# 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 103.38 8.36 13.83 22.98 113.36 -167.97 -91.23 129.52 99.92 0.06 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 A C C 64.70 7.78 11.04 20.00 112.53 -146.05 -86.53 124.73 93.66 2.74 3.59 89.75 0.93 3.93 1.15 1.58 0.00 1.45 1.21 2 V C C 103.20 4.71 11.48 17.92 111.77 -150.48 -92.25 121.59 92.53 3.79 3.69 55.34 15.80 21.54 0.88 2.79 0.00 2.35 1.29 3 G C C 50.58 4.50 14.18 19.87 113.86 -40.92 84.27 163.37 94.55 2.53 2.93 50.37 23.29 20.94 0.57 2.47 0.00 1.50 0.86 4 V C C 56.33 11.83 11.82 24.46 118.98 -102.19 -99.96 138.58 95.82 2.93 1.25 75.13 19.03 1.36 0.67 0.54 0.00 1.14 2.14 5 S C C 54.09 4.33 19.47 23.98 118.42 -116.48 -77.53 154.71 98.51 0.47 1.02 93.78 4.38 0.43 0.87 0.11 0.00 0.16 0.26 6 P H H 53.19 14.44 12.15 26.72 92.51 -111.37 -58.06 -37.17 11.13 0.06 88.81 2.43 1.50 7.02 80.69 8.30 0.02 0.03 0.03 7 G H H 41.81 2.79 17.79 20.72 92.27 55.30 -63.72 -37.52 7.60 0.03 92.37 0.93 0.76 5.51 82.28 10.47 0.01 0.02 0.01 8 E H H 93.12 4.42 18.11 23.15 92.33 51.24 -67.54 -37.50 3.93 0.03 96.04 0.76 0.46 2.45 85.71 10.58 0.01 0.02 0.01 9 L H H 16.01 20.93 11.08 31.50 92.13 54.57 -65.68 -38.01 3.98 0.03 95.99 0.77 0.48 2.42 85.86 10.44 0.00 0.02 0.01 10 R H H 127.06 8.55 16.21 25.63 91.49 57.61 -66.73 -25.42 26.31 0.05 73.65 1.03 1.26 23.41 64.38 9.83 0.03 0.02 0.04 11 E C T 150.76 1.00 18.65 17.81 94.19 56.49 -85.20 -8.44 56.64 0.06 43.30 1.64 2.69 52.73 34.42 8.41 0.01 0.03 0.07 12 L C S 37.83 15.10 8.07 23.06 120.13 100.08 -80.24 150.04 98.89 0.24 0.87 36.87 61.13 0.78 0.79 0.11 0.00 0.04 0.27 13 T C C 74.55 1.94 19.67 20.05 121.13 -117.08 -77.26 163.76 99.33 0.25 0.42 98.77 0.50 0.15 0.31 0.03 0.00 0.05 0.18 14 D H H 81.50 10.94 12.32 23.83 91.78 -103.92 -58.05 -38.84 1.76 0.00 98.24 0.32 0.28 0.97 98.06 0.37 0.00 0.00 0.00 15 E H H 135.31 1.42 17.91 18.51 91.74 52.28 -64.72 -40.10 0.80 0.00 99.19 0.07 0.06 0.61 98.84 0.43 0.00 0.00 0.00 16 E H H 90.88 3.67 18.46 22.53 91.60 48.81 -65.33 -40.48 0.38 0.00 99.62 0.05 0.03 0.25 99.19 0.48 0.00 0.00 0.00 17 L H H 14.30 17.57 13.53 31.93 91.79 50.36 -63.59 -42.77 0.14 0.00 99.86 0.02 0.01 0.08 99.81 0.09 0.00 0.00 0.00 18 A H H 32.89 9.27 18.03 28.78 91.25 50.74 -62.84 -41.90 0.18 0.00 99.82 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 19 E H H 107.04 1.79 22.96 22.54 91.75 49.75 -64.07 -42.13 0.20 0.00 99.80 0.01 0.00 0.12 99.81 0.04 0.00 0.00 0.00 20 R H H 94.00 7.98 20.65 29.18 91.68 49.20 -64.87 -41.22 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 21 L H H 17.98 18.99 15.83 34.95 91.80 50.62 -64.12 -41.94 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 22 R H H 125.31 3.90 22.32 26.38 91.45 50.88 -63.47 -41.65 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.04 0.00 0.00 0.00 23 E H H 101.82 2.27 23.10 23.81 91.52 49.36 -64.47 -41.60 0.50 0.00 99.50 0.05 0.03 0.32 99.55 0.05 0.00 0.00 0.00 24 S H H 13.25 14.69 16.61 32.60 91.73 50.16 -64.03 -41.82 0.97 0.00 99.03 0.14 0.05 0.60 99.14 0.07 0.00 0.00 0.00 25 K H H 82.53 11.31 19.19 30.57 91.47 51.99 -62.96 -41.60 0.53 0.00 99.47 0.08 0.03 0.27 99.57 0.05 0.00 0.00 0.00 26 E H H 108.58 1.78 22.80 22.45 91.57 50.43 -63.81 -41.77 0.23 0.00 99.77 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 27 E H H 84.07 5.87 20.48 26.97 91.64 49.52 -64.70 -41.17 0.23 0.00 99.77 0.02 0.01 0.13 99.78 0.05 0.00 0.00 0.00 28 L H H 26.60 16.06 15.47 32.02 91.73 50.45 -64.02 -41.86 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.06 0.00 0.00 0.00 29 F H H 104.36 3.64 20.82 24.43 91.56 50.41 -63.61 -41.46 0.26 0.00 99.74 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 30 N H H 88.03 2.21 21.44 22.35 91.86 49.75 -64.86 -40.83 0.86 0.00 99.14 0.05 0.03 0.67 99.16 0.10 0.00 0.00 0.00 31 L H H 29.18 12.95 14.93 29.19 91.83 51.32 -64.21 -41.24 0.67 0.00 99.33 0.06 0.03 0.44 99.23 0.23 0.00 0.00 0.00 32 R H H 108.17 8.03 17.36 26.27 91.66 52.10 -63.11 -41.32 0.65 0.00 99.35 0.10 0.04 0.39 99.12 0.35 0.00 0.00 0.00 33 F H H 124.81 1.45 19.02 18.61 91.98 49.51 -64.51 -41.39 1.08 0.01 98.92 0.13 0.08 0.74 98.60 0.44 0.00 0.00 0.00 34 Q H H 72.51 4.64 15.15 21.26 92.39 49.56 -65.83 -40.22 2.09 0.02 97.89 0.40 0.23 1.35 97.34 0.66 0.01 0.01 0.01 35 M H H 60.75 10.82 11.42 23.25 92.27 51.70 -65.01 -40.29 3.37 0.03 96.61 0.56 0.32 2.41 94.88 1.81 0.01 0.01 0.01 36 A H H 82.62 1.88 13.68 16.22 91.57 52.97 -66.37 -30.22 9.58 0.03 90.39 0.48 0.52 8.69 88.77 1.49 0.02 0.01 0.01 37 T C T 97.54 1.39 12.95 14.11 93.77 50.62 -86.39 -3.80 65.29 0.06 34.65 0.67 2.58 61.30 33.65 1.70 0.01 0.02 0.06 38 G C T 56.98 2.32 11.68 15.60 95.12 -112.40 78.80 9.64 98.81 0.04 1.15 3.28 8.38 87.33 0.65 0.32 0.00 0.02 0.03 39 Q C C 123.34 2.12 13.67 16.56 96.46 122.95 -83.79 -14.17 98.66 0.26 1.07 61.17 34.46 2.96 0.34 0.78 0.00 0.09 0.20 40 L C C 45.05 14.81 7.45 21.60 119.22 62.89 -110.42 130.76 97.25 0.67 2.08 74.16 18.53 4.33 0.63 1.47 0.00 0.22 0.66 41 N C C 130.01 1.33 16.56 17.43 100.67 -168.26 -92.46 -13.36 98.48 0.25 1.27 63.03 31.35 4.14 0.52 0.67 0.00 0.08 0.21 42 N C C 77.55 5.91 12.69 20.24 109.10 70.27 -105.91 96.32 96.75 0.51 2.74 71.42 20.48 4.80 1.58 1.03 0.00 0.15 0.55 43 N H H 91.72 6.95 12.08 20.79 94.98 -173.82 -68.20 -26.85 26.19 0.15 73.65 13.76 5.82 7.49 69.30 3.47 0.00 0.05 0.10 44 R H H 164.55 1.25 17.05 17.35 92.05 59.67 -64.53 -39.24 7.75 0.02 92.23 1.51 1.04 4.83 89.30 3.30 0.01 0.01 0.01 45 R H H 107.48 6.46 16.99 24.43 92.36 50.48 -65.93 -40.29 3.18 0.02 96.81 0.86 0.36 1.77 94.00 3.00 0.00 0.01 0.00 46 L H H 27.21 16.06 13.53 30.03 91.91 51.62 -63.72 -41.90 0.85 0.00 99.15 0.24 0.08 0.42 98.37 0.89 0.00 0.00 0.00 47 R H H 126.60 3.40 21.45 24.77 91.64 50.81 -64.06 -40.97 0.79 0.00 99.21 0.21 0.07 0.43 98.89 0.39 0.00 0.00 0.00 48 T H H 61.71 3.84 21.63 25.41 91.71 50.23 -64.06 -42.30 0.77 0.00 99.23 0.19 0.07 0.44 99.07 0.23 0.00 0.00 0.00 49 V H H 19.67 16.57 17.34 34.42 91.80 49.60 -64.03 -42.60 0.59 0.00 99.41 0.14 0.05 0.31 99.41 0.09 0.00 0.00 0.00 50 R H H 99.45 11.08 20.72 31.68 91.57 51.26 -62.56 -41.91 0.17 0.00 99.83 0.03 0.01 0.09 99.85 0.02 0.00 0.00 0.00 51 Q H H 97.22 2.84 23.79 25.71 91.71 49.48 -64.44 -41.66 0.06 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 52 E H H 57.79 10.80 21.46 32.65 91.78 49.72 -64.68 -42.00 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 53 I H H 22.47 18.02 18.80 36.81 91.51 50.10 -63.48 -42.61 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 54 A H H 48.04 5.09 22.78 28.17 91.37 51.07 -62.79 -41.48 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 55 R H H 115.54 4.55 23.92 28.50 91.71 50.15 -64.32 -41.58 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 56 I H H 23.02 17.44 19.04 36.75 91.54 49.97 -64.12 -43.10 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 57 Y H H 82.11 11.36 21.50 32.88 91.54 50.18 -63.53 -41.88 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 58 T H H 63.50 3.46 23.00 25.89 91.43 50.02 -63.52 -42.42 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 59 V H H 37.11 9.46 20.01 30.74 91.73 49.33 -63.99 -42.78 0.23 0.00 99.77 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 60 L H H 28.04 14.33 17.41 32.60 91.67 49.72 -64.05 -41.93 0.40 0.00 99.60 0.05 0.02 0.23 99.60 0.10 0.00 0.00 0.00 61 R H H 113.87 4.72 19.70 24.92 91.86 50.31 -63.96 -41.39 1.02 0.00 98.98 0.16 0.07 0.61 98.91 0.24 0.00 0.00 0.00 62 E H H 95.24 3.96 17.95 22.44 92.38 49.89 -65.22 -40.71 1.83 0.01 98.16 0.31 0.16 1.15 97.86 0.51 0.00 0.00 0.00 63 R H H 106.02 8.11 15.55 24.46 92.98 47.82 -67.22 -39.70 3.55 0.02 96.43 0.63 0.34 2.36 95.83 0.82 0.01 0.01 0.01 64 E H H 107.50 5.45 15.09 21.77 93.07 48.31 -68.91 -35.25 8.65 0.04 91.31 0.98 0.81 6.52 90.66 0.97 0.02 0.02 0.02 65 L H H 103.39 2.96 14.41 17.96 95.54 46.26 -79.64 -16.85 37.96 0.19 61.85 3.02 4.17 29.65 61.06 1.85 0.05 0.07 0.14 66 G C T 47.88 3.69 14.15 18.90 100.19 -91.47 73.86 1.85 62.26 0.32 37.43 11.13 6.51 43.85 33.50 4.64 0.01 0.13 0.23 67 L C C 89.75 7.09 12.19 20.56 101.18 88.33 -81.67 -11.14 60.97 1.24 37.79 29.61 11.48 21.02 25.62 10.92 0.02 0.54 0.80 68 A C C 63.54 6.27 12.57 20.25 105.70 82.98 -83.42 39.01 68.04 1.96 30.00 33.04 14.58 21.13 19.90 9.32 0.03 0.86 1.16 69 T C C 91.75 4.15 13.34 18.77 107.98 52.69 -95.44 62.13 76.69 2.13 21.18 34.42 24.13 18.91 13.36 6.91 0.02 0.84 1.41 70 G C C 31.32 6.63 11.56 19.70 126.52 -137.11 -116.92 173.41 97.36 0.98 1.66 59.68 35.32 2.46 0.80 0.71 0.00 0.36 0.67 71 P C C 98.85 3.58 11.26 16.32 99.81 -76.51 -66.58 -20.24 81.28 0.81 17.91 40.07 14.03 27.63 4.59 12.78 0.00 0.37 0.53 72 D C T 116.86 1.71 11.38 13.84 100.92 49.02 -82.86 2.04 77.29 1.11 21.61 29.11 16.03 33.07 5.31 15.24 0.00 0.49 0.74 73 G C C 46.79 5.02 9.50 16.04 105.14 -7.26 56.14 10.99 74.43 1.47 24.11 37.20 18.70 19.04 6.20 17.28 0.00 0.67 0.91 74 K C C 144.68 2.83 9.63 14.15 107.20 100.52 -87.81 74.85 77.72 2.19 20.09 50.26 15.13 12.52 7.89 11.86 0.00 1.02 1.32 75 E C C 139.44 2.68 8.72 13.19 110.33 102.83 -87.45 121.89 88.06 1.14 10.80 78.36 2.59 8.60 4.66 4.58 0.00 0.60 0.61 76 S C C 84.17 2.85 10.77 15.37 111.29 -133.70 -91.94 129.93 99.91 0.03 0.06 99.74 0.11 0.09 0.02 0.01 0.00 0.02 0.01