# 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 G C C 40.73 5.71 13.16 20.02 113.86 -132.12 -39.59 166.11 99.90 0.03 0.07 99.76 0.09 0.09 0.04 0.00 0.00 0.01 0.01 1 S C C 73.74 3.25 10.80 15.32 107.74 -72.69 -83.51 114.45 66.44 0.54 33.02 57.75 1.31 7.15 31.04 2.24 0.00 0.24 0.27 2 H H H 129.74 3.11 9.97 14.45 99.66 55.33 -73.56 -24.48 41.82 0.70 57.48 23.51 7.79 11.94 51.32 4.77 0.02 0.32 0.32 3 M H H 105.54 4.89 9.99 16.45 99.76 62.75 -74.32 -27.23 29.06 0.68 70.26 17.75 5.42 7.59 62.59 6.02 0.02 0.36 0.26 4 K H H 127.95 2.78 12.23 16.11 97.86 63.66 -70.76 -35.09 23.50 0.73 75.77 16.55 3.62 5.08 68.53 5.56 0.01 0.41 0.23 5 R H H 140.27 2.94 12.74 16.74 95.78 59.18 -69.62 -36.11 19.05 0.56 80.39 12.80 3.10 4.68 74.99 3.94 0.01 0.31 0.18 6 H H H 95.10 6.98 12.23 20.48 94.95 54.39 -70.36 -37.38 16.30 0.39 83.31 10.79 2.50 4.03 79.53 2.81 0.00 0.21 0.13 7 R H H 119.69 6.64 13.87 21.67 95.29 55.76 -67.34 -37.90 11.84 0.33 87.83 7.45 1.75 3.27 84.80 2.44 0.00 0.19 0.09 8 K H H 115.52 3.67 16.34 20.48 94.92 53.04 -68.04 -39.63 10.90 0.55 88.54 6.53 1.63 3.46 85.05 2.82 0.01 0.37 0.13 9 V H H 64.85 6.66 15.37 23.26 95.52 51.66 -69.17 -41.14 10.96 0.79 88.24 6.43 1.68 3.62 84.52 2.99 0.02 0.58 0.16 10 L H H 56.00 11.92 13.77 26.24 95.47 51.83 -69.39 -38.97 13.44 0.86 85.70 7.68 2.16 4.69 80.84 3.78 0.02 0.62 0.22 11 R H H 122.71 7.55 16.03 24.35 95.34 55.81 -68.98 -33.30 18.76 0.67 80.57 8.35 3.02 8.49 74.49 4.96 0.04 0.42 0.23 12 D H H 93.26 3.83 16.89 21.47 96.99 54.59 -74.84 -27.08 29.48 0.44 70.09 8.08 4.64 17.44 62.87 6.44 0.08 0.23 0.22 13 N H H 81.84 7.98 16.39 25.00 99.99 47.73 -89.37 0.68 45.60 0.61 53.79 13.72 6.87 25.99 44.91 7.78 0.07 0.30 0.36 14 I C C 38.55 18.64 11.12 28.53 99.36 81.41 -87.18 0.72 60.14 2.34 37.53 30.83 8.72 21.79 26.08 10.02 0.05 1.10 1.40 15 Q C T 123.75 4.16 16.21 22.15 105.59 115.57 -71.67 105.93 82.05 1.28 16.67 12.80 7.46 61.31 11.66 5.31 0.02 0.68 0.76 16 G C T 53.47 3.21 18.50 22.03 97.98 24.05 81.08 -1.27 92.34 0.61 7.05 12.40 11.38 68.98 2.94 3.64 0.00 0.36 0.29 17 I C C 29.24 20.33 9.35 28.45 115.45 112.12 -89.50 129.66 95.87 3.06 1.07 79.98 14.65 0.84 0.74 0.33 0.00 0.99 2.48 18 T C C 70.67 3.44 21.62 24.47 123.34 -144.57 -89.45 160.62 97.37 1.68 0.94 95.68 1.51 0.27 0.81 0.10 0.00 0.47 1.15 19 K H H 106.64 11.22 14.21 25.85 92.46 -104.30 -58.56 -40.19 2.56 0.01 97.43 0.63 0.46 1.21 97.39 0.30 0.00 0.00 0.00 20 P H H 78.58 2.34 19.79 21.39 91.45 52.11 -63.31 -39.68 1.43 0.01 98.57 0.26 0.13 0.87 98.36 0.38 0.00 0.00 0.00 21 A H H 28.57 8.18 17.57 27.64 91.89 50.68 -64.64 -40.86 0.55 0.01 99.44 0.13 0.05 0.28 99.18 0.35 0.00 0.00 0.00 22 I H H 13.78 20.00 14.44 34.51 91.98 50.16 -64.18 -42.46 0.40 0.01 99.60 0.11 0.05 0.18 99.52 0.14 0.00 0.00 0.00 23 R H H 111.36 7.54 19.89 28.04 91.57 50.82 -63.25 -41.32 0.70 0.02 99.28 0.19 0.08 0.34 99.30 0.08 0.00 0.01 0.00 24 R H H 127.14 2.29 21.84 22.95 91.79 49.79 -64.48 -42.03 0.93 0.02 99.05 0.23 0.11 0.49 99.05 0.10 0.00 0.01 0.00 25 L H H 36.47 11.06 17.31 29.82 92.17 49.63 -64.91 -41.93 1.26 0.05 98.69 0.30 0.17 0.70 98.56 0.23 0.00 0.02 0.01 26 A H H 17.84 14.68 13.27 28.87 92.08 51.31 -63.67 -41.01 2.97 0.06 96.97 0.68 0.28 1.85 96.53 0.60 0.01 0.04 0.01 27 R H H 160.35 2.15 17.01 19.60 92.26 50.10 -65.68 -38.40 7.19 0.09 92.71 0.99 0.60 5.35 91.76 1.18 0.03 0.05 0.03 28 R H H 163.48 1.90 15.21 17.40 93.17 52.55 -69.21 -28.80 17.94 0.14 81.92 1.21 1.51 15.42 80.13 1.51 0.08 0.05 0.08 29 G C T 39.18 7.49 11.97 20.70 96.40 49.02 -86.74 -2.84 71.38 0.12 28.51 1.46 3.67 64.81 28.26 1.65 0.02 0.04 0.09 30 G C T 57.82 1.51 16.57 17.49 97.60 -107.90 81.80 10.11 98.93 0.14 0.93 11.56 6.93 80.62 0.41 0.36 0.00 0.08 0.05 31 V C C 44.53 14.33 7.65 21.77 113.86 145.57 -85.02 126.81 95.14 3.73 1.13 91.86 2.61 0.91 0.41 0.53 0.00 2.50 1.18 32 K C C 162.69 1.30 16.88 17.73 100.48 -170.75 -90.70 -20.26 94.05 4.78 1.17 65.83 24.52 3.88 0.26 0.99 0.00 3.79 0.74 33 R C C 153.18 3.03 16.99 20.92 123.69 25.07 -126.17 137.95 74.49 23.80 1.72 59.23 11.29 3.55 0.48 1.38 0.00 21.35 2.71 34 I C C 47.24 18.01 9.12 25.86 118.90 -169.02 -115.04 127.77 57.75 40.98 1.28 53.09 2.89 0.55 0.95 0.52 0.00 29.20 12.80 35 S C C 61.80 3.30 16.88 20.66 124.06 -161.78 -100.86 164.91 86.66 11.85 1.49 83.00 2.78 0.88 1.06 0.40 0.00 10.63 1.25 36 G H H 49.50 2.93 15.66 19.17 100.24 -22.47 19.18 -58.59 30.69 0.41 68.90 4.33 8.66 18.93 63.17 4.34 0.17 0.17 0.23 37 L H H 104.81 2.74 15.50 18.55 93.81 32.76 -67.76 -34.88 17.96 0.20 81.84 2.55 2.79 13.02 77.04 4.30 0.10 0.09 0.10 38 I H H 54.25 9.56 14.45 25.37 92.63 52.54 -64.99 -41.12 9.02 0.22 90.76 2.95 1.46 5.20 86.12 4.02 0.04 0.13 0.08 39 Y H H 66.90 12.90 14.34 27.80 91.89 52.47 -63.34 -42.06 2.61 0.06 97.33 1.08 0.39 1.22 96.04 1.22 0.01 0.03 0.01 40 E H H 117.40 2.60 19.49 22.01 91.95 49.85 -64.68 -40.89 1.90 0.02 98.08 0.48 0.20 1.11 97.25 0.93 0.00 0.01 0.00 41 E H H 103.42 3.69 19.78 23.53 92.61 47.97 -66.14 -41.11 3.45 0.01 96.53 0.40 0.27 2.57 95.84 0.91 0.01 0.01 0.00 42 T H H 23.76 15.72 16.23 32.26 93.05 47.22 -67.52 -40.59 6.96 0.02 93.02 0.77 0.56 5.25 92.71 0.68 0.00 0.01 0.01 43 R H H 91.00 12.03 18.41 30.36 91.85 53.22 -62.93 -41.42 3.23 0.01 96.75 0.61 0.28 2.03 96.72 0.36 0.00 0.00 0.00 44 G H H 34.59 3.09 21.24 24.00 91.68 50.96 -63.65 -41.49 2.99 0.00 97.01 0.37 0.20 2.17 96.82 0.43 0.00 0.00 0.00 45 V H H 58.71 6.91 20.50 28.23 91.85 49.61 -64.65 -41.89 0.58 0.00 99.42 0.10 0.04 0.34 99.33 0.18 0.00 0.00 0.00 46 L H H 27.51 16.85 17.00 34.03 91.83 50.54 -64.16 -42.00 0.13 0.00 99.87 0.02 0.00 0.06 99.85 0.05 0.00 0.00 0.00 47 K H H 99.07 7.67 20.18 28.33 91.76 51.78 -63.50 -41.25 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 48 V H H 78.15 2.88 21.79 23.89 91.65 49.85 -64.12 -42.58 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 49 F H H 69.12 10.18 19.79 30.60 91.95 48.74 -64.76 -42.35 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 50 L H H 31.52 16.28 17.50 33.93 91.90 50.05 -64.78 -41.44 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 51 E H H 94.89 5.33 21.24 26.88 91.77 51.00 -63.88 -41.12 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 52 N H H 75.90 4.09 21.96 25.95 92.02 49.32 -65.92 -40.73 0.34 0.00 99.66 0.02 0.01 0.24 99.71 0.02 0.00 0.00 0.00 53 V H H 27.82 14.30 18.75 33.65 92.23 49.36 -64.76 -42.92 0.49 0.00 99.50 0.05 0.02 0.32 99.57 0.04 0.00 0.00 0.00 54 I H H 48.90 13.04 19.37 32.68 91.82 50.31 -63.80 -42.50 0.38 0.00 99.62 0.07 0.03 0.20 99.61 0.09 0.00 0.00 0.00 55 R H H 134.82 2.63 23.60 25.50 91.61 49.86 -63.70 -41.71 0.44 0.00 99.56 0.07 0.03 0.27 99.53 0.11 0.00 0.00 0.00 56 D H H 61.58 6.38 21.88 28.71 91.89 48.64 -65.30 -40.97 0.87 0.00 99.13 0.12 0.06 0.59 99.09 0.15 0.00 0.00 0.00 57 A H H 12.66 16.82 16.77 34.29 91.97 51.04 -63.94 -42.03 1.35 0.01 98.64 0.21 0.11 0.87 98.55 0.24 0.00 0.00 0.00 58 V H H 59.03 7.61 20.43 28.81 91.79 50.05 -64.23 -41.75 2.56 0.05 97.40 0.50 0.29 1.59 97.21 0.37 0.01 0.02 0.01 59 T H H 71.97 2.37 22.32 23.30 91.80 49.71 -64.57 -42.34 4.74 0.12 95.14 1.17 0.62 2.83 94.66 0.61 0.02 0.06 0.03 60 Y H H 68.29 9.47 17.57 28.26 92.34 48.92 -65.93 -40.80 6.17 0.23 93.61 1.79 0.96 3.59 92.06 1.37 0.03 0.13 0.06 61 T H H 26.98 13.26 13.31 27.61 92.18 51.89 -66.04 -38.55 8.79 0.22 91.00 3.01 1.21 4.60 88.91 2.07 0.02 0.13 0.06 62 E H H 127.34 2.18 17.42 19.60 92.46 52.83 -65.92 -38.32 14.93 0.14 84.93 2.47 1.61 10.52 83.03 2.19 0.03 0.08 0.05 63 H H H 135.18 1.87 15.29 17.05 93.96 47.54 -75.05 -24.78 25.78 0.20 74.02 3.42 3.38 18.94 72.12 1.88 0.06 0.08 0.11 64 A C H 42.00 10.92 8.91 20.31 100.82 63.65 -82.67 -1.22 65.16 0.67 34.16 19.18 14.51 30.34 33.18 2.11 0.02 0.22 0.43 65 K C T 177.41 0.67 15.12 14.42 96.08 -130.77 27.16 16.54 90.92 0.42 8.65 26.44 15.83 48.73 6.50 2.06 0.00 0.18 0.26 66 R C C 113.69 6.31 10.31 18.45 124.56 104.98 -109.75 148.10 92.16 1.06 6.78 54.84 23.74 13.68 3.86 2.73 0.00 0.44 0.70 67 K C S 159.91 2.32 14.30 17.68 96.93 -145.43 -81.93 -16.86 95.89 1.35 2.77 27.82 60.27 8.15 1.28 1.26 0.00 0.84 0.39 68 T C C 83.92 3.61 18.04 22.47 128.06 41.28 -131.14 144.02 71.71 24.99 3.30 42.56 24.85 5.49 1.71 1.83 0.01 19.59 3.96 69 V C C 27.92 19.44 10.56 29.38 118.61 -154.63 -109.30 128.85 66.43 32.41 1.16 60.32 5.66 0.34 1.12 0.29 0.00 24.52 7.75 70 T C C 61.14 4.66 22.52 26.90 124.77 -149.10 -93.05 163.28 80.09 19.09 0.82 80.34 1.24 0.16 0.81 0.10 0.00 14.98 2.36 71 A H H 48.11 13.29 14.57 28.18 91.06 -104.60 -58.34 -39.22 1.94 0.01 98.05 0.33 0.27 1.17 97.85 0.38 0.00 0.00 0.00 72 M H H 106.97 3.64 21.08 24.68 91.51 54.35 -63.94 -40.09 0.61 0.00 99.39 0.07 0.04 0.41 99.20 0.27 0.00 0.00 0.00 73 D H H 41.03 11.05 19.36 31.24 91.85 50.31 -65.20 -40.38 0.20 0.00 99.80 0.03 0.01 0.12 99.58 0.25 0.00 0.00 0.00 74 V H H 11.46 20.80 17.11 37.89 91.79 49.80 -64.20 -43.42 0.09 0.00 99.91 0.01 0.00 0.05 99.85 0.08 0.00 0.00 0.00 75 V H H 50.85 9.02 21.14 30.92 91.34 49.91 -63.40 -42.97 0.12 0.00 99.88 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 76 Y H H 102.36 3.63 23.19 26.45 91.49 48.97 -63.99 -42.24 0.24 0.00 99.76 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 77 A H H 12.03 13.11 17.08 32.06 91.39 50.91 -62.91 -42.82 0.58 0.00 99.42 0.06 0.03 0.40 99.32 0.19 0.00 0.00 0.00 78 L H H 27.94 14.66 15.41 30.90 91.99 49.89 -64.10 -41.28 1.73 0.01 98.26 0.25 0.14 1.17 97.88 0.55 0.00 0.00 0.00 79 K H H 131.43 3.07 17.35 21.23 91.97 50.36 -65.10 -39.39 4.30 0.02 95.68 0.55 0.31 3.12 94.82 1.18 0.00 0.01 0.01 80 R H H 150.79 2.93 15.59 19.34 92.75 50.65 -68.46 -32.07 12.66 0.06 87.29 0.96 0.90 10.51 86.26 1.29 0.02 0.02 0.03 81 Q C H 92.71 7.43 12.67 21.26 96.23 48.50 -87.35 -6.12 54.23 0.21 45.56 2.64 4.18 45.43 45.90 1.61 0.04 0.07 0.14 82 G C T 56.81 2.41 14.80 17.85 98.25 -112.90 78.08 12.44 95.66 0.30 4.04 18.79 9.55 67.64 2.78 0.96 0.00 0.15 0.12 83 R C C 115.96 7.36 11.94 20.90 121.00 129.23 -102.74 141.93 93.59 2.57 3.84 80.28 10.21 3.03 2.31 1.45 0.00 1.27 1.46 84 T C C 79.46 5.87 14.01 21.38 117.83 -138.12 -96.95 139.45 91.08 5.01 3.91 84.16 4.39 2.51 2.00 1.62 0.00 2.76 2.56 85 L C C 85.14 10.67 11.42 22.57 103.87 -138.66 -81.79 7.21 83.81 6.26 9.93 38.62 24.52 21.61 2.90 6.36 0.03 3.03 2.94 86 Y C T 146.94 5.27 12.61 19.14 109.33 39.90 -91.16 96.23 85.54 4.92 9.54 19.16 26.41 40.50 2.54 6.47 0.03 2.65 2.24 87 G C C 55.09 3.01 12.28 16.58 103.72 -14.90 80.47 5.75 90.11 3.30 6.59 36.69 24.21 29.47 1.23 5.30 0.00 1.70 1.40 88 F C C 131.63 5.41 8.95 15.92 107.23 103.10 -92.29 49.46 90.79 5.14 4.07 60.74 14.61 15.30 1.16 2.75 0.00 2.54 2.90 89 G C C 55.68 2.62 11.34 15.48 109.31 -45.01 89.63 13.05 96.52 2.19 1.29 80.80 4.51 11.36 0.31 0.80 0.00 1.39 0.83 90 G C C 51.10 3.89 12.86 18.39 111.85 -53.61 90.50 -3.43 99.86 0.12 0.02 99.37 0.40 0.13 0.01 0.00 0.00 0.07 0.02