# 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 108.72 1.95 12.04 14.86 106.76 -128.01 -84.28 111.93 99.97 0.03 0.00 99.92 0.05 0.02 0.00 0.00 0.00 0.01 0.00 1 I C C 108.04 4.77 7.36 14.00 116.15 109.21 -96.45 129.30 92.16 6.52 1.32 90.04 1.35 0.65 0.96 0.21 0.00 1.72 5.06 2 A C C 80.03 1.86 10.23 13.24 116.04 -119.39 -75.02 147.33 95.82 1.41 2.77 87.43 6.79 1.81 1.99 0.67 0.00 0.84 0.48 3 P C C 99.82 3.02 9.67 14.48 112.69 -101.59 -68.45 143.91 90.07 1.93 8.00 76.89 8.44 4.92 5.64 2.23 0.00 1.06 0.82 4 I C C 110.21 4.18 7.99 14.04 110.77 -126.40 -86.46 121.32 83.75 3.52 12.73 72.19 6.99 4.11 11.06 2.17 0.00 1.62 1.85 5 T C C 98.86 2.05 10.48 13.67 108.62 -165.73 -92.78 99.21 76.51 1.93 21.56 57.04 10.00 7.49 21.65 2.12 0.00 0.92 0.78 6 G C C 44.87 2.68 11.18 14.87 103.52 30.17 -16.45 -36.56 61.93 0.85 37.22 37.47 13.57 8.92 37.34 2.00 0.00 0.32 0.37 7 T H H 87.62 2.09 11.17 13.96 96.39 55.60 -69.63 -37.83 22.12 0.42 77.46 13.84 4.27 4.63 75.16 1.76 0.01 0.18 0.15 8 I H H 105.61 2.22 11.29 14.30 94.44 51.97 -66.80 -39.46 11.24 0.40 88.37 6.64 1.98 3.45 85.77 1.79 0.01 0.22 0.13 9 K H H 126.95 1.85 12.45 14.74 93.34 51.97 -66.19 -39.75 8.41 0.33 91.27 5.45 1.18 2.41 89.12 1.54 0.00 0.19 0.09 10 R H H 141.49 1.75 13.31 15.22 92.88 50.68 -66.11 -39.85 4.62 0.10 95.28 2.57 0.63 1.54 94.46 0.72 0.00 0.05 0.03 11 R H H 134.54 2.24 13.48 16.19 93.01 51.51 -66.14 -39.48 2.88 0.05 97.07 1.52 0.35 1.03 96.64 0.41 0.00 0.03 0.02 12 V H H 83.30 2.44 13.49 16.57 92.41 50.99 -64.85 -41.59 1.74 0.03 98.23 0.88 0.18 0.65 97.99 0.27 0.00 0.02 0.01 13 I H H 103.16 1.63 14.80 15.96 92.23 49.52 -64.63 -41.62 0.76 0.01 99.23 0.30 0.07 0.32 99.16 0.14 0.00 0.00 0.00 14 M H H 104.63 1.83 14.97 16.55 92.17 49.26 -64.87 -41.28 0.47 0.00 99.53 0.13 0.04 0.23 99.52 0.08 0.00 0.00 0.00 15 D H H 79.05 2.66 14.08 17.46 92.16 49.55 -65.60 -40.67 0.59 0.00 99.41 0.13 0.04 0.32 99.42 0.09 0.00 0.00 0.00 16 I H H 97.68 2.21 15.10 17.40 92.12 49.35 -65.25 -41.30 0.45 0.00 99.55 0.08 0.03 0.26 99.55 0.08 0.00 0.00 0.00 17 V H H 85.73 1.79 15.93 17.13 92.06 49.50 -64.65 -42.07 0.41 0.00 99.59 0.06 0.03 0.23 99.59 0.09 0.00 0.00 0.00 18 L H H 93.34 1.95 15.90 17.51 92.12 48.80 -64.67 -41.47 0.53 0.00 99.47 0.06 0.03 0.34 99.41 0.16 0.00 0.00 0.00 19 G H H 35.75 2.81 14.61 18.21 91.97 50.84 -63.74 -41.58 1.03 0.00 98.97 0.09 0.05 0.73 98.84 0.29 0.00 0.00 0.00 20 F H H 125.98 1.91 15.94 17.52 92.14 49.61 -65.06 -40.79 2.36 0.00 97.64 0.19 0.14 1.82 97.33 0.51 0.00 0.00 0.00 21 S H H 63.59 1.87 16.05 17.47 92.25 50.48 -64.65 -41.46 4.39 0.01 95.60 0.42 0.33 3.35 95.28 0.61 0.00 0.00 0.00 22 L H H 96.81 1.81 16.20 17.46 92.23 49.50 -65.20 -40.97 5.17 0.01 94.82 0.60 0.49 3.79 94.35 0.75 0.00 0.00 0.01 23 G H H 36.43 2.80 15.00 18.36 92.38 51.04 -64.25 -41.14 4.38 0.01 95.61 0.63 0.42 3.02 95.14 0.78 0.00 0.00 0.00 24 G H H 39.24 2.31 15.32 17.81 92.32 50.52 -65.01 -41.17 3.53 0.01 96.45 0.58 0.37 2.34 95.90 0.80 0.00 0.00 0.00 25 V H H 87.00 1.75 15.96 17.11 92.11 49.87 -64.69 -41.61 2.70 0.01 97.29 0.52 0.28 1.68 96.84 0.66 0.00 0.00 0.00 26 M H H 106.21 1.69 16.01 16.95 92.23 49.91 -64.52 -41.07 2.50 0.01 97.49 0.45 0.22 1.57 97.21 0.54 0.00 0.00 0.00 27 A H H 55.23 2.68 14.26 17.61 92.02 50.57 -64.31 -40.47 2.13 0.01 97.86 0.34 0.16 1.36 97.71 0.42 0.00 0.00 0.00 28 S H H 60.38 2.52 14.04 17.25 92.04 51.02 -64.45 -40.41 1.57 0.00 98.43 0.22 0.12 1.03 98.23 0.40 0.00 0.00 0.00 29 Y H H 141.59 1.33 14.73 15.27 92.04 50.48 -64.98 -40.99 1.01 0.00 98.99 0.10 0.07 0.73 98.70 0.40 0.00 0.00 0.00 30 W H H 157.94 1.38 14.36 14.98 92.57 48.67 -66.15 -40.97 1.18 0.00 98.82 0.10 0.08 0.92 98.43 0.48 0.00 0.00 0.00 31 W H H 140.56 2.45 13.18 16.31 92.88 48.19 -66.68 -40.53 1.96 0.01 98.03 0.13 0.13 1.64 97.45 0.64 0.01 0.00 0.00 32 W H H 152.77 2.06 13.49 15.93 92.61 47.99 -66.60 -39.83 3.93 0.01 96.07 0.15 0.21 3.69 94.91 1.02 0.02 0.00 0.00 33 G H H 42.77 1.66 14.35 15.64 93.42 47.35 -67.36 -39.50 11.45 0.01 88.54 0.25 0.48 11.17 86.69 1.37 0.03 0.00 0.01 34 F H H 123.72 1.85 14.16 15.77 95.79 43.15 -74.59 -39.49 43.61 0.06 56.33 0.67 2.06 40.12 55.30 1.71 0.07 0.02 0.06 35 H H H 96.35 3.63 12.81 17.72 95.20 44.58 -74.74 -36.32 23.45 0.07 76.48 1.76 1.91 19.63 74.92 1.66 0.04 0.02 0.06 36 M H H 99.66 2.55 13.73 17.04 91.97 53.58 -63.47 -42.00 3.67 0.01 96.32 0.93 0.43 2.04 95.70 0.88 0.00 0.00 0.00 37 D H H 86.59 1.53 15.28 16.09 92.33 49.80 -65.06 -39.68 2.64 0.01 97.35 0.97 0.25 1.32 96.58 0.87 0.00 0.00 0.01 38 K H H 113.12 2.13 14.94 17.13 92.33 49.86 -65.58 -40.71 1.14 0.00 98.85 0.41 0.11 0.57 98.38 0.52 0.00 0.00 0.00 39 I H H 83.64 2.84 14.03 17.76 92.16 49.74 -64.56 -41.84 0.50 0.00 99.50 0.14 0.04 0.24 99.46 0.12 0.00 0.00 0.00 40 N H H 88.23 1.70 15.11 16.43 91.85 50.27 -64.19 -41.26 0.41 0.00 99.59 0.09 0.02 0.21 99.62 0.05 0.00 0.00 0.00 41 K H H 119.33 1.57 15.04 16.09 92.01 50.11 -64.92 -41.46 0.32 0.00 99.67 0.06 0.02 0.18 99.70 0.04 0.00 0.00 0.00 42 R H H 130.90 1.96 14.42 16.48 91.95 49.44 -64.93 -41.13 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 43 E H H 105.86 1.86 14.27 16.15 91.79 50.35 -64.45 -40.82 0.29 0.00 99.71 0.03 0.01 0.19 99.74 0.03 0.00 0.00 0.00 44 K H H 122.66 1.30 14.68 15.18 91.93 50.01 -64.97 -40.87 0.28 0.00 99.72 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 45 F H H 113.29 1.71 13.66 15.29 92.00 50.17 -64.54 -41.98 0.26 0.00 99.74 0.03 0.01 0.17 99.75 0.05 0.00 0.00 0.00 46 Y H H 126.09 1.84 12.71 14.86 92.22 49.49 -65.48 -40.33 0.27 0.00 99.73 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 47 A H H 59.24 1.78 11.67 14.08 91.94 51.15 -64.13 -40.14 0.49 0.00 99.51 0.06 0.03 0.32 99.45 0.14 0.00 0.00 0.00 48 E H H 128.84 1.12 11.21 12.24 92.91 50.79 -66.41 -38.20 1.97 0.00 98.03 0.15 0.10 1.50 97.89 0.36 0.00 0.00 0.00 49 L H H 124.22 1.12 9.28 10.82 93.59 51.64 -68.92 -32.25 8.46 0.00 91.53 0.58 0.47 6.75 91.64 0.55 0.00 0.00 0.00 50 A H H 85.47 1.26 8.48 10.55 95.40 54.91 -77.59 -15.38 40.36 0.07 59.57 10.75 0.87 25.70 61.96 0.63 0.00 0.02 0.06 51 E C C 141.97 2.00 10.70 13.93 102.13 80.61 -76.50 38.13 99.93 0.00 0.06 99.54 0.11 0.28 0.07 0.00 0.00 0.00 0.00