# 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 114.52 5.13 10.85 17.65 116.87 -156.31 -94.72 136.96 99.93 0.05 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.02 0.01 1 S C C 71.28 3.75 9.27 14.76 115.57 -140.72 -91.39 149.41 87.12 1.63 11.25 82.23 1.14 5.78 3.31 5.91 0.00 0.84 0.79 2 M C C 134.63 3.03 8.48 13.18 98.85 -136.34 -81.01 -6.34 75.78 2.21 22.01 41.81 13.87 19.58 4.11 18.42 0.00 1.10 1.11 3 F C C 139.41 3.55 8.28 13.53 103.04 75.43 -81.81 17.88 76.41 1.79 21.80 37.19 16.09 22.68 3.83 18.43 0.00 0.86 0.92 4 D C C 114.87 1.85 9.93 13.02 101.30 72.88 -88.76 11.84 82.49 1.19 16.32 46.17 19.78 15.73 3.32 13.70 0.00 0.53 0.78 5 K C C 125.76 3.72 8.83 14.51 115.83 102.18 -98.44 130.62 95.48 0.82 3.70 54.82 38.16 2.73 1.72 1.64 0.00 0.27 0.66 6 P C C 97.19 3.09 10.88 15.62 112.37 -115.17 -72.55 140.04 83.84 0.88 15.28 63.56 8.07 12.10 5.34 9.96 0.00 0.45 0.53 7 F C C 121.09 6.44 8.59 16.57 112.16 -135.93 -90.91 124.52 75.32 1.82 22.86 47.15 11.21 16.66 7.28 15.75 0.00 0.89 1.05 8 D C C 97.81 3.69 10.41 15.68 108.93 -156.57 -93.51 97.63 72.11 2.35 25.54 45.80 11.11 14.81 8.43 17.43 0.01 1.20 1.21 9 Y C C 149.87 4.24 9.19 15.13 107.43 91.34 -92.27 84.18 71.71 2.70 25.58 41.32 15.24 15.31 11.56 13.72 0.02 1.29 1.54 10 E C C 128.81 2.97 9.89 14.51 108.98 126.35 -87.67 100.71 77.51 2.12 20.37 46.51 17.39 13.71 12.22 7.96 0.01 0.95 1.25 11 N C C 113.00 2.86 10.30 14.61 105.54 -132.17 -85.00 49.22 76.92 1.31 21.77 39.98 19.16 18.01 15.90 5.57 0.01 0.54 0.82 12 G C C 46.88 3.68 10.58 15.71 108.27 17.07 4.17 -41.25 72.29 1.00 26.71 36.30 20.29 16.17 20.74 5.47 0.01 0.37 0.64 13 S H H 74.81 3.48 10.76 15.65 101.35 23.72 -77.27 -15.44 46.00 0.73 53.26 19.66 13.74 14.49 44.87 6.50 0.04 0.30 0.39 14 K H H 141.63 2.27 11.92 15.15 98.11 66.11 -75.30 -27.70 34.21 0.96 64.83 15.61 8.82 12.19 56.65 5.80 0.06 0.47 0.41 15 F H H 118.27 4.14 11.75 17.20 102.80 62.22 -79.72 -22.63 33.91 1.42 64.67 21.66 5.93 7.89 59.07 4.18 0.02 0.74 0.50 16 A H H 57.73 4.04 12.64 17.99 99.06 83.60 -72.03 -40.27 27.30 1.00 71.71 20.33 3.73 4.36 68.86 1.93 0.01 0.45 0.34 17 M H H 107.93 3.54 13.23 17.85 94.25 50.97 -66.23 -38.15 6.13 0.10 93.77 3.01 1.01 2.26 92.75 0.89 0.00 0.05 0.04 18 G H H 39.62 2.58 14.60 17.68 92.68 52.30 -64.81 -41.05 3.40 0.04 96.55 1.38 0.46 1.52 95.90 0.70 0.00 0.02 0.01 19 I H H 91.08 2.58 15.24 18.14 92.61 49.44 -65.82 -41.07 2.28 0.03 97.69 0.90 0.28 1.03 97.25 0.50 0.00 0.01 0.01 20 W H H 124.29 3.88 14.71 19.62 92.39 50.65 -64.98 -41.40 1.39 0.02 98.59 0.55 0.17 0.63 98.37 0.25 0.00 0.01 0.00 21 I H H 86.97 3.39 15.28 19.51 92.07 50.04 -64.43 -41.75 0.73 0.01 99.26 0.23 0.07 0.36 99.22 0.12 0.00 0.00 0.00 22 G H H 39.55 2.22 16.20 18.30 91.81 49.99 -64.06 -41.35 0.69 0.00 99.30 0.18 0.06 0.37 99.30 0.09 0.00 0.00 0.00 23 R H H 130.92 2.27 16.43 18.60 92.44 50.13 -65.53 -40.17 0.65 0.00 99.35 0.13 0.05 0.37 99.36 0.08 0.00 0.00 0.00 24 Q H H 90.54 3.89 15.42 20.25 92.33 50.56 -65.38 -40.81 0.57 0.00 99.43 0.10 0.04 0.34 99.44 0.08 0.00 0.00 0.00 25 M H H 103.97 2.99 15.81 19.31 91.98 50.40 -64.84 -40.84 0.90 0.00 99.09 0.14 0.06 0.60 99.07 0.13 0.00 0.00 0.00 26 A H H 61.94 2.18 16.97 18.76 92.07 49.68 -64.81 -41.55 0.93 0.00 99.07 0.15 0.07 0.62 99.00 0.16 0.00 0.00 0.00 27 Y H H 128.89 2.35 17.40 19.47 92.05 49.34 -64.60 -41.32 0.72 0.00 99.27 0.09 0.05 0.50 99.19 0.17 0.00 0.00 0.00 28 G H H 30.78 4.30 15.45 21.09 92.13 50.26 -64.18 -41.49 1.05 0.00 98.95 0.11 0.06 0.77 98.82 0.22 0.00 0.00 0.00 29 A H H 57.29 3.23 15.88 19.87 91.93 50.73 -64.47 -40.77 0.87 0.00 99.13 0.10 0.06 0.61 98.96 0.26 0.00 0.00 0.00 30 F H H 125.64 1.84 17.38 18.43 92.32 49.79 -65.17 -41.65 0.83 0.00 99.17 0.07 0.05 0.62 98.86 0.40 0.00 0.00 0.00 31 L H H 96.99 2.11 17.07 18.62 92.17 49.15 -64.95 -41.45 1.64 0.00 98.36 0.08 0.08 1.38 97.74 0.72 0.00 0.00 0.00 32 G H H 32.73 3.66 14.95 19.86 91.81 50.63 -64.19 -41.18 9.66 0.00 90.34 0.22 0.28 9.29 89.25 0.95 0.00 0.00 0.00 33 S H H 57.61 2.73 15.53 18.77 91.86 51.35 -64.49 -40.81 10.88 0.00 89.12 0.34 0.38 10.04 88.60 0.64 0.00 0.00 0.00 34 I H H 98.38 1.74 16.21 17.16 91.98 50.92 -64.46 -42.15 2.03 0.00 97.97 0.25 0.18 1.41 97.59 0.56 0.00 0.00 0.00 35 P H H 79.01 2.15 15.32 17.38 91.81 49.62 -64.23 -41.50 1.01 0.00 98.99 0.12 0.05 0.74 98.35 0.73 0.00 0.00 0.00 36 F H H 120.85 2.21 14.48 16.98 92.05 49.32 -65.13 -41.19 0.61 0.00 99.38 0.06 0.03 0.46 98.81 0.63 0.00 0.00 0.00 37 L H H 101.89 1.57 15.30 16.27 92.11 49.22 -64.55 -41.51 0.32 0.00 99.68 0.02 0.02 0.23 99.61 0.11 0.00 0.00 0.00 38 F H H 124.78 1.57 15.25 16.15 92.15 49.04 -64.76 -41.54 0.27 0.00 99.73 0.03 0.02 0.18 99.72 0.06 0.00 0.00 0.00 39 G H H 37.25 2.58 14.11 17.33 92.06 49.78 -64.50 -41.61 0.24 0.00 99.76 0.03 0.01 0.15 99.76 0.04 0.00 0.00 0.00 40 L H H 97.99 1.78 14.95 16.44 92.01 49.74 -64.61 -41.27 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 41 G H H 42.00 1.53 15.21 15.99 92.02 50.11 -64.37 -41.57 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 42 L H H 98.01 1.88 14.53 16.30 92.24 49.51 -65.04 -41.20 0.23 0.00 99.77 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 43 V H H 84.99 2.38 14.27 17.09 92.22 49.34 -64.61 -41.85 0.30 0.00 99.70 0.02 0.02 0.22 99.70 0.04 0.00 0.00 0.00 44 L H H 101.46 1.48 15.37 16.08 91.98 49.61 -64.40 -41.28 0.28 0.00 99.72 0.03 0.01 0.20 99.71 0.05 0.00 0.00 0.00 45 G H H 41.13 1.73 15.22 16.49 92.16 49.71 -64.33 -41.74 0.53 0.00 99.47 0.04 0.03 0.41 99.43 0.10 0.00 0.00 0.00 46 S H H 59.37 3.01 14.13 18.00 92.57 49.30 -65.41 -41.09 0.87 0.00 99.13 0.07 0.05 0.69 99.04 0.14 0.00 0.00 0.00 47 Y H H 131.76 2.55 14.52 17.63 92.46 50.30 -64.94 -41.03 0.89 0.00 99.11 0.07 0.05 0.72 98.81 0.35 0.00 0.00 0.00 48 G H H 40.81 1.58 15.45 16.29 92.18 49.98 -64.07 -41.89 1.69 0.00 98.31 0.10 0.08 1.40 97.72 0.69 0.00 0.00 0.00 49 L H H 91.74 2.33 14.87 17.41 92.38 49.29 -65.27 -39.88 1.70 0.00 98.30 0.11 0.09 1.38 96.41 2.00 0.00 0.00 0.00 50 G H H 28.97 7.21 11.36 20.48 92.25 55.00 -65.18 -33.42 4.73 0.01 95.26 0.23 0.19 4.01 88.29 7.27 0.00 0.00 0.00 51 L H H 119.67 2.02 14.01 16.59 92.39 56.57 -72.61 -21.95 25.12 0.01 74.86 0.36 0.57 25.14 66.60 7.31 0.01 0.00 0.01 52 M H H 141.53 1.17 13.93 14.39 95.42 54.30 -87.69 -8.36 40.76 0.05 59.19 1.06 2.55 36.85 54.07 5.37 0.04 0.02 0.06 53 L C S 61.84 9.59 6.76 17.46 119.66 101.85 -78.60 147.46 99.47 0.25 0.29 10.68 88.44 0.41 0.20 0.03 0.00 0.05 0.19 54 P C C 76.75 2.56 13.17 16.56 113.95 -102.87 -64.06 149.03 98.92 0.14 0.94 96.90 1.52 0.65 0.67 0.12 0.00 0.04 0.10 55 E H H 138.68 2.34 11.12 15.07 92.29 -112.39 -57.77 -37.29 16.59 0.14 83.27 3.44 2.62 9.49 61.21 23.08 0.03 0.07 0.08 56 R H H 160.26 1.30 13.44 14.57 91.88 56.24 -65.81 -32.91 9.95 0.06 89.99 1.24 0.93 6.33 63.50 27.93 0.01 0.04 0.02 57 A H H 41.05 8.00 10.25 20.07 92.10 54.60 -68.76 -28.99 6.12 0.05 93.83 1.04 0.61 3.49 64.42 30.40 0.00 0.03 0.01 58 H H H 103.85 7.07 11.29 19.87 92.42 60.49 -70.34 -20.71 20.03 0.21 79.76 3.29 2.65 12.06 56.99 24.75 0.05 0.10 0.10 59 Q C T 140.91 1.21 14.55 15.21 95.75 56.83 -89.39 -1.74 58.00 0.84 41.16 12.35 10.02 35.46 24.28 16.74 0.07 0.35 0.72 60 A C S 47.88 7.08 8.13 17.23 120.04 105.76 -78.41 148.77 99.22 0.43 0.35 36.98 61.53 0.77 0.21 0.09 0.00 0.11 0.32 61 P C C 102.20 1.87 13.15 15.72 114.47 -100.13 -66.30 150.06 99.14 0.59 0.27 85.34 12.40 1.33 0.09 0.15 0.00 0.20 0.49 62 S C C 68.84 5.95 10.00 17.68 114.99 -103.23 -73.60 143.12 98.97 0.63 0.40 88.59 8.97 1.37 0.14 0.21 0.00 0.21 0.51 63 P C C 91.83 4.73 10.84 17.18 97.59 -119.62 -69.59 -15.39 95.06 0.59 4.35 42.60 34.76 18.05 1.99 1.95 0.00 0.22 0.43 64 Y C C 137.67 4.37 10.30 16.22 107.71 77.23 -97.20 100.29 85.42 2.71 11.88 47.71 25.25 12.54 7.91 3.51 0.01 0.80 2.27 65 T C C 87.55 3.57 10.77 15.79 103.99 76.33 -76.71 15.01 63.06 1.28 35.66 40.08 9.29 14.02 26.91 8.43 0.01 0.63 0.63 66 T C H 93.77 2.93 10.52 14.92 101.61 59.20 -77.77 -5.83 49.41 1.69 48.90 28.93 7.79 13.45 39.11 9.08 0.02 0.99 0.62 67 E H H 124.13 2.83 10.45 14.72 100.21 58.98 -74.18 -17.49 33.58 2.85 63.57 21.25 6.21 7.88 52.05 9.87 0.04 2.01 0.69 68 V H H 94.52 3.18 10.38 15.09 101.27 55.93 -78.31 -17.90 27.59 4.60 67.81 19.48 4.63 5.45 58.63 7.16 0.04 3.90 0.71 69 V H H 92.94 3.42 10.48 15.43 101.30 52.57 -80.08 -20.42 26.68 6.68 66.63 19.30 4.32 4.83 58.98 5.62 0.04 6.09 0.83 70 V H H 95.12 3.22 10.49 15.14 102.25 52.06 -80.89 -13.85 28.91 6.75 64.34 21.23 4.32 4.81 58.39 4.40 0.03 6.01 0.82 71 Q H H 120.52 2.48 10.88 14.69 103.61 54.30 -78.92 6.17 35.33 5.37 59.30 26.17 4.55 5.44 54.37 4.14 0.02 4.63 0.69 72 H H H 130.44 2.89 9.99 14.39 104.72 55.04 -83.08 31.46 39.78 4.88 55.34 27.46 5.51 7.29 50.46 4.52 0.02 4.02 0.72 73 A H H 78.08 2.77 8.85 13.19 105.21 57.16 -82.55 37.74 45.96 5.09 48.95 31.36 6.47 8.31 44.34 4.66 0.02 3.99 0.85 74 T C C 100.55 2.22 8.11 11.94 105.74 62.33 -85.21 43.56 55.27 7.08 37.65 38.38 7.64 8.68 34.16 4.33 0.03 5.66 1.12 75 E C C 144.52 1.69 8.06 11.21 107.94 68.85 -87.00 95.95 62.05 10.73 27.23 43.99 7.59 8.95 24.68 4.08 0.03 9.02 1.65 76 V C C 115.65 1.99 6.98 10.72 112.03 85.46 -93.33 121.08 75.45 8.23 16.33 66.79 1.98 6.04 15.00 2.03 0.00 6.21 1.96 77 V C C 108.68 3.06 9.63 14.41 111.11 -151.85 -90.46 120.02 99.73 0.22 0.06 99.66 0.09 0.07 0.03 0.00 0.00 0.14 0.01