# 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 M C C 122.81 4.49 11.07 17.37 115.55 -159.96 -96.91 133.35 99.76 0.22 0.02 99.69 0.12 0.05 0.01 0.00 0.00 0.10 0.03 1 A C C 81.68 3.40 8.83 14.08 112.64 -139.72 -88.25 134.54 92.25 3.36 4.39 82.24 1.55 9.25 1.65 1.89 0.00 2.04 1.38 2 G C C 56.19 2.53 8.77 12.82 111.60 -84.41 -92.13 153.73 88.77 4.26 6.97 51.21 15.77 22.00 1.83 5.05 0.00 2.36 1.77 3 G C C 56.17 2.46 8.63 12.70 110.25 -129.52 -87.03 135.39 84.02 4.83 11.15 41.61 20.75 22.21 2.58 8.42 0.01 2.55 1.89 4 N C C 123.41 1.93 9.13 12.44 107.47 48.62 -90.18 79.81 83.48 5.59 10.93 46.31 18.58 19.05 3.02 7.76 0.01 3.15 2.13 5 Y C C 152.84 4.24 7.58 13.48 106.65 110.76 -92.88 64.22 78.85 9.59 11.56 55.53 14.71 8.05 5.64 6.10 0.01 5.23 4.73 6 A C C 81.03 2.84 9.06 13.58 105.87 87.95 -81.73 33.47 82.27 6.17 11.55 59.62 16.20 6.51 6.43 5.10 0.01 3.81 2.33 7 S C C 87.37 1.94 9.99 13.22 107.89 60.71 -90.35 93.06 84.64 4.11 11.25 69.21 10.32 5.28 6.68 4.45 0.00 2.62 1.43 8 L C C 109.38 5.01 7.94 14.72 110.86 -124.07 -84.55 124.58 83.32 4.10 12.58 69.76 8.56 4.91 8.86 3.81 0.00 2.29 1.81 9 K C C 148.28 2.19 10.44 14.13 113.14 -154.43 -92.28 130.21 84.22 3.06 12.73 71.39 8.35 4.12 10.38 2.75 0.00 1.57 1.44 10 A C C 75.55 4.49 8.79 14.99 109.60 -125.79 -83.31 128.30 73.34 2.38 24.27 55.50 8.61 8.37 20.55 4.68 0.00 1.33 0.97 11 D C C 100.16 3.60 9.88 15.08 107.93 -136.29 -88.67 103.66 70.38 1.81 27.81 52.27 8.18 9.16 23.50 5.14 0.00 0.94 0.80 12 T C H 91.84 3.85 9.67 15.16 102.58 118.10 -87.44 1.21 52.18 1.98 45.83 32.78 9.69 10.58 36.69 8.35 0.02 1.06 0.81 13 S H H 76.88 2.86 10.63 14.85 101.38 78.36 -81.06 -3.69 46.86 2.35 50.80 28.66 8.38 10.86 40.79 9.06 0.04 1.36 0.85 14 M H H 114.46 4.61 9.54 15.63 99.03 70.89 -83.34 -6.20 36.71 2.55 60.74 21.61 7.96 9.03 48.41 10.58 0.06 1.52 0.84 15 D H H 98.02 3.76 11.17 16.51 100.26 83.01 -78.03 -13.36 36.40 3.09 60.51 22.60 6.82 8.76 49.30 9.57 0.05 2.06 0.84 16 H H H 128.54 3.42 10.90 15.86 103.41 65.41 -90.07 13.36 37.26 4.92 57.82 21.38 6.97 10.66 46.18 9.99 0.12 3.48 1.22 17 V H H 94.31 4.70 10.38 16.69 110.15 59.67 -91.86 112.69 39.94 8.20 51.86 22.50 7.75 11.97 42.17 7.56 0.19 5.96 1.90 18 F C H 132.51 4.63 10.37 16.61 111.05 -156.67 -91.31 112.10 57.46 7.81 34.73 27.31 10.59 20.14 29.05 5.40 0.19 4.96 2.36 19 G C C 48.39 4.13 11.54 17.09 110.27 18.77 -51.72 116.37 81.81 4.71 13.47 36.54 18.63 27.43 9.62 3.56 0.02 2.75 1.45 20 D C C 97.02 3.63 10.91 16.05 110.62 67.64 -90.36 111.06 81.64 4.03 14.33 50.14 18.81 12.62 9.93 4.60 0.01 2.07 1.83 21 S C C 76.91 4.16 9.93 15.77 101.86 -140.76 -83.47 6.94 65.17 2.52 32.31 32.22 15.49 18.29 19.54 11.98 0.04 1.23 1.21 22 T C H 94.99 2.84 10.81 14.96 100.17 86.95 -80.66 -10.01 57.18 2.50 40.31 22.59 13.84 21.83 24.81 14.39 0.10 1.30 1.13 23 N C C 99.70 4.03 10.18 15.82 103.20 67.12 -85.96 24.31 55.63 3.99 40.38 26.84 13.54 16.37 25.75 13.67 0.10 2.19 1.53 24 K C C 132.25 3.57 10.55 15.80 103.12 110.52 -82.04 5.25 55.09 6.91 38.00 34.60 11.04 10.18 27.57 9.96 0.07 4.30 2.27 25 L C C 99.47 4.96 9.52 16.18 109.75 67.64 -87.51 113.64 56.08 6.88 37.04 34.40 12.69 9.82 27.47 9.02 0.08 4.49 2.03 26 N C C 109.67 2.84 11.45 15.62 105.57 -134.80 -83.72 79.68 64.32 4.55 31.12 44.88 7.97 11.29 22.84 8.50 0.01 3.18 1.33 27 Y C C 141.21 4.83 8.95 15.47 105.55 88.75 -87.98 41.25 62.89 4.45 32.66 34.35 11.87 17.42 21.51 10.49 0.05 2.64 1.68 28 D C C 107.00 2.52 10.32 14.24 104.16 69.48 -88.53 33.61 69.13 3.88 27.00 39.46 12.18 17.87 18.76 7.97 0.02 2.38 1.35 29 F C C 138.71 3.82 8.39 14.05 106.89 141.79 -91.39 68.91 68.39 6.33 25.28 41.25 15.48 12.16 17.22 7.82 0.05 3.75 2.27 30 Q C C 131.11 2.00 10.19 13.60 115.15 135.90 -95.41 131.37 74.38 7.02 18.61 50.51 15.69 8.17 13.64 5.22 0.02 4.57 2.17 31 L C C 122.28 2.76 9.69 14.33 113.07 -109.39 -79.84 139.44 79.77 4.44 15.80 61.57 11.98 5.93 12.20 4.02 0.00 2.77 1.52 32 M C C 101.99 6.15 7.99 15.85 114.66 -119.11 -83.05 142.72 85.27 2.29 12.44 71.88 8.78 4.17 10.63 2.36 0.00 1.23 0.94 33 S C C 73.40 2.37 11.14 14.61 112.24 -107.08 -74.64 153.70 82.22 1.97 15.81 67.79 7.49 6.17 14.06 2.59 0.00 0.96 0.94 34 S C H 84.22 2.40 9.68 13.49 99.47 -105.77 -69.70 -25.59 51.15 1.50 47.36 27.16 13.73 12.02 41.01 4.69 0.04 0.64 0.70 35 K H H 140.70 2.01 11.19 14.01 98.37 56.66 -71.48 -25.47 34.73 0.91 64.36 15.07 8.81 12.60 58.48 4.16 0.06 0.44 0.39 36 E H H 105.83 3.33 12.25 16.70 99.36 61.69 -74.25 -32.86 20.56 1.18 78.26 13.12 3.31 5.71 73.40 3.37 0.01 0.74 0.33 37 A H H 51.59 5.29 11.45 18.53 94.43 62.11 -66.78 -39.13 6.63 0.97 92.40 3.86 1.10 2.25 89.63 2.15 0.01 0.81 0.17 38 F H H 116.18 2.96 13.67 17.53 93.16 52.82 -65.89 -40.14 4.61 1.12 94.27 2.62 0.65 1.64 91.97 1.92 0.01 1.05 0.15 39 F H H 114.68 2.32 14.76 17.34 92.68 51.11 -65.40 -41.57 3.97 0.91 95.12 2.18 0.55 1.47 93.03 1.81 0.01 0.82 0.13 40 W H H 129.33 3.98 14.12 19.27 92.68 50.82 -65.63 -40.73 4.12 0.46 95.41 1.81 0.61 1.99 92.64 2.48 0.03 0.33 0.10 41 N H H 72.40 5.65 13.58 20.75 92.80 51.47 -66.15 -39.66 5.77 0.39 93.84 1.67 0.75 3.49 90.59 3.08 0.07 0.26 0.10 42 Y H H 138.13 2.61 15.22 18.16 93.17 49.60 -67.99 -38.87 7.92 0.34 91.74 1.40 0.90 5.55 87.67 4.02 0.13 0.21 0.11 43 T H H 78.95 2.64 15.05 18.03 94.82 46.47 -71.40 -37.30 19.04 0.43 80.52 1.93 1.74 15.37 77.01 3.45 0.11 0.24 0.16 44 L H H 78.84 5.52 13.27 20.22 95.32 48.61 -76.89 -29.60 35.79 0.67 63.54 4.44 4.06 27.30 59.87 3.52 0.14 0.35 0.32 45 Y H H 114.76 5.30 12.90 19.75 94.35 63.08 -65.71 -38.93 32.80 1.77 65.44 13.47 8.80 12.81 55.38 7.71 0.14 1.11 0.57 46 P H H 82.13 2.93 14.43 17.98 94.41 53.13 -68.15 -35.44 25.59 2.57 71.84 10.14 4.24 11.96 59.96 11.04 0.11 2.06 0.49 47 I H H 101.18 3.16 14.44 18.20 96.93 45.91 -75.37 -37.44 19.05 3.52 77.43 6.58 3.39 9.73 64.14 12.37 0.22 2.94 0.62 48 V H H 80.65 4.86 13.85 19.84 97.97 43.59 -79.23 -35.14 27.83 4.24 67.92 7.80 5.17 16.12 57.79 8.28 0.60 3.20 1.04 49 G H H 34.02 5.35 14.19 20.94 96.49 51.20 -67.55 -35.61 41.49 1.79 56.72 13.05 6.54 23.06 50.97 4.56 0.14 1.12 0.58 50 F H H 110.15 3.58 15.01 19.38 94.78 56.05 -65.58 -41.51 19.84 0.41 79.75 9.34 4.72 6.36 77.61 1.61 0.01 0.19 0.14 51 P H H 67.27 3.90 15.61 20.46 93.00 50.56 -65.63 -39.03 9.97 0.31 89.72 5.03 1.32 3.79 88.25 1.32 0.01 0.19 0.08 52 I H H 80.10 4.38 15.08 20.58 92.57 51.07 -65.07 -41.85 2.63 0.16 97.20 1.23 0.35 1.16 96.12 0.97 0.01 0.12 0.03 53 F H H 106.49 3.48 15.65 19.88 92.27 50.26 -64.97 -41.60 1.56 0.14 98.30 0.75 0.19 0.69 97.47 0.75 0.00 0.12 0.02 54 L H H 87.40 2.88 15.79 19.10 91.94 49.76 -64.76 -41.98 1.48 0.16 98.36 0.64 0.17 0.70 97.68 0.64 0.00 0.14 0.02 55 Y H H 117.39 3.45 15.44 19.50 92.24 49.15 -65.33 -41.06 2.13 0.20 97.66 0.77 0.24 1.16 96.84 0.77 0.01 0.17 0.03 56 L H H 82.54 3.59 15.07 19.48 92.18 49.97 -65.11 -41.07 3.52 0.15 96.33 0.96 0.39 2.19 95.42 0.88 0.01 0.11 0.04 57 Y H H 123.77 2.67 15.55 18.46 93.70 48.75 -68.23 -38.69 8.45 0.21 91.34 2.48 1.09 5.10 90.01 1.11 0.02 0.12 0.08 58 Q H H 91.32 3.27 15.23 19.17 93.16 51.79 -66.38 -39.65 12.27 0.26 87.47 4.70 1.69 6.28 85.56 1.51 0.02 0.13 0.10 59 F H H 110.48 3.50 14.73 19.02 92.76 51.05 -65.29 -40.41 11.70 0.24 88.06 4.43 1.67 6.09 85.50 2.06 0.02 0.13 0.09 60 N H H 89.64 2.16 15.64 17.70 92.74 50.51 -66.29 -40.22 13.24 0.27 86.50 5.09 1.93 6.81 83.62 2.27 0.02 0.15 0.10 61 K H H 114.02 2.44 15.64 18.24 92.43 50.73 -65.94 -39.90 13.47 0.29 86.23 5.19 1.95 6.79 83.56 2.21 0.02 0.17 0.12 62 L H H 79.76 4.26 13.98 19.44 92.49 50.80 -65.47 -40.61 10.30 0.24 89.46 4.68 1.59 4.39 87.19 1.91 0.01 0.13 0.09 63 E H H 106.94 2.00 16.06 17.81 92.18 50.83 -64.25 -41.15 6.61 0.12 93.28 3.30 0.92 2.41 92.22 1.05 0.00 0.06 0.05 64 N H H 90.79 1.78 16.13 17.29 92.33 50.12 -65.18 -40.23 5.79 0.07 94.14 2.70 0.70 2.32 93.43 0.79 0.00 0.03 0.03 65 F H H 97.45 3.85 14.25 19.23 92.39 50.63 -65.29 -41.27 2.63 0.03 97.34 1.13 0.35 1.14 96.89 0.47 0.00 0.01 0.01 66 E H H 107.19 2.83 15.45 18.95 91.88 51.35 -64.00 -41.21 1.06 0.01 98.93 0.44 0.12 0.45 98.77 0.20 0.00 0.00 0.00 67 A H H 63.45 1.61 16.24 17.03 91.99 50.38 -64.48 -40.87 0.84 0.01 99.15 0.30 0.08 0.40 99.07 0.15 0.00 0.00 0.00 68 E H H 113.02 2.02 16.18 18.00 92.10 49.73 -65.31 -40.93 0.68 0.00 99.32 0.20 0.06 0.34 99.28 0.12 0.00 0.00 0.00 69 I H H 83.65 3.46 14.84 19.17 92.13 49.34 -64.72 -41.90 0.53 0.00 99.47 0.14 0.05 0.26 99.45 0.09 0.00 0.00 0.00 70 A H H 58.29 2.01 16.32 18.01 91.69 50.22 -63.32 -41.81 0.53 0.00 99.46 0.14 0.05 0.27 99.46 0.08 0.00 0.00 0.00 71 A H H 59.42 1.82 16.20 17.51 91.77 50.17 -64.08 -41.27 0.68 0.00 99.32 0.16 0.06 0.36 99.32 0.10 0.00 0.00 0.00 72 A H H 52.35 2.83 14.97 18.58 91.79 50.33 -64.17 -41.43 0.82 0.00 99.17 0.23 0.07 0.41 99.17 0.11 0.00 0.00 0.00 73 K H H 118.01 2.04 15.63 17.61 92.00 50.32 -64.03 -41.03 1.02 0.01 98.97 0.31 0.09 0.51 98.94 0.15 0.00 0.00 0.00 74 A H H 60.53 1.63 14.86 16.07 91.66 50.25 -64.02 -41.31 1.48 0.01 98.51 0.45 0.14 0.75 98.43 0.22 0.00 0.01 0.00 75 A H H 60.44 1.80 13.78 15.68 91.89 50.33 -64.47 -40.83 2.78 0.03 97.19 0.84 0.29 1.48 96.96 0.41 0.00 0.01 0.01 76 K H H 125.12 1.67 12.71 14.63 92.21 50.70 -65.68 -39.54 5.17 0.04 94.78 1.43 0.57 2.92 94.23 0.79 0.00 0.02 0.02 77 A H H 72.07 1.49 11.36 13.18 92.37 51.71 -65.84 -37.46 11.03 0.07 88.90 2.41 1.16 6.86 88.12 1.38 0.01 0.03 0.03 78 A H H 85.72 1.04 9.98 11.31 93.27 53.44 -69.61 -26.38 30.69 0.21 69.09 6.08 3.16 20.91 67.77 1.84 0.02 0.08 0.12 79 S C H 88.35 1.24 8.78 10.80 97.65 57.70 -80.91 -8.82 60.34 0.39 39.27 26.36 1.78 29.78 40.08 1.62 0.00 0.15 0.24 80 E C C 141.39 2.12 10.20 13.74 104.12 101.09 -78.37 59.09 99.91 0.03 0.06 99.68 0.12 0.14 0.04 0.00 0.00 0.01 0.01