# 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 S C C 49.53 7.60 14.08 22.73 110.14 -154.54 -87.43 113.69 99.55 0.14 0.30 99.39 0.14 0.13 0.23 0.02 0.00 0.05 0.04 1 A H H 58.23 4.59 12.55 18.61 95.34 62.39 -67.60 -34.10 18.15 0.24 81.62 10.45 1.59 6.85 77.86 3.01 0.01 0.11 0.12 2 W H H 114.42 6.94 9.73 18.22 93.13 55.50 -65.84 -37.89 12.08 0.24 87.68 3.09 2.06 7.56 79.49 7.48 0.08 0.13 0.10 3 R H H 149.69 2.97 11.45 15.96 92.71 52.79 -65.71 -38.75 7.34 0.18 92.48 1.95 1.07 4.32 81.92 10.54 0.03 0.12 0.06 4 K H H 160.50 0.97 12.63 13.36 92.14 53.95 -67.82 -28.20 13.14 0.16 86.69 1.91 1.58 9.33 76.59 10.34 0.07 0.09 0.08 5 A C T 66.93 3.90 10.36 15.94 94.53 55.48 -84.27 -4.17 61.59 0.12 38.29 0.99 2.43 58.77 31.41 6.18 0.04 0.04 0.14 6 G C T 59.83 1.07 14.85 15.01 96.45 -105.01 83.23 9.45 99.61 0.03 0.36 3.10 2.24 94.39 0.17 0.08 0.00 0.01 0.01 7 I C C 55.33 11.54 7.57 19.83 118.24 137.86 -91.03 137.81 98.91 1.00 0.09 96.60 2.24 0.11 0.05 0.02 0.00 0.29 0.70 8 S C C 58.37 2.34 17.42 19.26 122.01 -137.99 -85.95 164.39 98.67 1.19 0.14 98.00 0.73 0.07 0.09 0.02 0.00 0.26 0.83 9 Y H H 131.07 7.82 12.67 21.80 91.68 -107.33 -59.31 -38.42 1.40 0.00 98.59 0.24 0.20 0.80 98.54 0.21 0.00 0.00 0.00 10 A H H 69.24 2.52 16.50 19.12 91.89 52.19 -64.70 -40.54 0.61 0.00 99.39 0.05 0.04 0.44 99.22 0.24 0.00 0.00 0.00 11 A H H 49.06 4.29 16.53 21.82 91.87 49.30 -65.29 -40.52 0.20 0.00 99.80 0.02 0.01 0.13 99.66 0.18 0.00 0.00 0.00 12 Y H H 72.56 10.63 14.89 26.59 91.96 50.84 -64.23 -42.06 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.03 0.00 0.00 0.00 13 L H H 71.84 7.20 17.34 25.40 91.70 50.21 -63.91 -41.22 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 14 N H H 88.16 3.16 19.79 22.83 91.95 50.22 -64.57 -41.39 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 15 V H H 61.26 5.81 19.43 26.07 91.95 49.03 -64.42 -42.37 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 16 A H H 35.63 8.82 18.11 28.11 91.67 50.03 -63.64 -41.54 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 17 A H H 41.72 6.41 18.28 25.78 91.43 50.78 -63.18 -41.43 0.22 0.00 99.78 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 18 Q H H 96.88 3.16 20.53 23.48 91.72 50.03 -64.70 -41.17 0.24 0.00 99.76 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 19 A H H 40.10 6.72 17.51 25.44 91.67 50.49 -64.19 -41.98 0.33 0.00 99.67 0.04 0.01 0.20 99.70 0.05 0.00 0.00 0.00 20 I H H 70.58 8.49 16.79 26.02 91.91 48.90 -64.37 -41.78 0.69 0.00 99.31 0.10 0.04 0.42 99.26 0.17 0.00 0.00 0.00 21 R H H 127.33 5.27 16.95 23.03 91.66 50.33 -64.57 -38.02 2.03 0.01 97.97 0.23 0.13 1.44 97.48 0.70 0.00 0.00 0.00 22 S H H 76.29 2.62 17.15 19.76 92.32 52.72 -72.76 -24.65 11.83 0.02 88.16 0.46 0.51 10.78 86.94 1.27 0.02 0.01 0.01 23 S H H 55.11 7.35 13.44 21.81 96.13 55.27 -84.76 -10.10 36.69 0.17 63.14 2.66 2.77 30.82 61.43 2.11 0.04 0.07 0.11 24 L C C 68.67 11.27 9.49 21.35 113.12 94.81 -80.58 136.19 72.92 3.15 23.93 34.23 25.05 13.86 20.93 2.63 0.04 0.94 2.31 25 K C C 112.58 3.62 12.97 17.82 113.62 -124.05 -78.97 137.98 89.67 1.25 9.08 74.09 11.69 3.18 8.07 1.55 0.00 0.45 0.97 26 T H G 105.63 2.31 11.12 15.09 93.03 -123.52 -60.02 -34.71 32.38 0.43 67.19 4.75 4.31 20.99 31.57 37.88 0.05 0.22 0.23 27 E H G 148.87 0.92 13.02 13.39 92.14 57.51 -67.46 -29.43 30.52 0.26 69.22 3.03 3.10 21.46 34.33 37.75 0.05 0.13 0.15 28 L H G 81.05 6.53 10.47 18.53 97.67 46.96 -87.06 -19.79 30.02 0.93 69.05 6.42 4.93 17.22 33.11 37.31 0.09 0.50 0.41 29 Q C C 83.18 9.03 10.37 20.35 100.10 68.89 -80.23 -20.07 59.82 3.92 36.26 36.55 13.56 10.72 28.44 6.79 0.05 1.56 2.32 30 T C H 71.96 3.84 13.16 18.18 105.46 90.16 -80.89 -40.23 54.35 1.91 43.74 35.39 12.16 8.00 37.82 4.89 0.02 0.83 0.90 31 A H H 74.12 2.34 13.88 16.70 93.61 -1.06 -64.31 -36.94 32.24 0.74 67.02 13.41 6.64 13.43 55.83 9.94 0.05 0.40 0.31 32 S H H 60.59 3.98 13.96 19.05 93.30 52.74 -67.64 -36.00 29.75 0.78 69.48 13.31 4.96 12.36 58.03 10.55 0.04 0.46 0.29 33 V H H 52.90 9.09 11.51 22.01 93.70 52.67 -67.70 -38.29 26.81 1.25 71.94 15.03 4.99 8.30 60.04 10.42 0.04 0.74 0.42 34 L H H 94.31 4.16 14.35 19.66 92.81 56.60 -66.05 -35.79 33.56 1.90 64.55 19.21 6.78 9.88 55.88 6.48 0.06 1.05 0.67 35 N H H 98.34 2.69 14.77 18.02 94.58 52.37 -76.25 -18.65 48.43 1.68 49.90 28.92 6.69 13.91 41.77 7.09 0.02 0.92 0.67 36 R H H 115.57 8.34 11.26 20.67 95.09 76.00 -69.22 -29.05 46.23 1.66 52.11 19.37 7.72 19.68 36.20 15.25 0.09 0.92 0.77 37 S C T 76.20 4.22 13.43 18.83 95.54 62.16 -76.68 -13.16 54.60 1.69 43.71 16.26 9.80 28.82 27.81 15.42 0.12 0.90 0.86 38 Q C C 124.56 2.82 13.99 17.78 98.58 60.37 -89.20 -3.30 61.85 4.05 34.09 27.92 13.12 21.87 20.00 13.12 0.09 2.30 1.57 39 T C C 65.83 9.39 10.00 20.46 118.69 91.12 -98.79 139.78 72.72 13.18 14.09 47.79 15.73 9.45 8.99 5.40 0.05 9.57 3.02 40 D C C 97.14 4.01 14.32 19.72 111.32 -159.10 -101.39 109.99 68.01 25.07 6.91 49.61 11.34 6.82 3.41 3.49 0.01 22.39 2.92 41 A C C 52.74 10.99 10.42 22.23 120.19 -153.10 -105.33 136.12 58.46 37.66 3.88 47.49 6.97 2.75 1.78 1.99 0.00 37.29 1.71 42 F E E 109.54 5.88 15.44 23.00 124.58 -168.70 -119.03 141.26 29.44 68.15 2.41 24.77 3.75 1.45 1.38 1.17 0.00 65.93 1.55 43 Y E E 118.79 9.19 12.76 23.29 121.93 -152.80 -113.54 135.98 16.11 82.51 1.38 14.04 1.63 0.61 1.08 0.53 0.00 80.02 2.10 44 T E E 54.24 7.94 13.02 22.93 128.09 -174.02 -128.06 146.19 17.03 82.63 0.34 16.13 0.74 0.17 0.24 0.12 0.00 81.85 0.74 45 Q E E 105.81 4.39 15.00 20.76 117.03 -125.43 -91.03 137.99 20.11 79.60 0.28 17.70 1.50 0.27 0.13 0.12 0.00 79.99 0.29 46 Y E E 102.60 9.74 8.18 18.96 118.39 -137.18 -98.76 134.73 12.32 87.47 0.21 11.19 0.94 0.19 0.10 0.11 0.00 86.69 0.78 47 K E E 133.28 2.33 10.50 14.71 120.62 -175.46 -132.90 125.39 9.18 89.91 0.91 5.45 2.61 1.74 0.45 0.55 0.00 84.82 4.38 48 N C T 147.54 0.35 11.82 10.48 92.91 -13.61 53.64 41.02 98.50 0.70 0.80 1.11 6.53 90.86 0.04 0.80 0.00 0.53 0.12 49 G C T 55.77 2.89 10.18 14.66 94.55 -52.31 80.52 2.59 98.97 0.29 0.73 1.41 7.92 89.58 0.03 0.79 0.00 0.21 0.06 50 T E E 89.07 1.86 13.42 16.26 125.16 102.70 -116.17 142.70 11.58 88.30 0.12 6.09 5.43 0.73 0.05 0.09 0.00 84.10 3.52 51 A E E 52.75 8.48 9.76 19.84 112.43 -108.49 -67.00 139.97 11.43 88.46 0.11 9.60 1.29 0.24 0.04 0.07 0.00 84.26 4.50 52 A C C 51.85 7.31 10.37 19.31 108.47 -137.24 -81.97 131.26 74.61 24.04 1.35 50.21 14.32 8.81 0.16 1.38 0.00 24.17 0.95 53 S C S 91.71 1.90 12.73 15.16 100.30 -69.80 -84.84 -8.02 81.11 17.71 1.19 33.58 36.08 11.35 0.10 1.39 0.00 16.47 1.04 54 E C C 136.94 1.88 13.42 15.98 114.51 56.50 -98.70 117.55 84.33 15.44 0.23 62.45 20.42 1.07 0.03 0.25 0.00 14.96 0.81 55 P C C 71.64 10.60 8.35 19.49 115.62 -126.72 -69.73 145.47 77.59 22.23 0.18 70.98 4.91 0.77 0.03 0.18 0.00 21.06 2.07 56 T E E 78.26 4.52 12.79 19.15 120.46 -154.61 -113.23 137.39 49.45 50.47 0.08 41.63 7.35 0.32 0.02 0.07 0.00 46.24 4.36 57 P E E 95.52 3.99 13.30 19.00 112.48 -107.82 -65.98 140.38 43.13 56.77 0.10 41.48 1.32 0.18 0.04 0.06 0.00 50.43 6.48 58 I C C 74.41 12.86 10.94 23.63 104.07 -144.23 -85.42 19.19 99.68 0.31 0.01 99.63 0.11 0.05 0.00 0.00 0.00 0.19 0.02