# 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 126.55 3.82 9.86 15.32 116.24 -167.16 -99.06 130.17 99.86 0.11 0.03 99.76 0.11 0.05 0.01 0.00 0.00 0.05 0.02 1 T C C 98.11 2.75 8.03 12.66 115.79 -154.54 -98.52 134.47 92.04 3.66 4.30 87.88 1.31 3.68 1.85 1.57 0.00 2.00 1.71 2 K C C 148.92 2.30 7.87 11.95 111.93 -152.63 -94.39 122.89 90.39 4.03 5.57 64.85 15.95 9.44 1.85 3.70 0.00 2.22 1.99 3 N C C 109.66 2.57 8.18 12.33 110.54 -147.81 -95.62 110.42 93.18 2.03 4.79 74.53 11.35 7.14 1.57 3.21 0.00 1.10 1.09 4 I C C 121.89 3.42 7.33 12.55 102.38 -169.40 -86.28 0.33 95.24 0.69 4.08 61.54 12.50 21.40 1.39 2.45 0.00 0.36 0.37 5 N C C 131.18 1.08 9.47 11.02 100.76 71.41 -85.93 -0.98 95.65 0.57 3.79 55.11 20.19 20.49 1.25 2.33 0.00 0.26 0.36 6 Q C C 118.52 2.71 8.19 12.71 114.96 93.54 -93.98 132.29 94.30 0.99 4.70 61.22 30.83 2.36 3.23 1.37 0.00 0.35 0.64 7 P C C 102.13 2.48 8.87 13.04 111.27 -113.76 -68.74 143.85 83.98 1.87 14.15 68.63 6.72 8.85 8.11 5.74 0.00 1.07 0.88 8 V C C 106.60 3.24 8.07 13.10 111.99 -125.26 -90.13 128.32 77.40 5.44 17.16 53.60 12.06 11.39 11.09 6.40 0.01 3.14 2.30 9 A C C 79.10 2.64 9.49 13.76 113.20 -149.14 -98.32 129.76 72.25 7.23 20.52 49.19 14.14 8.70 14.60 6.31 0.03 4.20 2.83 10 Y C C 137.07 4.18 8.11 14.18 115.56 -146.80 -98.78 130.79 70.15 3.23 26.62 49.07 16.96 3.77 25.72 1.91 0.01 1.59 0.98 11 P C C 86.54 2.67 10.61 14.51 104.28 -114.46 -68.61 119.50 55.06 2.00 42.94 43.17 4.66 5.92 42.69 1.90 0.00 1.17 0.50 12 I H H 111.43 2.23 10.37 13.57 98.19 -128.03 -69.36 -37.11 19.61 1.30 79.09 13.40 2.87 4.10 76.76 1.76 0.01 0.82 0.27 13 F H H 123.81 2.51 10.83 14.43 95.34 56.14 -69.74 -35.54 11.47 1.29 87.24 7.95 1.57 2.67 84.95 1.67 0.01 0.99 0.20 14 T H H 76.06 2.73 11.54 15.40 93.78 53.89 -66.99 -38.71 6.18 0.68 93.14 4.09 0.84 1.70 91.52 1.22 0.00 0.53 0.09 15 F H H 126.65 1.71 12.75 14.65 92.65 50.65 -66.17 -40.56 1.99 0.11 97.89 0.98 0.28 0.82 97.35 0.47 0.00 0.08 0.01 16 R H H 135.90 1.97 13.35 15.67 92.55 50.92 -65.67 -40.56 1.20 0.06 98.74 0.48 0.15 0.59 98.48 0.25 0.00 0.04 0.01 17 W H H 133.33 3.04 12.90 17.09 92.39 50.16 -65.32 -41.62 0.72 0.02 99.26 0.25 0.08 0.39 99.09 0.18 0.00 0.01 0.00 18 L H H 94.99 2.21 13.96 16.64 91.98 50.19 -64.88 -41.25 0.51 0.01 99.48 0.16 0.05 0.29 99.36 0.14 0.00 0.01 0.00 19 A H H 62.22 1.81 14.55 16.22 92.04 50.25 -64.62 -41.03 0.76 0.01 99.23 0.17 0.06 0.48 99.09 0.18 0.00 0.01 0.00 20 V H H 81.99 2.35 14.17 16.91 92.75 48.53 -66.15 -41.23 1.24 0.02 98.74 0.22 0.10 0.85 98.54 0.27 0.00 0.01 0.00 21 H H H 106.80 2.97 13.31 17.33 92.65 50.25 -66.65 -38.51 2.59 0.02 97.39 0.42 0.22 1.82 96.77 0.75 0.01 0.01 0.00 22 G H H 41.47 2.53 13.09 16.48 92.85 53.03 -66.41 -36.18 8.82 0.03 91.15 0.76 0.55 7.22 89.13 2.30 0.02 0.02 0.01 23 L H H 115.77 1.58 13.30 14.80 94.69 50.15 -73.72 -28.42 20.23 0.08 79.70 1.39 1.39 17.34 77.07 2.69 0.04 0.03 0.05 24 A H H 68.74 2.64 12.24 15.77 96.36 54.95 -76.63 -24.53 29.34 0.31 70.34 4.30 4.17 21.47 67.20 2.45 0.09 0.12 0.19 25 I H H 95.93 3.63 11.09 16.17 102.21 67.51 -78.54 -25.50 44.08 1.01 54.91 23.57 13.96 7.68 50.43 3.49 0.04 0.40 0.44 26 P H H 82.94 2.70 12.28 15.90 101.54 49.56 -68.95 -13.96 44.81 1.26 53.93 34.38 3.45 6.53 50.37 4.17 0.00 0.79 0.29 27 T H H 84.72 3.14 11.61 15.93 96.97 60.19 -71.52 -31.04 26.55 3.86 69.59 18.52 3.65 5.92 61.65 6.38 0.03 3.22 0.62 28 V H H 98.00 1.87 12.52 14.74 94.64 58.51 -68.59 -38.82 12.84 3.30 83.86 8.33 2.16 3.54 77.40 4.95 0.03 3.24 0.34 29 F H H 132.45 1.79 12.84 14.87 93.95 52.34 -67.62 -39.22 12.51 3.59 83.90 7.09 1.94 4.17 77.60 5.07 0.05 3.77 0.32 30 F H H 121.33 2.54 12.36 15.81 93.87 50.38 -67.91 -39.22 13.09 2.41 84.50 6.89 2.03 5.02 78.87 4.52 0.06 2.29 0.31 31 L H H 101.16 2.06 13.11 15.67 92.67 51.45 -65.37 -40.18 7.23 0.41 92.36 3.07 1.20 3.48 89.33 2.52 0.03 0.29 0.08 32 G H H 41.36 1.85 13.58 15.64 92.83 50.87 -64.93 -39.35 7.41 0.20 92.40 2.33 1.03 4.30 89.67 2.45 0.03 0.13 0.05 33 G H H 37.07 2.53 12.85 16.32 93.33 51.85 -65.68 -40.25 7.23 0.22 92.55 2.56 1.05 3.92 89.60 2.63 0.03 0.15 0.06 34 I H H 93.93 2.39 12.59 15.76 92.89 50.13 -65.62 -41.43 5.23 0.26 94.51 2.17 0.87 2.55 91.62 2.54 0.02 0.18 0.05 35 T H H 84.34 1.63 13.04 14.71 93.09 50.91 -66.25 -39.51 7.21 0.25 92.53 2.80 1.01 3.63 89.40 2.90 0.02 0.18 0.06 36 A H H 71.55 1.51 11.51 13.26 93.53 52.30 -67.92 -34.73 13.47 0.25 86.29 3.88 1.70 8.05 82.23 3.87 0.03 0.15 0.08 37 M H H 119.89 2.05 9.78 12.98 96.13 56.22 -75.99 -21.85 21.32 0.59 78.10 8.23 3.37 10.72 71.65 5.41 0.05 0.34 0.22 38 Q H H 128.10 1.75 8.87 11.85 99.79 74.81 -77.61 -12.20 33.32 1.52 65.16 13.85 5.32 15.40 57.69 6.17 0.08 0.96 0.51 39 F H H 159.64 1.26 7.95 10.20 103.33 77.49 -82.70 3.66 42.73 3.38 53.89 19.28 7.23 17.84 46.22 6.09 0.14 2.18 1.02 40 I C H 135.45 1.30 6.63 9.22 105.98 78.98 -88.20 51.77 50.73 7.45 41.82 29.42 9.68 12.94 37.02 4.04 0.14 4.65 2.11 41 Q C C 143.01 1.30 6.86 9.56 110.96 66.30 -92.23 115.99 75.05 4.21 20.74 60.06 1.88 11.63 20.45 1.85 0.00 2.78 1.34 42 R C C 176.85 1.94 9.22 12.85 110.77 -144.20 -88.31 123.60 99.81 0.13 0.06 99.68 0.10 0.09 0.04 0.00 0.00 0.07 0.01