# 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 130.64 3.21 9.75 14.62 113.50 -156.14 -91.30 129.48 99.92 0.07 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 T C C 99.89 2.57 7.87 12.30 115.79 -157.91 -100.74 136.61 92.32 3.27 4.41 88.33 1.19 3.47 2.19 1.43 0.00 1.64 1.74 2 N C C 118.95 2.03 7.83 11.50 111.94 -149.81 -95.20 127.72 86.53 3.93 9.54 58.41 17.27 10.87 4.13 5.25 0.00 2.07 2.00 3 A C C 84.06 2.48 7.71 11.82 106.87 -149.35 -85.93 69.21 82.91 2.50 14.59 51.51 18.64 12.90 5.85 8.53 0.00 1.28 1.30 4 N C C 109.78 2.64 8.33 12.52 108.94 105.72 -90.67 102.44 80.77 1.94 17.29 56.98 12.07 11.25 5.74 11.91 0.00 1.01 1.03 5 Q C C 132.61 2.63 7.81 12.16 100.24 63.71 -82.64 -5.69 82.54 1.24 16.22 41.30 15.13 26.40 4.84 11.01 0.00 0.59 0.73 6 N C C 129.47 1.23 8.87 10.90 100.63 65.95 -89.36 6.95 85.78 1.18 13.04 39.35 21.05 25.72 3.75 8.90 0.00 0.55 0.68 7 Q C C 119.06 2.65 7.95 12.45 116.33 106.80 -90.03 136.47 95.69 1.08 3.23 48.89 45.43 1.65 2.07 0.95 0.00 0.40 0.62 8 P C C 107.25 1.89 8.91 12.32 111.61 -106.23 -69.73 143.74 90.40 2.24 7.36 78.10 6.81 5.73 4.03 3.03 0.00 1.28 1.01 9 I C C 120.07 3.43 7.31 12.65 113.81 -135.29 -91.56 129.43 85.89 4.77 9.34 66.77 11.51 7.33 6.06 3.49 0.00 2.64 2.22 10 T C C 104.23 1.91 9.46 12.91 115.89 -158.26 -102.43 132.59 83.03 5.39 11.57 61.88 14.80 6.00 8.88 3.13 0.01 2.88 2.43 11 Y C C 144.44 3.61 7.74 13.31 117.03 -152.37 -97.17 131.94 73.95 2.54 23.51 51.92 16.89 4.38 22.87 1.89 0.01 1.24 0.80 12 P C C 92.38 2.31 10.22 13.67 104.76 -112.89 -69.58 89.50 58.80 1.74 39.45 43.41 6.29 7.47 38.96 2.38 0.00 1.03 0.46 13 I H H 111.44 2.41 9.79 13.36 98.61 -132.27 -72.53 -35.17 28.02 2.43 69.55 19.29 4.46 5.47 66.19 2.47 0.02 1.55 0.55 14 F H H 125.16 2.52 10.44 14.13 98.24 53.96 -73.34 -35.07 21.08 2.59 76.33 15.07 2.93 4.03 73.25 2.33 0.01 1.93 0.45 15 T H H 78.14 2.62 11.42 15.05 94.30 55.79 -68.74 -39.13 14.82 1.71 83.46 10.82 1.83 3.02 81.06 1.71 0.01 1.27 0.29 16 V H H 93.29 1.64 12.55 14.29 92.99 50.62 -66.21 -40.43 4.97 0.33 94.70 2.62 0.75 1.85 93.65 0.82 0.01 0.25 0.06 17 R H H 138.22 1.85 13.10 15.26 92.74 50.46 -66.01 -40.53 2.53 0.11 97.35 1.07 0.35 1.22 96.73 0.52 0.01 0.07 0.02 18 W H H 133.45 2.95 12.67 16.75 92.51 50.25 -65.62 -41.37 1.11 0.03 98.86 0.42 0.13 0.59 98.47 0.36 0.00 0.02 0.01 19 L H H 94.47 2.07 13.80 16.23 92.00 50.38 -64.51 -41.22 0.75 0.02 99.23 0.27 0.08 0.40 98.94 0.28 0.00 0.01 0.00 20 A H H 62.00 1.70 14.41 15.89 91.90 50.24 -64.66 -40.94 1.17 0.03 98.80 0.32 0.11 0.73 98.46 0.35 0.00 0.01 0.01 21 V H H 83.60 2.16 13.98 16.46 92.70 49.11 -65.88 -41.10 1.59 0.03 98.38 0.38 0.16 1.02 97.97 0.44 0.01 0.01 0.01 22 H H H 108.30 2.77 13.23 16.99 92.41 50.70 -66.23 -39.27 2.27 0.03 97.69 0.53 0.22 1.44 96.68 1.10 0.01 0.02 0.01 23 T H H 82.85 1.99 13.86 16.07 92.99 50.96 -66.76 -38.30 5.79 0.03 94.18 0.65 0.41 4.40 91.81 2.70 0.01 0.01 0.01 24 L H H 109.47 1.65 13.81 15.27 93.94 49.53 -71.84 -31.63 15.27 0.06 84.67 1.20 1.11 12.80 81.81 2.98 0.03 0.02 0.03 25 A H H 60.73 3.03 12.70 16.82 94.92 53.61 -72.74 -30.94 25.06 0.16 74.77 3.59 2.87 18.68 71.91 2.73 0.05 0.06 0.10 26 V H H 83.28 2.93 12.66 16.53 96.27 60.66 -68.25 -40.26 30.68 0.45 68.87 15.79 7.42 8.38 64.09 3.92 0.02 0.20 0.19 27 P H H 79.55 2.45 13.56 16.51 94.21 49.15 -68.56 -34.63 31.42 0.60 67.98 20.91 2.98 7.71 63.85 4.03 0.00 0.35 0.17 28 T H H 79.01 2.82 12.93 16.59 94.76 53.45 -69.48 -37.53 15.91 0.94 83.15 9.26 2.30 5.36 77.07 5.08 0.02 0.70 0.20 29 V H H 95.10 1.70 13.84 15.41 93.47 51.05 -66.27 -40.99 5.45 0.44 94.11 2.85 0.92 1.98 91.88 1.94 0.01 0.36 0.06 30 F H H 131.98 1.54 13.96 15.21 92.70 49.19 -66.25 -40.68 5.22 0.47 94.31 2.18 0.77 2.44 92.29 1.83 0.02 0.40 0.06 31 F H H 118.81 2.42 13.36 16.42 92.88 48.75 -66.59 -40.66 4.67 0.34 94.99 1.75 0.65 2.41 93.40 1.44 0.02 0.26 0.06 32 L H H 98.87 1.96 13.92 16.09 92.09 49.81 -64.70 -40.99 1.88 0.04 98.08 0.63 0.24 0.95 97.44 0.70 0.00 0.02 0.01 33 G H H 39.87 1.86 14.30 16.20 92.19 50.43 -64.31 -40.86 1.66 0.02 98.32 0.42 0.17 0.95 97.84 0.60 0.00 0.01 0.00 34 A H H 57.94 2.19 13.73 16.42 92.44 50.14 -65.29 -40.54 1.43 0.02 98.55 0.35 0.14 0.84 98.07 0.59 0.00 0.01 0.00 35 I H H 93.26 2.27 13.55 16.34 92.48 49.81 -65.37 -41.43 1.34 0.02 98.64 0.34 0.13 0.77 98.15 0.58 0.00 0.01 0.00 36 A H H 62.67 1.81 13.12 15.20 92.14 50.86 -65.06 -40.06 2.54 0.02 97.44 0.54 0.22 1.56 96.80 0.87 0.00 0.01 0.00 37 A H H 70.40 1.42 12.03 13.50 92.88 51.64 -66.35 -36.66 7.83 0.03 92.14 1.16 0.62 5.60 90.75 1.83 0.01 0.02 0.01 38 M H H 122.25 1.60 10.41 12.67 94.87 53.14 -72.95 -30.43 15.25 0.12 84.64 3.16 1.67 10.21 81.45 3.38 0.02 0.06 0.06 39 Q H H 126.19 1.69 9.07 11.91 97.85 64.79 -74.96 -22.47 29.39 0.66 69.95 9.69 4.23 16.29 64.27 4.82 0.05 0.37 0.27 40 F H H 159.52 1.22 8.02 10.13 101.71 64.92 -81.88 -7.97 39.94 2.24 57.82 16.91 6.32 18.04 51.81 4.75 0.08 1.34 0.75 41 I C H 135.56 1.23 6.82 9.23 104.72 73.69 -86.88 37.18 49.99 4.74 45.27 27.69 9.70 13.64 41.18 3.48 0.08 2.70 1.54 42 Q C C 143.59 1.25 6.85 9.46 109.74 116.55 -90.31 110.70 74.63 2.75 22.62 58.72 1.60 12.56 22.65 1.81 0.00 1.67 0.99 43 R C C 175.80 1.97 9.10 12.74 109.68 -152.28 -88.10 115.51 99.90 0.06 0.05 99.80 0.07 0.07 0.03 0.00 0.00 0.03 0.01