# 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 A C C 64.95 6.12 11.28 18.77 109.42 -136.77 -79.94 129.60 99.88 0.06 0.06 99.71 0.15 0.08 0.02 0.00 0.00 0.02 0.01 1 E C C 144.93 1.90 10.91 13.90 105.96 -118.27 -80.34 67.15 80.61 1.35 18.04 64.88 3.05 13.54 11.65 5.32 0.00 0.68 0.89 2 G C T 54.92 1.94 10.75 13.50 103.88 37.71 -51.36 -33.06 79.15 1.06 19.79 29.39 21.16 29.80 10.74 7.79 0.01 0.44 0.68 3 D C C 100.11 3.07 9.86 14.32 101.32 58.84 -83.29 6.57 74.49 0.70 24.80 38.57 18.44 17.96 17.45 6.78 0.00 0.26 0.53 4 D H H 91.76 2.90 10.99 15.10 101.98 80.62 -74.81 -28.51 48.91 0.22 50.86 26.52 16.93 4.02 51.12 1.24 0.00 0.06 0.12 5 P H H 93.53 1.77 12.40 14.53 93.98 62.38 -65.46 -38.46 8.62 0.03 91.35 2.92 1.27 4.23 90.32 1.23 0.00 0.01 0.02 6 A H H 59.19 3.14 12.31 16.57 92.49 50.86 -65.20 -40.41 3.43 0.02 96.55 1.19 0.43 1.69 95.75 0.92 0.00 0.01 0.01 7 K H H 110.24 3.03 13.96 17.82 92.40 51.51 -64.85 -40.90 1.20 0.01 98.79 0.48 0.15 0.50 98.39 0.46 0.00 0.00 0.00 8 A H H 61.10 1.85 15.13 16.68 92.12 50.49 -64.75 -41.10 0.74 0.00 99.25 0.27 0.08 0.33 99.13 0.19 0.00 0.00 0.00 9 A H H 60.00 1.97 15.07 16.95 91.91 50.16 -64.15 -41.80 0.59 0.00 99.41 0.17 0.05 0.29 99.36 0.13 0.00 0.00 0.00 10 F H H 107.52 3.48 14.20 18.51 92.02 49.27 -64.97 -41.07 0.51 0.00 99.49 0.14 0.04 0.25 99.47 0.09 0.00 0.00 0.00 11 N H H 92.52 2.21 15.76 18.01 91.89 50.76 -64.43 -40.36 0.57 0.00 99.43 0.15 0.05 0.29 99.45 0.07 0.00 0.00 0.00 12 S H H 68.28 1.52 16.27 16.77 92.29 50.14 -64.95 -40.73 0.82 0.00 99.18 0.15 0.06 0.48 99.23 0.08 0.00 0.00 0.00 13 L H H 91.70 2.70 15.12 18.16 91.97 49.43 -65.12 -41.15 0.64 0.00 99.36 0.13 0.05 0.35 99.40 0.07 0.00 0.00 0.00 14 Q H H 100.28 3.21 15.32 19.22 91.90 50.54 -63.92 -41.30 0.61 0.00 99.39 0.13 0.05 0.31 99.44 0.07 0.00 0.00 0.00 15 A H H 59.82 1.87 16.45 17.72 91.84 50.26 -64.10 -41.47 0.92 0.00 99.08 0.18 0.07 0.52 99.14 0.08 0.00 0.00 0.00 16 S H H 63.71 1.95 16.44 17.90 92.13 49.80 -65.30 -40.54 1.22 0.00 98.78 0.23 0.10 0.71 98.84 0.11 0.00 0.00 0.00 17 A H H 51.53 3.71 14.14 19.07 92.10 50.79 -64.14 -41.14 0.98 0.00 99.02 0.26 0.09 0.48 99.05 0.11 0.00 0.00 0.00 18 T H H 80.72 2.16 15.98 18.06 92.05 50.39 -64.82 -40.45 0.88 0.00 99.12 0.23 0.07 0.46 99.10 0.13 0.00 0.00 0.00 19 E H H 119.42 1.45 16.30 16.75 92.13 50.25 -64.98 -40.96 0.92 0.00 99.08 0.13 0.06 0.58 99.07 0.16 0.00 0.00 0.00 20 Y H H 130.71 2.36 15.36 17.86 92.32 49.51 -65.35 -41.35 1.10 0.00 98.90 0.16 0.08 0.72 98.77 0.26 0.00 0.00 0.00 21 I H H 92.75 3.18 14.83 18.77 92.14 49.82 -64.65 -41.42 1.17 0.00 98.83 0.15 0.08 0.81 98.39 0.58 0.00 0.00 0.00 22 G H H 39.80 2.16 15.50 17.64 92.01 51.01 -64.42 -40.19 4.87 0.00 95.13 0.21 0.17 4.36 94.04 1.21 0.00 0.00 0.00 23 Y H H 142.89 1.79 15.58 16.96 92.77 49.41 -67.94 -37.79 15.92 0.01 84.07 0.35 0.51 15.24 82.34 1.54 0.01 0.00 0.01 24 A H H 53.42 3.79 13.53 18.61 92.74 52.44 -66.51 -39.12 10.83 0.01 89.16 0.78 0.76 8.87 88.50 1.07 0.01 0.00 0.01 25 W H H 152.48 2.29 14.84 17.41 92.48 53.53 -63.91 -41.33 3.40 0.01 96.59 0.61 0.29 2.29 95.22 1.59 0.00 0.00 0.00 26 A H H 63.70 1.82 15.43 16.89 91.94 50.88 -64.64 -40.57 2.77 0.01 97.22 0.41 0.17 2.07 95.71 1.63 0.00 0.00 0.00 27 M H H 105.26 2.16 15.04 17.26 92.23 49.47 -65.74 -41.03 1.01 0.00 98.98 0.14 0.06 0.72 98.49 0.58 0.00 0.00 0.00 28 V H H 79.43 3.11 14.32 18.30 92.12 50.42 -64.61 -41.85 0.27 0.00 99.73 0.05 0.02 0.14 99.71 0.08 0.00 0.00 0.00 29 V H H 87.55 2.03 15.35 17.30 91.99 50.08 -64.49 -41.64 0.21 0.00 99.78 0.03 0.01 0.11 99.78 0.06 0.00 0.00 0.00 30 V H H 89.53 1.75 15.86 17.05 92.19 49.26 -65.32 -41.41 0.28 0.00 99.72 0.03 0.01 0.17 99.70 0.09 0.00 0.00 0.00 31 I H H 93.73 2.52 15.32 18.11 92.35 48.27 -65.43 -41.88 0.50 0.00 99.50 0.06 0.03 0.31 99.48 0.12 0.00 0.00 0.00 32 V H H 78.30 2.78 14.95 18.31 91.90 48.62 -65.09 -41.72 1.66 0.01 98.33 0.22 0.13 1.11 98.31 0.23 0.00 0.00 0.00 33 G H H 39.44 2.12 14.83 17.10 91.89 50.22 -64.46 -41.01 6.50 0.03 93.47 0.86 0.55 4.69 93.31 0.56 0.01 0.01 0.01 34 A H H 64.91 1.87 15.05 16.68 92.16 50.38 -65.95 -40.47 13.09 0.07 86.84 1.70 1.26 9.63 86.21 1.11 0.02 0.03 0.04 35 T H H 79.42 2.20 15.04 17.21 93.30 47.46 -67.05 -40.26 19.66 0.18 80.17 3.06 1.98 14.06 79.40 1.31 0.03 0.08 0.08 36 I H H 95.23 2.27 14.78 17.13 93.28 47.38 -66.76 -41.12 18.08 0.47 81.45 4.76 2.36 10.99 80.16 1.26 0.04 0.24 0.20 37 G H H 37.23 2.27 14.16 16.90 92.18 51.39 -64.03 -41.96 13.36 0.29 86.35 5.46 1.61 6.48 85.08 1.10 0.01 0.15 0.11 38 I H H 100.01 1.69 14.68 16.03 91.93 49.27 -64.94 -41.43 3.68 0.10 96.22 1.29 0.51 1.92 95.18 1.02 0.01 0.06 0.03 39 K H H 114.14 2.19 14.52 16.93 92.47 50.33 -64.72 -40.65 2.62 0.09 97.29 0.88 0.32 1.44 96.10 1.16 0.01 0.07 0.02 40 L H H 91.51 2.03 14.19 16.39 92.08 50.09 -64.58 -41.39 2.31 0.07 97.62 0.67 0.26 1.35 96.43 1.22 0.01 0.05 0.02 41 F H H 122.22 1.60 14.09 15.42 92.09 49.81 -64.49 -40.87 2.47 0.12 97.41 0.73 0.31 1.42 96.39 1.02 0.01 0.10 0.02 42 K H H 119.52 1.85 13.57 15.64 92.35 50.84 -65.37 -40.42 3.68 0.18 96.14 1.13 0.45 2.09 94.97 1.16 0.01 0.15 0.03 43 K H H 123.36 1.88 13.10 15.28 92.60 50.92 -65.59 -40.04 6.33 0.13 93.54 1.45 0.70 4.04 92.18 1.48 0.01 0.09 0.04 44 F H H 132.35 1.43 12.59 13.89 93.42 49.18 -66.60 -39.05 9.78 0.16 90.06 2.53 1.38 5.87 88.16 1.88 0.02 0.09 0.06 45 T H H 86.63 1.72 11.18 13.47 93.97 52.73 -67.78 -36.29 17.17 0.30 82.53 5.97 2.97 8.60 80.04 2.14 0.02 0.14 0.13 46 S H H 79.31 1.82 9.83 12.65 95.82 54.92 -72.44 -25.08 32.76 0.44 66.81 11.43 5.10 16.59 63.54 2.91 0.03 0.19 0.22 47 K H H 155.56 1.23 9.02 11.02 98.70 59.82 -77.95 -14.41 45.72 0.92 53.36 17.44 8.09 21.24 48.91 3.41 0.04 0.40 0.48 48 A C C 89.13 1.34 7.73 10.18 103.04 68.82 -84.37 15.47 66.65 0.85 32.49 43.81 2.13 18.99 32.25 1.98 0.00 0.37 0.48 49 S C C 84.81 2.21 10.14 13.79 107.99 69.01 -87.43 92.03 99.90 0.06 0.05 99.80 0.06 0.07 0.03 0.00 0.00 0.02 0.01