# 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 T C C 78.50 6.55 12.66 20.72 121.93 -169.95 -109.27 147.68 99.60 0.35 0.05 99.42 0.23 0.09 0.02 0.01 0.00 0.18 0.06 1 E C C 128.02 3.64 10.91 16.23 111.97 -128.91 -86.17 137.06 84.15 6.10 9.75 69.79 3.49 11.21 5.24 3.70 0.00 3.71 2.86 2 G C C 46.66 3.84 9.95 15.17 106.45 6.78 -66.53 -33.70 79.46 6.04 14.50 42.33 16.98 20.88 6.56 7.30 0.02 3.17 2.76 3 T C C 90.03 3.19 9.41 14.03 100.97 44.68 -78.82 -17.71 71.15 7.49 21.36 32.52 19.07 21.19 10.03 9.86 0.09 3.48 3.74 4 N C C 101.42 3.40 9.46 14.38 98.99 60.78 -76.33 -13.28 66.60 4.90 28.50 31.85 18.51 17.75 14.04 12.83 0.11 2.08 2.83 5 E H G 128.01 2.53 9.98 13.91 97.65 67.85 -72.89 -29.73 42.64 1.99 55.37 11.09 9.22 23.49 14.63 39.50 0.14 1.05 0.90 6 W H G 190.16 1.51 10.45 12.63 97.19 51.74 -74.54 -27.63 42.63 1.82 55.55 5.83 6.61 29.17 14.06 42.25 0.25 1.06 0.77 7 F H G 135.55 2.93 10.59 14.73 99.75 44.02 -92.92 -2.41 47.20 2.78 50.02 7.62 9.54 29.83 12.18 37.59 0.30 1.50 1.43 8 G C C 42.87 4.22 12.24 17.92 106.51 -119.99 77.12 19.63 86.03 7.01 6.96 39.93 20.91 26.22 2.05 4.42 0.01 3.16 3.28 9 V C C 78.14 6.64 9.45 17.68 111.55 94.53 -96.72 116.50 78.81 14.25 6.94 52.27 14.06 12.29 2.94 3.75 0.04 6.38 8.26 10 D C C 107.62 2.58 12.72 16.38 103.09 131.53 -93.83 15.33 87.66 5.22 7.12 53.82 20.38 13.65 3.30 3.62 0.00 2.68 2.53 11 D C C 68.19 5.26 11.08 18.26 118.98 98.43 -106.80 133.36 89.20 2.31 8.49 53.27 32.09 3.66 7.45 1.33 0.00 0.73 1.46 12 I H H 121.85 2.61 12.10 15.99 93.78 -140.45 -64.92 -31.52 14.22 0.23 85.55 3.17 3.96 7.94 82.94 1.71 0.07 0.09 0.12 13 R H H 153.99 1.53 13.70 15.26 92.73 55.71 -65.96 -39.57 7.30 0.16 92.54 1.29 1.06 5.20 90.55 1.68 0.07 0.09 0.06 14 V H H 62.73 5.30 12.36 19.51 92.67 49.55 -65.77 -41.10 2.92 0.13 96.95 0.69 0.37 1.90 95.49 1.39 0.03 0.08 0.03 15 L H H 77.42 4.51 13.54 19.64 91.86 51.67 -63.61 -41.39 1.36 0.06 98.58 0.43 0.17 0.77 97.84 0.73 0.01 0.04 0.01 16 A H H 60.74 1.80 15.82 17.13 91.49 50.55 -63.91 -41.70 0.70 0.03 99.28 0.16 0.07 0.43 98.74 0.57 0.00 0.02 0.00 17 V H H 78.44 2.60 15.22 18.26 91.89 49.65 -64.48 -41.82 0.55 0.03 99.41 0.09 0.04 0.38 98.84 0.61 0.00 0.03 0.00 18 L H H 79.37 4.78 13.71 19.97 91.84 50.17 -64.92 -41.15 0.91 0.02 99.07 0.09 0.05 0.71 98.38 0.76 0.00 0.02 0.00 19 F H H 125.36 1.97 15.39 17.26 92.30 49.63 -65.52 -40.92 3.41 0.04 96.55 0.21 0.17 3.04 95.67 0.87 0.01 0.02 0.01 20 I H H 103.36 1.51 15.64 16.21 92.57 48.70 -66.48 -40.07 10.38 0.06 89.55 0.69 0.69 8.90 88.88 0.76 0.03 0.03 0.03 21 G H H 33.02 3.65 13.52 18.52 93.36 50.70 -66.07 -39.70 13.25 0.11 86.64 2.93 1.65 7.98 86.57 0.76 0.01 0.04 0.05 22 H H H 104.00 3.55 13.79 18.50 92.51 53.64 -64.40 -40.28 5.07 0.05 94.89 1.02 0.55 3.24 94.31 0.84 0.01 0.02 0.02 23 Y H H 145.41 1.54 15.32 16.23 92.46 50.18 -65.47 -40.47 1.71 0.02 98.27 0.30 0.14 1.16 97.72 0.67 0.00 0.01 0.00 24 F H H 120.28 1.90 15.05 16.71 92.46 49.27 -65.88 -41.21 0.92 0.02 99.06 0.17 0.07 0.61 98.59 0.54 0.00 0.01 0.00 25 I H H 87.62 3.10 14.26 18.28 92.22 49.60 -64.88 -42.27 0.39 0.01 99.60 0.06 0.03 0.26 99.41 0.24 0.00 0.00 0.00 26 L H H 90.09 2.62 14.54 17.77 91.85 49.71 -64.13 -41.20 0.28 0.00 99.72 0.03 0.01 0.20 99.51 0.25 0.00 0.00 0.00 27 S H H 59.88 2.00 14.51 16.62 91.95 50.84 -64.23 -41.02 0.46 0.00 99.54 0.04 0.02 0.37 99.24 0.34 0.00 0.00 0.00 28 L H H 95.29 1.94 14.39 16.37 92.19 50.31 -64.98 -41.31 0.69 0.00 99.30 0.04 0.03 0.59 98.91 0.43 0.00 0.00 0.00 29 W H H 138.42 2.85 13.15 16.95 92.46 49.50 -65.91 -40.57 1.40 0.01 98.59 0.11 0.08 1.13 97.90 0.76 0.00 0.00 0.00 30 L H H 99.54 2.68 12.51 16.17 92.80 51.54 -66.61 -36.76 4.42 0.03 95.55 0.39 0.32 3.63 94.30 1.32 0.02 0.01 0.01 31 G H H 50.08 1.78 12.80 14.87 94.49 51.10 -67.86 -31.55 15.62 0.09 84.29 1.40 1.23 12.89 82.11 2.24 0.04 0.04 0.05 32 Q H H 126.51 1.87 12.03 14.45 97.35 52.08 -78.13 -26.27 29.29 0.39 70.32 4.69 3.74 21.37 66.41 3.28 0.11 0.18 0.21 33 Y H H 147.98 3.32 10.35 15.11 101.76 52.60 -92.87 -4.09 44.72 2.28 53.00 14.88 9.60 23.49 45.50 4.08 0.25 1.02 1.18 34 G C T 48.93 3.44 10.63 15.66 110.56 99.33 -77.25 161.45 70.73 2.50 26.77 27.57 14.85 29.17 20.25 5.74 0.05 1.20 1.16 35 N C C 122.65 1.98 11.58 14.49 106.95 -28.35 -92.51 77.76 77.67 3.00 19.33 34.07 17.42 27.25 11.90 6.45 0.03 1.43 1.45 36 A C C 72.48 4.63 7.94 14.40 112.12 145.03 -86.96 126.83 81.81 3.48 14.71 47.73 21.55 12.74 8.48 5.96 0.01 1.63 1.89 37 T C C 96.15 2.67 9.39 13.69 115.19 -159.16 -96.79 132.45 84.86 3.94 11.20 58.96 13.57 12.05 5.98 5.25 0.00 2.11 2.08 38 E C C 143.03 2.32 8.85 12.93 109.93 -136.56 -85.53 122.06 85.76 2.95 11.29 47.78 21.11 17.18 4.98 5.90 0.00 1.38 1.66 39 D C C 99.47 3.22 8.43 13.37 111.28 -152.20 -93.79 115.98 86.29 1.84 11.87 47.39 20.06 18.96 4.91 6.70 0.00 0.81 1.17 40 D C C 115.85 2.03 9.09 12.52 99.77 -157.65 -78.76 -9.18 76.67 1.28 22.05 30.43 19.43 27.47 9.75 11.48 0.01 0.54 0.89 41 D C C 114.12 1.72 9.48 12.12 99.96 72.27 -84.14 8.19 70.78 1.35 27.87 29.72 16.37 25.58 13.20 13.59 0.02 0.57 0.96 42 A C C 67.44 4.10 8.74 14.61 108.95 96.15 -86.53 115.03 64.32 1.50 34.18 33.71 14.55 16.32 18.40 15.39 0.02 0.66 0.96 43 D C C 99.65 3.21 10.21 15.06 109.52 -137.31 -89.00 112.45 65.74 2.19 32.06 40.06 11.17 14.48 19.68 12.33 0.02 1.10 1.16 44 F C C 131.45 4.52 9.20 15.40 108.15 -158.93 -92.68 69.04 59.34 5.78 34.88 34.47 11.17 14.28 22.11 12.21 0.10 3.09 2.55 45 F C C 139.59 3.50 9.68 14.85 110.45 135.67 -92.39 95.64 55.46 8.02 36.53 23.71 11.09 21.61 22.14 13.32 0.33 4.68 3.12 46 G C T 51.69 3.05 10.98 15.41 107.89 29.36 73.35 -16.78 61.81 6.90 31.28 23.64 14.13 25.55 16.52 13.49 0.20 4.29 2.17 47 E C C 137.67 2.30 10.79 14.54 108.71 55.56 -89.00 108.11 61.28 10.82 27.90 34.11 12.97 15.03 14.87 12.62 0.11 7.48 2.81 48 I C C 107.77 5.13 8.34 15.27 114.68 -143.01 -93.95 128.99 60.27 17.71 22.02 35.57 13.89 11.39 14.43 7.42 0.22 11.57 5.51 49 D C C 105.33 2.70 9.97 14.28 110.24 -151.54 -96.68 109.82 72.40 11.86 15.74 50.72 10.87 10.52 10.29 5.64 0.02 8.81 3.13 50 Y C C 154.74 4.07 8.04 13.96 107.04 -169.96 -92.03 68.70 76.95 9.01 14.03 50.13 13.69 13.44 8.59 5.21 0.02 6.11 2.80 51 T C C 105.52 1.88 8.15 11.53 105.86 113.63 -90.76 34.43 85.29 5.72 9.00 48.90 14.40 22.56 4.73 3.83 0.01 3.53 2.04 52 G C C 57.21 2.22 8.35 12.29 107.75 -122.52 -64.42 38.80 94.60 2.09 3.30 73.81 4.70 16.60 1.32 1.45 0.00 1.26 0.86 53 S C C 88.93 2.02 10.43 13.84 108.86 110.97 -90.50 98.32 99.82 0.15 0.03 99.48 0.28 0.12 0.01 0.01 0.00 0.08 0.02