# 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 R C C 144.99 5.55 13.43 20.47 113.60 -155.45 -92.47 127.22 99.90 0.06 0.04 99.79 0.09 0.07 0.01 0.00 0.00 0.02 0.01 1 D C C 95.72 5.58 11.66 18.85 107.73 -149.66 -87.78 97.53 87.70 1.15 11.16 79.81 1.47 7.89 3.22 6.38 0.00 0.62 0.60 2 N C C 104.29 4.38 13.20 18.91 102.85 71.66 -90.52 27.46 81.27 2.11 16.62 46.54 14.54 20.23 3.65 12.87 0.00 1.08 1.09 3 I C C 52.37 15.69 9.30 24.09 101.12 109.81 -91.65 11.73 77.52 4.45 18.02 49.99 10.30 16.48 3.61 15.02 0.00 2.50 2.10 4 Q C T 126.60 3.51 14.81 20.10 108.98 122.38 -74.18 118.42 86.22 3.20 10.57 17.38 10.33 58.89 3.05 6.98 0.01 1.85 1.51 5 G C T 53.15 3.16 17.11 20.88 97.82 21.56 83.71 -1.96 91.23 1.78 7.00 14.71 14.38 62.42 1.50 5.26 0.00 1.13 0.58 6 I C C 32.56 18.90 9.05 26.99 115.59 112.42 -91.84 128.51 94.39 4.38 1.23 76.29 16.74 0.87 0.78 0.43 0.00 1.55 3.33 7 T C C 70.56 3.43 20.48 23.49 121.83 -139.60 -86.73 159.67 96.58 2.17 1.25 94.22 2.04 0.34 1.12 0.14 0.00 0.66 1.48 8 K H H 111.78 9.96 13.91 24.64 92.90 -106.25 -58.82 -39.61 3.26 0.02 96.72 1.00 0.61 1.41 96.62 0.34 0.00 0.01 0.01 9 P H H 78.70 2.33 19.11 20.81 91.54 52.13 -63.25 -38.91 1.84 0.01 98.15 0.41 0.18 1.08 97.88 0.45 0.00 0.01 0.00 10 A H H 29.74 7.96 17.06 26.94 91.82 50.83 -64.78 -40.60 0.71 0.01 99.29 0.21 0.07 0.34 98.96 0.41 0.00 0.01 0.00 11 I H H 17.00 18.79 14.15 33.10 92.02 50.15 -64.42 -42.18 0.50 0.01 99.49 0.16 0.06 0.23 99.36 0.18 0.00 0.01 0.00 12 R H H 116.27 6.22 19.69 26.64 91.63 50.69 -63.43 -41.04 0.84 0.02 99.13 0.27 0.09 0.39 99.13 0.10 0.00 0.01 0.00 13 R H H 126.57 2.30 20.99 22.27 91.91 49.73 -64.48 -41.97 1.10 0.04 98.87 0.29 0.14 0.57 98.85 0.12 0.00 0.02 0.01 14 L H H 37.94 10.61 16.18 28.40 92.09 49.91 -64.84 -41.61 1.57 0.07 98.36 0.45 0.22 0.83 98.15 0.28 0.01 0.04 0.02 15 A H H 24.80 12.98 12.99 27.00 92.18 51.64 -63.90 -40.08 2.98 0.07 96.94 0.73 0.27 1.86 96.38 0.69 0.01 0.04 0.01 16 R H H 168.33 1.61 16.56 18.13 92.39 49.65 -66.66 -36.87 8.33 0.09 91.58 0.87 0.66 6.67 90.60 1.09 0.03 0.05 0.03 17 R H H 163.62 1.77 14.45 16.41 94.89 50.44 -74.78 -25.09 27.71 0.13 72.16 1.20 2.08 24.56 70.37 1.58 0.08 0.05 0.08 18 G C T 43.75 5.77 12.14 19.17 99.47 36.25 -91.63 -4.66 64.19 0.14 35.66 2.22 6.13 54.22 35.59 1.65 0.02 0.05 0.11 19 G C T 54.41 2.16 15.15 17.64 98.64 -114.72 79.07 13.63 98.40 0.45 1.15 37.97 14.72 45.90 0.37 0.62 0.00 0.27 0.15 20 V C C 49.75 13.56 7.69 21.09 113.74 149.21 -85.39 131.23 92.18 6.65 1.17 88.02 3.38 1.03 0.40 0.65 0.00 4.81 1.71 21 K C C 164.62 1.15 16.35 17.00 100.00 -173.03 -91.44 -24.99 90.71 8.39 0.91 56.28 31.22 3.51 0.18 0.80 0.00 7.25 0.77 22 R C C 155.24 2.43 16.82 19.91 127.18 19.18 -133.39 139.71 57.84 40.80 1.37 45.23 9.99 2.78 0.39 1.05 0.00 38.30 2.25 23 I E E 56.33 16.95 8.64 24.34 120.72 -167.28 -117.31 128.97 42.15 56.95 0.90 38.26 2.00 0.40 0.68 0.39 0.00 47.09 11.19 24 S C C 63.02 3.06 16.09 19.67 124.61 -167.61 -103.70 164.47 78.18 20.67 1.15 74.22 2.66 0.73 0.76 0.35 0.00 19.99 1.30 25 G H H 50.94 2.62 15.21 18.30 102.54 -28.79 17.50 -56.50 35.30 0.61 64.08 4.57 9.62 22.19 57.01 5.78 0.24 0.29 0.29 26 L H H 106.88 2.56 14.80 17.69 93.89 28.46 -68.98 -34.11 21.52 0.29 78.19 3.29 3.39 15.33 71.31 6.27 0.13 0.15 0.14 27 I H H 60.23 8.34 13.82 23.67 92.86 54.38 -64.99 -41.05 11.35 0.31 88.34 3.90 1.84 6.33 81.63 5.96 0.05 0.19 0.10 28 Y H H 76.15 11.13 13.91 25.92 92.15 52.51 -63.29 -41.99 3.43 0.07 96.50 1.51 0.52 1.55 94.77 1.58 0.01 0.04 0.02 29 E H H 117.85 2.39 18.62 20.87 92.16 49.97 -64.77 -40.90 2.06 0.02 97.92 0.57 0.24 1.18 96.94 1.04 0.00 0.01 0.01 30 E H H 106.19 3.13 19.02 22.10 92.43 48.02 -65.96 -41.14 3.24 0.01 96.74 0.45 0.28 2.34 95.89 1.02 0.01 0.01 0.01 31 T H H 30.52 13.23 15.87 29.85 92.88 48.21 -66.99 -40.65 5.67 0.02 94.32 0.70 0.48 4.19 93.92 0.70 0.00 0.00 0.01 32 R H H 95.54 10.37 17.86 28.57 91.74 53.04 -63.04 -41.26 2.65 0.01 97.35 0.42 0.21 1.77 97.29 0.31 0.00 0.00 0.00 33 G H H 34.75 2.91 20.21 22.84 91.80 50.84 -63.58 -41.47 2.83 0.00 97.16 0.32 0.18 2.13 96.99 0.39 0.00 0.00 0.00 34 V H H 64.88 5.46 19.73 25.92 91.85 49.83 -64.68 -41.92 0.64 0.00 99.36 0.11 0.04 0.39 99.29 0.17 0.00 0.00 0.00 35 L H H 38.83 13.60 16.52 30.79 91.93 50.59 -64.24 -41.84 0.15 0.00 99.85 0.03 0.01 0.08 99.83 0.06 0.00 0.00 0.00 36 K H H 102.30 6.35 19.24 26.30 91.81 51.74 -63.75 -41.24 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 37 V H H 79.90 2.58 20.41 22.20 91.72 49.88 -64.20 -42.55 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 38 F H H 82.66 7.77 18.98 27.58 92.02 48.82 -64.78 -42.29 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 39 L H H 43.11 13.13 16.75 30.48 92.00 50.33 -64.81 -41.31 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 40 E H H 97.13 4.46 19.98 24.86 91.87 51.10 -64.05 -41.20 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 41 N H H 78.89 3.51 20.68 24.04 92.02 49.50 -65.70 -40.62 0.31 0.00 99.69 0.02 0.01 0.22 99.73 0.02 0.00 0.00 0.00 42 V H H 37.84 11.79 18.04 30.70 92.21 49.45 -64.70 -42.71 0.42 0.00 99.58 0.04 0.02 0.26 99.64 0.04 0.00 0.00 0.00 43 I H H 58.64 10.83 18.56 29.99 91.71 50.28 -63.90 -42.22 0.32 0.00 99.68 0.06 0.02 0.18 99.66 0.08 0.00 0.00 0.00 44 R H H 136.59 2.38 22.42 23.90 91.64 49.93 -63.96 -41.69 0.38 0.00 99.62 0.05 0.02 0.25 99.58 0.09 0.00 0.00 0.00 45 D H H 64.93 5.43 20.88 26.76 92.01 48.69 -65.45 -40.86 0.82 0.00 99.18 0.10 0.05 0.57 99.14 0.14 0.00 0.00 0.00 46 A H H 17.42 14.52 16.26 31.79 92.00 51.00 -64.04 -41.65 1.30 0.01 98.69 0.20 0.10 0.85 98.61 0.23 0.00 0.00 0.00 47 V H H 63.28 6.53 19.59 26.99 91.91 50.09 -64.43 -41.29 2.37 0.04 97.59 0.46 0.27 1.46 97.43 0.34 0.01 0.02 0.01 48 T H H 73.08 2.19 21.26 22.05 91.87 49.71 -64.53 -42.01 4.32 0.10 95.58 1.07 0.56 2.55 95.15 0.57 0.01 0.05 0.02 49 Y H H 78.58 7.86 17.16 26.31 92.60 48.50 -66.17 -40.83 5.62 0.19 94.19 1.56 0.86 3.31 92.81 1.26 0.03 0.11 0.05 50 T H H 29.01 11.93 12.86 26.16 92.32 51.79 -66.56 -38.87 8.27 0.19 91.53 2.72 1.13 4.43 89.62 1.92 0.02 0.11 0.05 51 E H H 127.42 2.07 16.54 18.63 92.58 52.52 -65.77 -38.19 14.21 0.13 85.67 2.33 1.49 10.01 83.99 2.03 0.03 0.07 0.05 52 H H H 139.35 1.54 14.59 15.83 94.10 48.18 -73.97 -24.21 25.00 0.18 74.82 3.17 3.21 18.52 73.16 1.73 0.05 0.07 0.10 53 A C H 46.25 9.26 8.83 18.99 101.10 63.13 -84.08 -3.72 66.14 0.56 33.30 16.40 15.25 32.80 33.05 1.94 0.02 0.18 0.37 54 K C T 178.64 0.61 14.41 13.63 96.13 -129.81 26.53 17.77 92.64 0.32 7.04 24.39 16.08 52.23 5.23 1.74 0.00 0.13 0.20 55 R C C 118.14 5.56 10.02 17.54 124.20 106.48 -110.75 146.62 93.67 0.92 5.41 60.05 22.28 11.40 3.03 2.24 0.00 0.38 0.62 56 K C S 161.00 2.21 13.74 17.00 97.16 -147.37 -83.30 -15.29 96.48 1.36 2.16 32.83 57.95 6.03 1.02 0.97 0.00 0.84 0.37 57 T C C 85.92 3.27 17.40 21.50 128.28 42.48 -130.95 144.73 74.47 22.94 2.59 46.89 24.64 3.94 1.40 1.42 0.00 17.73 3.98 58 V C C 32.16 18.38 10.20 28.05 118.58 -151.56 -109.11 129.87 68.26 30.70 1.04 63.02 5.06 0.31 0.99 0.26 0.00 22.87 7.48 59 T C C 62.45 4.28 21.61 25.65 124.58 -148.03 -92.03 163.07 82.63 16.60 0.77 82.81 1.23 0.15 0.75 0.09 0.00 12.98 1.99 60 A H H 52.64 11.72 14.09 26.44 91.15 -104.81 -58.43 -39.21 1.97 0.01 98.02 0.33 0.26 1.18 97.84 0.39 0.00 0.00 0.00 61 M H H 111.85 2.95 20.23 22.96 91.55 54.39 -64.24 -39.82 0.62 0.00 99.38 0.08 0.04 0.41 99.20 0.27 0.00 0.00 0.00 62 D H H 43.31 10.36 18.48 29.83 91.92 50.35 -65.47 -40.48 0.20 0.00 99.80 0.03 0.01 0.12 99.60 0.24 0.00 0.00 0.00 63 V H H 15.61 19.20 16.41 35.63 91.82 49.79 -64.35 -43.03 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 64 V H H 55.43 7.70 20.35 28.94 91.39 49.91 -63.60 -42.66 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 65 Y H H 106.65 3.20 22.30 24.94 91.65 48.98 -63.95 -42.07 0.22 0.00 99.78 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 66 A H H 14.24 11.96 16.51 30.49 91.34 50.87 -63.21 -42.74 0.53 0.00 99.47 0.06 0.03 0.36 99.39 0.17 0.00 0.00 0.00 67 L H H 32.23 13.28 14.80 29.19 92.03 50.02 -64.42 -41.19 1.68 0.01 98.31 0.26 0.13 1.11 97.96 0.52 0.00 0.00 0.00 68 K H H 133.59 2.57 16.67 19.86 91.84 50.37 -64.74 -39.53 4.47 0.02 95.51 0.60 0.31 3.18 94.68 1.20 0.00 0.01 0.01 69 R H H 154.85 2.45 14.80 17.96 92.50 51.14 -68.01 -32.07 13.19 0.05 86.76 1.01 0.88 10.90 85.87 1.27 0.02 0.02 0.02 70 Q C T 96.62 6.44 11.84 19.64 96.03 49.62 -87.40 -4.75 56.72 0.16 43.12 2.50 3.93 48.11 43.69 1.59 0.02 0.05 0.11 71 G C T 59.72 1.64 13.98 15.97 97.54 -112.63 77.83 12.36 96.49 0.20 3.31 16.56 8.54 71.70 2.28 0.75 0.00 0.10 0.08 72 R C C 125.28 5.77 10.96 18.62 120.46 129.16 -102.85 141.90 95.21 1.96 2.83 83.61 9.16 2.45 1.60 1.10 0.00 0.95 1.13 73 T C C 86.39 4.82 12.78 19.23 116.32 -134.83 -95.55 137.22 92.89 3.92 3.19 87.44 3.59 2.12 1.40 1.39 0.00 2.13 1.94 74 L C C 92.33 8.99 10.68 20.55 105.43 -145.69 -86.04 26.28 85.14 5.14 9.71 43.44 22.89 19.45 2.34 6.94 0.01 2.53 2.39 75 Y C T 151.11 4.46 11.57 17.43 111.29 41.27 -97.05 118.17 85.99 5.02 8.99 20.83 26.98 38.85 1.96 6.58 0.02 2.78 2.00 76 G C C 54.18 3.18 11.02 15.62 109.42 -16.59 86.33 39.24 90.70 3.27 6.03 42.63 20.44 27.74 0.98 5.13 0.00 1.79 1.29 77 F C C 142.68 4.45 9.14 15.23 108.81 102.68 -94.62 84.97 95.14 2.60 2.26 85.18 3.35 6.93 0.69 1.09 0.00 1.37 1.39 78 G C C 52.32 3.28 13.15 17.83 109.29 -93.30 87.04 2.07 99.90 0.09 0.02 99.64 0.19 0.10 0.01 0.00 0.00 0.05 0.01