# 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 76.15 4.11 13.39 18.49 108.03 -124.83 -82.15 131.72 99.86 0.02 0.13 99.77 0.07 0.05 0.09 0.00 0.00 0.00 0.00 1 K H H 133.63 2.52 10.81 14.52 94.89 59.13 -66.73 -36.76 14.83 0.04 85.12 10.12 0.92 3.48 84.27 1.17 0.00 0.01 0.02 2 D H H 100.26 1.39 11.78 13.32 93.26 53.83 -66.42 -38.86 9.39 0.04 90.57 4.32 1.35 3.55 89.38 1.37 0.00 0.02 0.02 3 E H H 111.96 2.08 12.29 15.04 92.62 50.98 -65.96 -39.68 4.08 0.03 95.89 2.00 0.61 1.55 94.43 1.38 0.00 0.01 0.01 4 L H H 86.98 2.72 12.08 15.99 92.30 50.86 -65.17 -40.62 2.22 0.02 97.76 1.06 0.32 0.84 96.94 0.83 0.00 0.01 0.00 5 T H H 74.80 2.04 13.51 15.95 91.87 50.74 -64.79 -40.66 2.01 0.02 97.98 0.81 0.24 0.87 97.39 0.67 0.00 0.01 0.00 6 K H H 116.11 2.02 14.22 16.42 92.32 50.48 -65.36 -40.74 2.91 0.03 97.06 0.96 0.37 1.52 96.23 0.89 0.00 0.02 0.01 7 I H H 91.47 2.90 13.33 17.21 92.35 49.50 -65.57 -40.98 3.99 0.03 95.98 1.16 0.48 2.18 95.22 0.93 0.01 0.02 0.01 8 M H H 109.42 2.23 14.06 16.65 92.43 49.97 -66.23 -39.17 8.98 0.06 90.95 2.89 1.25 4.73 89.76 1.31 0.01 0.03 0.03 9 D H H 94.63 1.92 14.58 16.50 93.42 50.04 -68.98 -34.53 28.77 0.11 71.12 8.17 3.42 16.38 70.56 1.36 0.01 0.04 0.07 10 R H H 124.19 4.02 13.58 18.72 94.83 52.88 -72.45 -31.94 39.37 0.17 60.46 18.89 6.15 13.18 59.83 1.79 0.00 0.06 0.10 11 A H H 57.96 3.88 13.82 18.98 92.72 60.10 -63.51 -41.37 21.05 0.09 78.85 10.83 3.04 6.64 77.27 2.13 0.00 0.04 0.05 12 S H H 66.06 1.95 16.29 17.77 92.65 51.58 -65.56 -39.35 18.03 0.09 81.88 9.64 2.11 5.90 80.46 1.80 0.00 0.04 0.04 13 K H H 98.20 5.37 15.81 22.26 92.43 51.04 -65.65 -40.15 8.04 0.06 91.89 4.84 0.99 2.27 90.72 1.12 0.00 0.03 0.03 14 I H H 69.26 7.73 15.14 24.25 92.18 50.95 -64.42 -41.45 2.01 0.01 97.97 0.98 0.24 0.71 97.73 0.33 0.00 0.00 0.00 15 E H H 108.59 1.94 19.29 20.13 91.75 50.41 -64.13 -41.17 0.90 0.00 99.09 0.35 0.09 0.37 99.02 0.17 0.00 0.00 0.00 16 Q H H 92.92 3.26 19.07 22.39 91.91 49.91 -64.57 -40.99 0.60 0.00 99.40 0.17 0.05 0.29 99.38 0.11 0.00 0.00 0.00 17 I H H 36.80 12.69 14.68 28.58 91.77 50.58 -64.13 -41.90 0.38 0.00 99.62 0.08 0.03 0.19 99.63 0.07 0.00 0.00 0.00 18 Q H H 93.52 4.95 19.29 25.00 91.59 51.11 -63.59 -41.14 0.36 0.00 99.64 0.07 0.02 0.19 99.65 0.06 0.00 0.00 0.00 19 K H H 119.92 1.68 22.02 21.69 91.73 49.64 -64.46 -41.66 0.63 0.00 99.37 0.07 0.03 0.41 99.41 0.08 0.00 0.00 0.00 20 L H H 56.91 8.54 18.37 27.99 92.00 49.63 -64.95 -40.99 0.66 0.00 99.34 0.07 0.04 0.43 99.37 0.09 0.00 0.00 0.00 21 A H H 26.93 12.64 15.85 29.46 91.92 51.43 -63.39 -41.41 0.65 0.00 99.35 0.12 0.04 0.38 99.33 0.13 0.00 0.00 0.00 22 K H H 128.67 1.99 22.26 23.15 91.44 50.38 -63.93 -41.37 1.09 0.00 98.91 0.12 0.06 0.80 98.83 0.19 0.00 0.00 0.00 23 Y H H 121.74 3.31 21.48 24.37 92.09 49.04 -65.09 -41.40 1.43 0.00 98.57 0.17 0.12 1.02 98.47 0.20 0.00 0.00 0.00 24 A H H 19.34 14.02 15.56 30.60 91.92 51.22 -63.95 -42.24 1.35 0.01 98.65 0.34 0.14 0.72 98.55 0.25 0.00 0.00 0.00 25 I H H 76.63 5.98 19.63 26.42 91.69 49.73 -63.68 -41.86 1.52 0.01 98.47 0.32 0.14 0.94 97.80 0.80 0.00 0.00 0.00 26 S H H 57.01 2.09 20.70 21.47 91.60 50.43 -64.02 -40.77 3.01 0.01 96.99 0.35 0.22 2.22 95.13 2.06 0.01 0.00 0.00 27 A H H 25.69 8.44 14.19 24.95 91.73 51.02 -64.74 -39.26 8.11 0.01 91.88 0.61 0.50 6.56 88.53 3.77 0.01 0.00 0.01 28 L H H 65.19 10.60 13.12 24.66 92.34 52.45 -67.05 -35.50 23.71 0.07 76.22 2.26 2.02 19.05 72.99 3.57 0.02 0.02 0.06 29 N C H 114.46 1.71 15.43 16.85 94.43 52.87 -76.23 -20.05 55.31 0.24 44.44 5.02 9.14 40.31 42.78 2.42 0.04 0.08 0.21 30 Y C T 159.72 2.02 12.78 15.24 99.74 32.07 -91.86 -1.57 89.89 0.22 9.90 4.68 22.58 62.58 7.74 2.11 0.00 0.07 0.24 31 E C T 149.34 2.33 13.13 16.72 97.08 -109.58 50.33 25.26 96.51 0.19 3.29 12.47 27.57 56.78 1.66 1.29 0.00 0.08 0.14 32 D C C 75.74 4.59 13.62 19.68 105.53 123.89 -101.53 85.23 96.92 0.35 2.73 90.73 3.40 3.10 1.63 0.73 0.00 0.11 0.32 33 L H H 68.36 11.79 11.17 23.79 94.88 168.68 -65.66 -37.09 4.86 0.01 95.14 2.80 0.63 1.22 94.87 0.48 0.00 0.00 0.00 34 P H H 92.77 1.72 18.90 19.65 91.64 54.31 -63.34 -41.07 1.71 0.00 98.29 0.27 0.14 1.05 97.91 0.63 0.00 0.00 0.00 35 T H H 61.61 3.13 18.97 22.25 91.88 48.98 -64.86 -41.04 0.83 0.00 99.17 0.15 0.06 0.48 98.71 0.59 0.00 0.00 0.00 36 A H H 10.80 16.17 13.51 30.70 91.80 51.60 -63.26 -42.64 0.46 0.00 99.54 0.11 0.03 0.21 99.43 0.21 0.00 0.00 0.00 37 K H H 84.78 9.31 19.15 29.01 91.56 51.49 -62.81 -41.83 0.34 0.00 99.66 0.05 0.02 0.18 99.67 0.07 0.00 0.00 0.00 38 D H H 88.92 1.68 23.51 22.90 91.51 49.97 -64.13 -41.61 0.36 0.00 99.64 0.03 0.01 0.23 99.69 0.04 0.00 0.00 0.00 39 E H H 66.54 8.69 19.88 29.40 91.94 49.79 -64.89 -41.24 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 40 L H H 22.82 18.57 16.13 34.44 92.00 50.17 -64.44 -41.81 0.14 0.00 99.86 0.02 0.00 0.08 99.87 0.02 0.00 0.00 0.00 41 T H H 68.44 4.96 21.52 26.72 91.55 50.56 -63.43 -41.92 0.12 0.00 99.88 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 42 K H H 115.99 2.14 22.98 23.56 91.79 49.60 -64.56 -41.67 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 43 A H H 18.10 12.32 16.33 30.24 91.72 50.70 -63.96 -42.11 0.26 0.00 99.74 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 44 L H H 55.47 10.17 16.82 28.03 91.86 50.95 -63.90 -40.87 0.39 0.00 99.61 0.04 0.02 0.25 99.54 0.15 0.00 0.00 0.00 45 D H H 91.19 1.67 19.50 19.77 91.76 50.94 -64.46 -40.41 1.32 0.00 98.68 0.10 0.05 1.01 98.33 0.51 0.00 0.00 0.00 46 L H H 74.44 4.79 15.45 21.41 92.06 50.51 -65.37 -39.89 3.84 0.00 96.16 0.23 0.17 3.18 95.18 1.24 0.00 0.00 0.00 47 L H H 57.75 11.66 10.93 23.33 92.47 52.87 -66.84 -35.25 7.97 0.02 92.01 0.97 0.65 5.96 88.91 3.48 0.01 0.01 0.01 48 N H H 116.76 2.43 13.14 16.63 92.21 57.19 -68.11 -23.67 37.80 0.08 62.13 2.81 1.96 31.93 59.44 3.75 0.01 0.03 0.06 49 S C T 87.39 1.28 12.40 13.73 95.51 56.72 -79.60 -10.89 64.12 0.11 35.77 15.55 1.29 45.26 35.19 2.59 0.00 0.04 0.08 50 I C C 90.14 8.45 10.31 19.72 103.61 80.27 -80.01 14.88 99.94 0.02 0.04 99.84 0.07 0.05 0.02 0.00 0.00 0.01 0.00