 2.20 2.02 9 Q C T 124.73 3.96 15.41 21.13 108.33 123.39 -74.98 121.55 83.77 2.46 13.77 15.91 7.86 59.81 9.01 4.81 0.02 1.46 1.10 10 G C T 53.91 3.21 17.85 21.47 98.98 20.26 83.56 -1.27 92.69 1.32 5.99 13.75 12.24 67.13 2.21 3.36 0.00 0.90 0.40 11 I C C 31.17 19.60 9.14 27.64 115.80 118.48 -89.94 130.25 95.72 3.41 0.87 80.18 14.51 0.73 0.59 0.29 0.00 1.29 2.42 12 T C C 70.94 3.28 21.15 23.82 122.86 -142.46 -88.23 160.82 97.21 2.00 0.78 95.58 1.52 0.22 0.68 0.08 0.00 0.56 1.35 13 K H H 109.87 10.48 13.92 25.06 92.25 -105.66 -58.07 -40.22 2.33 0.01 97.66 0.53 0.39 1.14 97.65 0.28 0.00 0.00 0.00 14 P H H 79.99 2.17 19.42 20.77 91.28 52.17 -63.28 -39.68 1.34 0.00 98.65 0.23 0.11 0.82 98.49 0.34 0.00 0.00 0.00 15 A H H 29.59 7.85 17.27 27.02 91.81 50.65 -64.64 -40.89 0.49 0.00 99.51 0.12 0.04 0.24 99.29 0.30 0.00 0.00 0.00 16 I H H 15.24 19.41 14.20 33.73 91.93 50.13 -64.34 -42.36 0.33 0.01 99.66 0.08 0.04 0.15 99.62 0.10 0.00 0.00 0.00 17 R H H 112.60 7.02 19.64 27.38 91.59 50.72 -63.30 -41.36 0.56 0.01 99.43 0.14 0.06 0.27 99.47 0.06 0.00 0.00 0.00 18 R H H 128.08 2.16 21.59 22.46 91.78 49.79 -64.37 -42.15 0.74 0.01 99.25 0.16 0.08 0.38 99.30 0.07 0.00 0.01 0.00 19 L H H 38.86 10.53 17.23 29.24 92.11 49.66 -64.77 -41.92 1.01 0.03 98.97 0.22 0.12 0.56 98.92 0.17 0.00 0.01 0.00 20 A H H 18.33 14.24 13.15 28.42 91.91 51.32 -63.55 -41.19 2.28 0.03 97.69 0.48 0.20 1.41 97.41 0.46 0.00 0.02 0.01 21 R H H 162.01 1.96 16.96 19.22 92.12 50.08 -65.10 -38.93 5.45 0.05 94.50 0.73 0.42 4.03 93.73 1.03 0.02 0.03 0.02 22 R H H 166.86 1.62 15.23 16.89 92.60 51.85 -68.30 -30.14 14.00 0.07 85.92 0.81 0.99 12.22 84.60 1.27 0.05 0.03 0.04 23 G C T 38.72 7.28 11.76 20.39 95.94 49.32 -86.74 -4.67 65.98 0.09 33.93 1.29 3.07 60.04 34.01 1.47 0.02 0.03 0.07 24 G C T 58.24 1.35 16.57 17.18 96.81 -109.30 80.89 11.56 99.21 0.10 0.68 11.17 5.27 82.93 0.29 0.24 0.00 0.06 0.03 25 V C C 46.91 13.76 7.40 21.04 113.97 148.22 -83.52 128.46 95.48 3.66 0.86 93.31 1.86 0.65 0.30 0.38 0.00 2.44 1.06 26 K C C 165.75 1.07 16.41 16.73 99.95 -173.08 -91.01 -21.99 94.58 4.59 0.83 64.78 26.52 3.45 0.17 0.72 0.00 3.71 0.64 27 R C C 155.37 2.53 16.94 20.21 126.41 23.66 -131.14 138.81 70.76 27.95 1.29 55.30 11.83 3.27 0.33 1.11 0.00 25.20 2.95 28 I C C 51.78 17.68 8.79 25.10 119.93 -167.06 -116.04 130.07 53.20 45.72 1.07 49.13 2.47 0.46 0.78 0.45 0.00 33.35 13.36 29 S C C 61.84 3.22 16.49 20.17 124.37 -162.65 -100.24 164.23 85.13 13.43 1.44 81.43 2.78 0.87 0.98 0.41 0.00 12.24 1.29 30 G H H 50.33 2.92 15.17 18.72 101.91 -36.91 -4.17 -52.57 34.28 0.50 65.23 4.71 9.31 21.33 58.33 5.63 0.20 0.22 0.27 31 L H H 106.18 2.55 15.20 17.94 93.56 38.80 -68.03 -34.83 21.46 0.26 78.29 3.38 3.33 15.22 71.66 6.03 0.11 0.13 0.13 32 I H H 56.02 9.03 14.10 24.59 92.73 53.19 -65.14 -41.17 11.04 0.28 88.68 3.83 1.80 6.12 82.35 5.59 0.04 0.17 0.10 33 Y H H 70.43 12.27 14.06 26.99 92.04 52.54 -63.34 -42.07 3.36 0.07 96.57 1.48 0.51 1.51 94.88 1.56 0.01 0.04 0.02 34 E H H 117.57 2.50 19.09 21.47 92.02 50.00 -64.61 -41.02 2.10 0.02 97.88 0.58 0.24 1.20 96.88 1.07 0.00 0.01 0.01 35 E H H 105.38 3.25 19.51 22.70 92.53 48.17 -66.04 -41.21 3.46 0.01 96.52 0.46 0.30 2.52 95.65 1.06 0.01 0.01 0.01 36 T H H 26.61 14.46 16.11 31.10 93.07 47.55 -67.57 -40.65 6.14 0.02 93.84 0.71 0.51 4.60 93.44 0.73 0.01 0.01 0.01 37 R H H 91.87 11.45 18.12 29.66 91.73 53.05 -62.82 -41.39 2.57 0.01 97.42 0.43 0.20 1.69 97.37 0.30 0.00 0.00 0.00 38 G H H 34.79 2.93 20.83 23.38 91.71 50.97 -63.65 -41.54 2.57 0.00 97.43 0.28 0.16 1.93 97.27 0.36 0.00 0.00 0.00 39 V H H 62.58 5.94 20.21 26.93 91.79 49.70 -64.64 -41.93 0.54 0.00 99.46 0.09 0.03 0.33 99.39 0.16 0.00 0.00 0.00 40 L H H 32.07 15.27 16.64 32.35 91.87 50.61 -64.19 -41.89 0.13 0.00 99.87 0.02 0.00 0.07 99.86 0.05 0.00 0.00 0.00 41 K H H 100.66 7.06 19.68 27.35 91.82 51.79 -63.57 -41.27 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 42 V H H 79.47 2.64 21.14 22.89 91.63 49.86 -64.07 -42.65 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 43 F H H 76.72 8.76 19.39 28.92 91.87 48.82 -64.74 -42.27 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 44 L H H 38.03 14.43 17.06 31.89 91.99 50.31 -64.76 -41.56 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 45 E H H 96.20 4.80 20.48 25.69 91.79 51.12 -64.00 -41.27 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 46 N H H 77.26 3.77 21.19 24.81 92.01 49.43 -65.85 -40.72 0.36 0.00 99.64 0.02 0.01 0.25 99.69 0.02 0.00 0.00 0.00 47 V H H 34.31 12.63 18.35 31.74 92.31 49.35 -64.73 -42.77 0.51 0.00 99.49 0.05 0.03 0.32 99.57 0.04 0.00 0.00 0.00 48 I H H 54.79 11.58 18.84 30.92 91.70 50.24 -63.87 -42.48 0.37 0.00 99.63 0.07 0.02 0.20 99.62 0.08 0.00 0.00 0.00 49 R H H 135.67 2.44 22.85 24.43 91.58 49.93 -63.90 -41.86 0.41 0.00 99.59 0.06 0.03 0.26 99.56 0.10 0.00 0.00 0.00 50 D H H 63.73 5.68 21.17 27.27 91.97 48.63 -65.32 -40.88 0.80 0.00 99.20 0.10 0.05 0.55 99.16 0.13 0.00 0.00 0.00 51 A H H 16.65 15.01 16.43 32.37 91.98 51.14 -63.96 -41.82 1.17 0.01 98.82 0.18 0.09 0.76 98.75 0.21 0.00 0.00 0.00 52 V H H 62.66 6.70 19.84 27.36 91.82 50.01 -64.32 -41.51 2.01 0.03 97.96 0.38 0.22 1.24 97.85 0.29 0.00 0.01 0.01 53 T H H 72.43 2.24 21.50 22.37 91.85 49.65 -64.39 -42.13 3.52 0.07 96.41 0.83 0.44 2.09 96.10 0.48 0.01 0.04 0.02 54 Y H H 76.03 8.19 17.29 26.73 92.32 48.83 -65.85 -40.94 4.68 0.13 95.18 1.23 0.69 2.80 94.08 1.07 0.02 0.07 0.04 55 T H H 28.93 12.01 13.04 26.42 92.19 51.55 -66.13 -39.21 7.12 0.14 92.74 2.18 0.93 3.91 91.20 1.65 0.01 0.08 0.04 56 E H H 126.95 2.07 16.80 18.82 92.51 52.01 -65.86 -38.50 12.90 0.10 87.01 1.91 1.29 9.31 85.59 1.79 0.03 0.05 0.04 57 H H H 137.89 1.62 14.76 16.11 93.93 47.87 -73.75 -26.90 23.85 0.15 76.00 2.83 2.95 17.87 74.58 1.59 0.04 0.06 0.08 58 A C T 46.03 9.23 8.97 19.14 100.13 59.66 -84.02 -4.18 65.68 0.54 33.78 15.48 14.81 33.77 33.42 1.96 0.02 0.17 0.36 59 K C T 178.07 0.64 14.62 13.90 96.16 -129.64 46.82 18.87 92.16 0.34 7.51 23.39 15.65 53.23 5.52 1.86 0.00 0.14 0.21 60 R C C 115.76 5.91 10.06 17.88 124.26 107.55 -110.75 145.91 93.41 0.95 5.65 61.05 20.41 12.00 3.05 2.46 0.00 0.40 0.64 61 K C S 160.77 2.17 13.96 17.16 97.17 -147.59 -83.17 -16.69 96.75 1.26 1.99 31.15 59.27 6.66 0.81 0.98 0.00 0.78 0.35 62 T C C 85.90 3.25 17.60 21.65 128.47 41.13 -131.89 143.84 73.70 23.97 2.32 45.28 25.04 4.48 1.05 1.43 0.00 19.04 3.67 63 V C C 31.41 18.59 10.25 28.28 118.94 -156.14 -111.83 129.57 66.56 32.68 0.75 61.62 4.81 0.26 0.70 0.21 0.00 24.66 7.74 64 T C C 62.44 4.30 21.80 25.81 124.44 -149.68 -92.99 163.21 80.71 18.76 0.53 81.31 1.06 0.12 0.51 0.07 0.00 14.69 2.23 65 A H H 51.71 12.05 14.11 26.73 91.05 -104.46 -58.33 -39.18 1.84 0.01 98.16 0.29 0.24 1.13 97.96 0.38 0.00 0.00 0.00 66 M H H 111.08 3.04 20.35 23.17 91.45 54.30 -64.03 -40.11 0.57 0.00 99.42 0.07 0.04 0.39 99.23 0.27 0.00 0.00 0.00 67 D H H 43.63 10.33 18.67 30.00 91.87 50.51 -65.29 -40.33 0.18 0.00 99.82 0.03 0.01 0.11 99.59 0.25 0.00 0.00 0.00 68 V H H 14.58 19.60 16.49 36.11 91.84 49.75 -64.17 -43.25 0.08 0.00 99.92 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 69 V H H 54.83 7.91 20.51 29.29 91.32 49.93 -63.35 -42.71 0.12 0.00 99.88 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 70 Y H H 106.13 3.24 22.55 25.22 91.56 48.99 -64.00 -42.10 0.25 0.00 99.75 0.02 0.01 0.18 99.71 0.08 0.00 0.00 0.00 71 A H H 13.61 12.28 16.67 30.93 91.33 50.94 -63.04 -42.76 0.61 0.00 99.38 0.06 0.03 0.43 99.28 0.20 0.00 0.00 0.00 72 L H H 31.86 13.76 15.07 29.80 91.99 49.99 -64.30 -41.14 1.82 0.01 98.17 0.28 0.15 1.22 97.74 0.59 0.00 0.00 0.00 73 K H H 133.34 2.78 17.03 20.53 91.94 50.70 -65.12 -39.30 4.49 0.02 95.49 0.60 0.33 3.23 94.54 1.28 0.01 0.01 0.01 74 R H H 153.10 2.60 15.40 18.71 92.82 51.01 -68.72 -32.36 12.89 0.06 87.06 1.02 0.95 10.61 85.95 1.40 0.02 0.02 0.03 75 Q C H 95.89 6.83 12.58 20.64 96.42 48.50 -87.27 -4.68 53.64 0.20 46.15 2.69 4.20 44.85 46.32 1.68 0.04 0.07 0.14 76 G C T 55.13 2.66 14.48 18.00 98.68 -111.29 78.91 12.27 95.05 0.32 4.63 19.20 9.52 66.65 3.32 1.03 0.00 0.15 0.13 77 R C C 118.62 7.03 11.79 20.43 119.48 130.22 -99.68 140.85 92.88 2.73 4.39 79.82 9.78 3.09 2.84 1.53 0.00 1.29 1.67 78 T C C 78.66 5.84 13.38 20.76 117.97 -143.07 -99.10 140.97 90.68 5.28 4.04 83.01 4.84 2.65 2.18 1.61 0.00 2.80 2.90 79 L C C 90.41 9.35 10.97 21.09 104.30 -135.97 -81.08 16.25 81.84 6.94 11.22 33.77 25.57 23.62 3.55 6.63 0.05 3.20 3.61 80 Y C T 153.62 4.54 12.13 17.90 105.77 32.35 -86.52 69.14 85.45 4.06 10.49 14.82 24.85 45.97 3.05 6.95 0.04 2.16 2.15 81 G C T 56.47 2.65 12.08 15.84 102.62 -29.28 80.86 -0.54 89.34 3.02 7.64 29.44 25.86 34.39 1.58 5.79 0.00 1.50 1.43 82 F C C 129.70 5.27 8.78 15.65 106.59 98.36 -93.24 37.19 89.76 5.55 4.69 57.10 15.62 17.00 1.43 2.98 0.00 2.55 3.32 83 G C C 54.54 2.86 11.25 15.68 108.53 -72.11 91.29 10.97 96.01 2.41 1.58 79.29 4.63 12.28 0.41 0.92 0.00 1.46 1.01 84 G C C 50.26 4.06 12.99 18.64 112.06 -52.97 86.90 -1.95 99.86 0.11 0.02 99.39 0.36 0.15 0.01 0.00 0.00 0.06 0.02