# 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 127.23 3.68 11.08 16.42 115.75 -144.10 -92.91 136.77 99.93 0.05 0.01 99.88 0.06 0.03 0.00 0.00 0.00 0.02 0.01 1 A C C 77.39 3.59 8.45 13.99 114.60 -122.58 -81.68 139.28 90.84 1.36 7.81 87.91 0.82 3.43 4.85 1.66 0.00 0.62 0.72 2 T C C 91.95 3.15 8.51 13.43 112.24 -142.74 -95.18 141.45 78.36 2.71 18.92 57.31 11.28 9.48 11.92 7.10 0.00 1.32 1.58 3 D C C 107.26 2.80 9.37 13.71 99.31 -130.83 -78.73 -7.99 64.55 2.30 33.16 40.37 12.30 12.34 20.30 12.36 0.01 1.13 1.19 4 F C C 139.48 3.14 9.59 14.21 98.00 69.78 -74.17 -13.75 55.95 2.30 41.75 26.93 12.75 17.19 25.97 14.74 0.06 1.12 1.23 5 N C C 94.57 3.97 10.40 15.92 99.72 61.14 -84.85 -3.25 59.56 2.44 38.00 35.74 10.37 14.13 25.82 11.40 0.02 1.19 1.34 6 R C H 143.98 3.44 10.15 15.26 98.99 75.92 -72.35 -23.49 55.68 1.81 42.51 17.48 10.89 28.13 28.99 12.35 0.15 0.89 1.12 7 G C T 46.27 3.31 10.96 15.63 99.57 48.32 -66.86 -20.56 59.69 1.36 38.95 17.93 11.04 31.50 25.60 12.33 0.10 0.66 0.85 8 I C H 110.84 3.14 9.98 14.63 100.08 63.05 -77.46 -24.42 55.52 3.30 41.18 24.03 13.19 19.59 24.27 15.50 0.14 1.63 1.64 9 M C C 119.80 3.43 9.69 14.68 105.59 67.26 -84.03 52.37 61.91 4.13 33.96 30.84 12.76 19.20 18.59 14.46 0.08 2.15 1.91 10 K C C 156.06 1.63 11.37 13.84 103.73 55.76 -83.41 21.01 71.45 3.17 25.38 36.17 16.13 20.11 11.67 12.77 0.03 1.58 1.54 11 F C C 118.54 5.51 7.90 15.06 111.14 122.42 -94.09 114.01 84.33 2.73 12.94 54.89 19.03 10.39 5.79 6.95 0.00 1.16 1.79 12 D C T 123.88 1.26 11.85 13.65 106.26 -155.00 -81.60 68.36 86.47 2.14 11.39 27.39 15.23 44.33 3.83 7.15 0.00 1.02 1.03 13 G C T 55.24 2.28 11.85 15.16 104.45 13.53 82.91 2.60 88.56 0.97 10.48 24.42 17.87 46.56 2.35 7.77 0.00 0.44 0.59 14 A C C 60.53 6.15 9.52 17.28 109.75 111.62 -83.91 114.66 87.77 1.25 10.98 53.51 13.08 20.92 2.85 8.23 0.00 0.55 0.85 15 D C C 91.02 5.47 10.43 17.57 110.02 88.56 -91.45 109.96 89.59 1.32 9.09 52.95 17.75 18.77 3.06 5.94 0.00 0.53 1.00 16 S C C 58.46 3.36 12.77 17.37 121.02 144.77 -96.72 158.18 91.35 0.53 8.12 50.92 38.02 1.66 8.33 0.54 0.00 0.11 0.42 17 P H H 102.56 2.34 11.20 14.84 92.73 -109.92 -60.82 -35.97 8.91 0.03 91.05 1.98 1.58 5.22 90.22 0.97 0.01 0.01 0.01 18 A H H 76.19 1.22 13.25 14.00 92.40 52.65 -65.45 -39.53 4.85 0.03 95.13 1.07 0.57 2.98 94.54 0.81 0.01 0.01 0.01 19 M H H 86.42 3.77 12.27 17.57 92.66 49.24 -66.58 -40.38 1.45 0.02 98.53 0.52 0.18 0.65 98.13 0.50 0.00 0.01 0.00 20 I H H 83.28 4.67 12.60 18.89 92.31 50.53 -64.84 -41.43 0.58 0.01 99.41 0.21 0.06 0.23 99.36 0.14 0.00 0.00 0.00 21 A H H 64.74 1.81 15.50 16.96 91.90 49.81 -64.39 -41.57 0.39 0.00 99.61 0.11 0.03 0.17 99.60 0.08 0.00 0.00 0.00 22 I H H 100.67 1.57 16.30 16.91 92.16 48.76 -65.25 -41.96 0.29 0.00 99.71 0.06 0.02 0.15 99.70 0.06 0.00 0.00 0.00 23 S H H 48.11 4.20 14.32 20.01 92.10 49.63 -64.55 -41.16 0.31 0.00 99.69 0.06 0.02 0.17 99.69 0.05 0.00 0.00 0.00 24 A H H 51.66 3.95 14.57 19.87 91.84 51.25 -64.17 -40.82 0.33 0.00 99.67 0.05 0.02 0.20 99.68 0.06 0.00 0.00 0.00 25 V H H 91.49 1.71 16.18 17.23 92.15 50.19 -64.57 -41.60 0.23 0.00 99.77 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 26 L H H 100.76 1.76 15.89 17.12 92.09 49.76 -64.73 -41.83 0.34 0.00 99.66 0.04 0.02 0.23 99.65 0.06 0.00 0.00 0.00 27 I H H 91.93 2.97 15.02 18.64 92.29 48.37 -65.22 -42.11 0.65 0.00 99.35 0.07 0.03 0.47 99.35 0.08 0.00 0.00 0.00 28 L H H 95.49 2.34 15.24 17.92 91.84 49.51 -64.60 -40.83 0.63 0.00 99.37 0.08 0.04 0.41 99.37 0.10 0.00 0.00 0.00 29 G H H 38.88 2.09 15.19 17.31 91.79 51.19 -64.58 -40.75 0.94 0.00 99.06 0.12 0.05 0.63 99.09 0.11 0.00 0.00 0.00 30 F H H 119.48 2.01 15.69 17.48 92.23 50.08 -65.43 -41.12 0.64 0.00 99.36 0.11 0.04 0.39 99.36 0.10 0.00 0.00 0.00 31 I H H 93.49 2.42 15.48 18.07 92.28 49.14 -65.11 -42.10 0.30 0.00 99.69 0.06 0.02 0.16 99.70 0.05 0.00 0.00 0.00 32 A H H 58.23 2.18 15.11 17.47 91.83 50.48 -63.64 -41.79 0.21 0.00 99.79 0.04 0.01 0.11 99.81 0.03 0.00 0.00 0.00 33 A H H 62.49 1.73 15.20 16.54 91.76 50.66 -64.10 -41.47 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 34 L H H 97.52 1.92 14.78 16.64 91.92 49.90 -65.12 -41.13 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 35 I H H 97.96 2.02 14.41 16.55 91.98 49.65 -64.98 -41.89 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 36 W H H 150.06 1.61 14.57 15.83 92.01 49.72 -64.40 -41.98 0.17 0.00 99.82 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 37 W H H 144.91 1.64 14.21 15.60 91.87 49.66 -64.59 -41.42 0.40 0.00 99.59 0.04 0.02 0.28 99.54 0.12 0.00 0.00 0.00 38 A H H 58.82 2.03 13.12 15.65 91.91 50.85 -63.98 -41.27 1.37 0.00 98.63 0.11 0.06 1.07 98.48 0.27 0.00 0.00 0.00 39 L H H 99.65 1.63 12.75 14.48 92.28 49.43 -65.73 -39.37 3.63 0.01 96.36 0.44 0.30 2.72 95.78 0.75 0.00 0.00 0.00 40 H H H 122.63 1.66 12.06 14.09 92.92 51.25 -66.57 -38.84 6.61 0.04 93.35 1.15 0.74 4.48 91.10 2.48 0.01 0.02 0.02 41 T H H 93.31 1.36 10.93 12.53 93.49 51.00 -68.80 -35.07 13.72 0.10 86.18 2.69 1.46 9.17 81.08 5.48 0.02 0.05 0.05 42 A H H 84.99 1.16 9.51 11.10 94.72 54.19 -71.56 -26.65 27.28 0.22 72.49 5.12 2.72 18.85 68.19 4.85 0.04 0.11 0.13 43 Y C H 176.83 1.24 8.40 10.46 99.82 49.08 -90.30 -4.79 50.29 0.66 49.05 21.58 1.83 25.69 47.12 3.07 0.01 0.28 0.41 44 A C C 74.94 3.53 10.20 15.45 106.43 94.31 -80.67 87.48 99.86 0.08 0.06 99.75 0.08 0.07 0.04 0.00 0.00 0.04 0.01