# 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 117.48 5.08 13.75 20.29 115.20 -149.98 -93.69 129.48 99.95 0.04 0.01 99.92 0.04 0.01 0.00 0.00 0.00 0.02 0.00 1 V C C 80.87 9.01 9.17 19.17 117.16 -156.86 -99.38 133.21 91.20 1.67 7.12 89.11 0.80 2.79 3.34 2.41 0.00 0.86 0.69 2 K C C 135.10 3.45 12.61 17.76 115.35 -152.08 -95.74 136.63 86.34 2.63 11.02 68.04 9.89 8.62 5.23 5.55 0.00 1.63 1.05 3 Q C C 114.30 6.15 12.41 20.30 113.67 -117.14 -85.41 134.75 81.93 3.56 14.50 59.61 12.91 9.60 7.52 6.80 0.00 2.22 1.34 4 M C C 61.86 12.85 11.35 24.78 116.34 -134.24 -92.98 138.22 86.89 2.67 10.45 71.52 11.13 4.22 7.13 3.37 0.00 1.41 1.22 5 K C C 104.06 4.35 20.09 24.45 115.58 -127.09 -83.95 146.48 88.43 2.57 9.00 80.74 5.14 2.07 8.27 1.22 0.00 0.96 1.61 6 A H H 30.25 16.91 11.77 28.25 93.48 -116.44 -59.58 -38.86 8.83 0.08 91.09 3.76 2.03 3.59 87.50 3.04 0.01 0.04 0.04 7 K H H 131.22 2.37 18.13 20.63 92.05 54.44 -64.18 -38.18 4.88 0.04 95.09 1.08 0.73 2.99 90.65 4.50 0.01 0.02 0.01 8 E H H 91.11 4.29 17.95 22.89 92.45 50.40 -66.60 -38.50 3.55 0.04 96.41 0.85 0.46 2.12 90.80 5.71 0.01 0.02 0.01 9 I H H 13.54 21.02 11.76 32.36 92.42 51.59 -66.35 -39.55 3.58 0.03 96.39 0.74 0.45 2.17 90.14 6.46 0.00 0.02 0.01 10 R H H 105.67 11.45 15.68 27.45 91.45 57.71 -66.90 -27.20 22.58 0.04 77.38 0.87 1.05 20.65 72.38 4.99 0.02 0.01 0.03 11 D C T 118.29 1.08 19.17 18.50 95.19 51.26 -90.11 -4.91 58.17 0.04 41.79 1.54 2.34 54.47 37.65 3.93 0.01 0.02 0.04 12 L C S 38.26 15.05 8.53 23.64 119.89 106.22 -77.87 148.35 98.97 0.21 0.82 42.13 55.99 0.77 0.74 0.10 0.00 0.04 0.23 13 T C C 74.13 2.05 20.33 20.79 120.06 -115.92 -76.28 162.01 99.19 0.50 0.32 98.55 0.58 0.11 0.23 0.02 0.00 0.08 0.43 14 T H H 65.15 12.61 12.20 25.10 91.95 -105.72 -58.18 -38.71 1.72 0.00 98.28 0.38 0.30 0.89 98.14 0.29 0.00 0.00 0.00 15 S H H 74.76 1.48 18.70 18.85 91.81 53.14 -63.99 -40.48 0.92 0.00 99.08 0.09 0.08 0.67 98.79 0.37 0.00 0.00 0.00 16 E H H 87.41 3.92 18.47 22.90 91.67 49.23 -65.23 -40.41 0.39 0.00 99.61 0.06 0.03 0.25 99.33 0.34 0.00 0.00 0.00 17 I H H 11.47 19.42 12.72 32.57 91.77 50.38 -63.56 -43.10 0.13 0.00 99.87 0.02 0.01 0.06 99.85 0.06 0.00 0.00 0.00 18 E H H 84.27 8.44 18.91 28.10 91.11 50.78 -63.13 -41.42 0.13 0.00 99.87 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 19 E H H 114.81 1.48 22.49 21.47 91.98 49.55 -64.50 -41.64 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 20 Q H H 70.66 8.82 19.91 29.35 91.95 49.10 -65.40 -40.79 0.28 0.00 99.72 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 21 I H H 16.67 19.09 15.39 34.69 91.80 49.98 -64.15 -42.34 0.49 0.00 99.51 0.05 0.03 0.32 99.52 0.07 0.00 0.00 0.00 22 K H H 112.00 3.45 22.26 25.65 91.47 51.14 -63.56 -41.21 0.91 0.00 99.09 0.14 0.06 0.58 99.11 0.11 0.00 0.00 0.00 23 S H H 55.75 2.54 22.27 23.64 91.61 50.10 -64.34 -41.25 2.48 0.00 97.51 0.31 0.16 1.71 97.63 0.19 0.00 0.00 0.00 24 S H H 13.88 15.69 16.44 32.96 91.86 50.39 -64.60 -41.64 2.88 0.00 97.12 0.56 0.24 1.73 97.26 0.21 0.00 0.00 0.00 25 K H H 86.24 11.33 19.09 30.42 91.49 52.86 -62.74 -41.33 0.98 0.00 99.02 0.24 0.08 0.44 99.14 0.09 0.00 0.00 0.00 26 E H H 112.35 1.67 22.79 22.26 91.70 50.53 -64.24 -41.51 0.34 0.00 99.66 0.06 0.02 0.16 99.69 0.06 0.00 0.00 0.00 27 E H H 80.18 6.59 20.20 27.51 91.80 49.68 -64.91 -41.24 0.25 0.00 99.75 0.03 0.01 0.14 99.74 0.08 0.00 0.00 0.00 28 L H H 24.99 16.71 15.44 32.48 91.74 50.47 -64.09 -41.89 0.22 0.00 99.78 0.02 0.01 0.14 99.75 0.08 0.00 0.00 0.00 29 F H H 103.62 3.79 20.87 24.70 91.69 50.32 -63.64 -41.53 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 87.15 2.38 21.40 22.62 91.90 49.71 -64.93 -40.93 0.85 0.00 99.15 0.04 0.02 0.65 99.19 0.09 0.00 0.00 0.00 31 L H H 27.96 13.57 14.96 29.67 91.90 51.40 -64.45 -40.99 0.87 0.00 99.13 0.07 0.04 0.58 99.08 0.23 0.00 0.00 0.00 32 R H H 108.41 8.34 17.42 26.60 91.76 52.49 -62.94 -41.24 0.72 0.00 99.28 0.10 0.05 0.43 99.04 0.38 0.00 0.00 0.00 33 F H H 124.71 1.50 19.08 18.85 92.09 49.81 -64.51 -41.09 1.13 0.00 98.87 0.13 0.08 0.78 98.51 0.48 0.00 0.00 0.00 34 Q H H 71.43 4.98 15.22 21.67 92.56 49.64 -65.71 -40.25 2.00 0.02 97.99 0.39 0.22 1.27 97.49 0.62 0.00 0.00 0.01 35 L H H 52.33 11.54 11.51 23.91 92.38 51.56 -65.05 -40.21 2.83 0.02 97.15 0.45 0.26 2.02 95.53 1.71 0.01 0.01 0.01 36 A H H 80.82 2.13 13.81 16.78 91.64 53.17 -66.14 -30.44 8.66 0.02 91.32 0.41 0.45 7.86 89.81 1.44 0.02 0.01 0.01 37 T C T 97.59 1.42 13.10 14.31 93.91 51.49 -86.74 -2.99 65.49 0.05 34.46 0.63 2.35 61.86 33.39 1.69 0.01 0.02 0.05 38 G C T 55.87 2.66 11.54 15.94 95.14 -112.16 78.91 10.64 99.08 0.03 0.89 2.78 6.90 89.57 0.48 0.23 0.00 0.02 0.02 39 Q C C 121.09 2.32 13.40 16.65 96.39 124.54 -81.14 -17.10 98.65 0.21 1.15 57.28 38.15 3.17 0.38 0.79 0.00 0.07 0.16 40 L C C 51.04 13.63 7.89 21.27 115.94 55.67 -112.68 119.06 97.21 0.49 2.29 72.91 19.79 4.32 0.69 1.59 0.00 0.15 0.55 41 E C C 149.43 1.75 15.29 17.51 100.51 -168.99 -85.34 -17.50 98.78 0.15 1.07 54.52 41.92 2.42 0.52 0.45 0.00 0.04 0.13 42 E C C 100.96 4.77 13.33 19.61 107.98 67.83 -101.18 97.35 98.39 0.21 1.40 80.59 16.19 1.59 0.96 0.39 0.00 0.05 0.24 43 T H H 74.49 7.75 11.71 21.22 94.00 -173.20 -64.97 -32.91 23.36 0.11 76.53 9.45 3.44 10.40 71.23 5.35 0.01 0.04 0.08 44 A H H 71.72 1.62 17.04 17.88 91.51 57.75 -63.90 -38.92 11.85 0.03 88.12 2.20 1.35 7.75 84.13 4.52 0.01 0.02 0.02 45 R H H 105.00 6.41 16.97 24.43 92.17 50.59 -66.20 -39.86 4.61 0.03 95.36 1.51 0.57 2.41 91.70 3.79 0.00 0.01 0.01 46 I H H 24.92 16.81 13.29 30.42 91.95 51.53 -63.57 -42.08 1.12 0.00 98.88 0.36 0.12 0.54 98.27 0.72 0.00 0.00 0.00 47 R H H 126.74 3.31 21.28 24.44 91.51 51.01 -63.88 -41.17 0.55 0.00 99.44 0.16 0.04 0.26 99.30 0.24 0.00 0.00 0.00 48 T H H 68.66 3.27 22.03 24.78 91.78 49.95 -64.60 -41.83 0.49 0.00 99.50 0.10 0.04 0.27 99.43 0.16 0.00 0.00 0.00 49 V H H 18.17 17.05 16.88 34.34 91.77 49.63 -64.12 -42.61 0.41 0.00 99.59 0.08 0.03 0.23 99.56 0.11 0.00 0.00 0.00 50 R H H 102.98 10.58 20.62 31.22 91.66 51.10 -62.95 -41.61 0.29 0.00 99.71 0.05 0.02 0.15 99.74 0.04 0.00 0.00 0.00 51 K H H 116.19 2.26 24.05 24.93 91.88 49.35 -64.69 -41.52 0.12 0.00 99.88 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 52 T H H 36.71 10.70 21.00 32.45 91.84 49.10 -64.62 -41.95 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 53 I H H 20.46 18.13 18.40 36.56 91.46 50.13 -63.33 -42.59 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 54 A H H 49.84 4.28 23.16 27.33 91.17 50.89 -62.87 -41.93 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 55 R H H 118.36 3.95 23.94 27.71 91.60 49.70 -64.45 -41.81 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 56 L H H 21.02 17.99 18.06 36.34 91.60 50.42 -64.37 -42.19 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 57 K H H 88.33 10.34 21.84 32.09 91.39 51.03 -62.95 -41.17 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 58 T H H 68.20 2.71 23.59 25.01 91.55 49.66 -63.74 -42.01 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 59 V H H 38.06 8.94 20.56 30.75 91.77 49.16 -64.24 -42.91 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 60 A H H 16.01 15.20 17.06 33.13 91.35 50.19 -63.64 -42.42 0.18 0.00 99.82 0.02 0.01 0.09 99.85 0.02 0.00 0.00 0.00 61 R H H 123.84 3.68 21.23 25.00 91.71 50.11 -63.79 -41.12 0.29 0.00 99.71 0.04 0.01 0.16 99.76 0.04 0.00 0.00 0.00 62 E H H 100.79 2.83 20.53 22.77 91.91 49.83 -64.84 -41.47 0.32 0.00 99.68 0.04 0.02 0.18 99.71 0.05 0.00 0.00 0.00 63 R H H 89.18 8.28 17.49 26.72 92.19 49.23 -65.58 -41.03 0.54 0.00 99.46 0.08 0.04 0.30 99.50 0.08 0.00 0.00 0.00 64 E H H 79.21 6.99 16.58 24.78 92.00 50.49 -64.07 -41.57 0.94 0.00 99.06 0.17 0.07 0.51 99.11 0.14 0.00 0.00 0.00 65 I H H 90.48 2.24 17.30 19.20 91.99 49.29 -64.64 -41.97 1.70 0.00 98.30 0.38 0.16 0.90 98.31 0.24 0.00 0.00 0.00 66 E H H 102.41 2.40 16.37 18.80 92.36 49.82 -65.25 -40.46 3.09 0.01 96.90 0.75 0.31 1.68 96.82 0.43 0.00 0.00 0.00 67 Q H H 77.99 5.10 13.31 20.01 92.53 49.99 -65.76 -39.42 5.45 0.02 94.53 1.34 0.68 3.08 94.10 0.78 0.00 0.01 0.01 68 S H H 61.74 2.72 13.09 16.80 92.50 51.29 -66.11 -37.84 10.99 0.05 88.97 2.98 1.44 6.11 88.31 1.12 0.01 0.02 0.02 69 K H H 137.23 1.43 12.52 14.01 93.57 51.03 -69.10 -33.99 20.09 0.10 79.81 6.10 2.90 10.89 78.20 1.80 0.01 0.04 0.06 70 A H H 72.63 2.75 9.90 14.05 95.60 57.96 -71.08 -27.76 36.08 0.18 63.74 10.71 4.72 20.53 61.87 1.99 0.01 0.06 0.12 71 N C H 121.40 1.75 9.55 12.36 99.31 53.31 -84.34 1.53 66.07 0.14 33.79 33.16 1.68 28.63 34.98 1.40 0.00 0.05 0.10 72 Q C C 132.62 2.32 10.81 14.57 103.96 77.71 -82.35 60.11 99.94 0.01 0.05 99.76 0.08 0.12 0.04 0.00 0.00 0.00 0.00