# 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 S C C 61.19 6.85 13.43 21.36 111.47 -155.84 -87.52 144.42 99.86 0.02 0.11 99.71 0.11 0.09 0.07 0.00 0.00 0.00 0.00 1 E C C 119.63 4.34 12.29 17.89 99.68 54.96 -72.26 -28.13 60.23 0.20 39.57 49.54 1.35 7.34 40.19 1.41 0.00 0.07 0.11 2 D H H 97.61 2.43 14.32 17.14 96.06 60.53 -69.83 -33.32 42.45 0.18 57.37 28.46 3.76 8.33 57.71 1.59 0.00 0.06 0.09 3 A H H 39.35 9.45 13.08 23.81 93.96 56.63 -66.24 -39.22 15.34 0.09 84.57 8.64 2.17 4.33 83.38 1.41 0.00 0.03 0.04 4 E H H 74.34 12.41 15.35 27.92 92.53 52.76 -64.44 -40.50 5.60 0.04 94.37 3.09 0.71 1.70 93.67 0.79 0.00 0.02 0.01 5 Q H H 102.80 4.01 19.60 24.09 92.22 50.91 -65.03 -40.72 1.55 0.01 98.44 0.72 0.18 0.55 98.24 0.30 0.00 0.00 0.00 6 E H H 106.12 3.31 22.06 24.96 92.08 49.58 -65.08 -41.01 0.59 0.00 99.41 0.21 0.05 0.24 99.38 0.12 0.00 0.00 0.00 7 A H H 15.82 16.25 17.98 34.83 92.17 50.19 -64.04 -43.22 0.36 0.00 99.64 0.10 0.02 0.17 99.66 0.06 0.00 0.00 0.00 8 V H H 30.67 15.84 19.39 35.16 91.67 49.63 -63.00 -42.55 0.25 0.00 99.75 0.04 0.01 0.13 99.79 0.03 0.00 0.00 0.00 9 A H H 54.47 3.35 23.91 26.62 91.29 50.89 -62.99 -42.22 0.15 0.00 99.85 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 10 A H H 36.97 6.70 21.51 29.20 91.61 50.58 -63.86 -42.24 0.19 0.00 99.81 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 11 L H H 13.03 19.33 15.14 35.07 91.85 50.06 -64.25 -42.53 0.33 0.00 99.67 0.03 0.02 0.21 99.65 0.10 0.00 0.00 0.00 12 V H H 64.55 9.79 16.86 27.35 91.62 50.52 -63.62 -40.48 0.91 0.00 99.09 0.08 0.04 0.66 98.87 0.34 0.00 0.00 0.00 13 A H H 84.72 1.83 18.08 19.96 89.52 57.76 -64.30 -26.50 9.84 0.01 90.15 0.20 0.24 9.75 89.26 0.54 0.01 0.00 0.00 14 L C T 79.80 8.64 14.19 24.24 92.52 54.47 -87.55 0.36 87.29 0.00 12.70 0.13 0.64 87.38 11.38 0.46 0.00 0.00 0.01 15 G C T 54.87 1.69 19.76 20.71 97.39 -99.29 90.89 8.98 99.86 0.00 0.14 0.32 0.65 98.94 0.07 0.01 0.00 0.00 0.00 16 Y C C 50.21 17.08 8.74 25.28 119.20 137.82 -86.14 143.61 99.68 0.29 0.04 95.85 3.69 0.04 0.02 0.00 0.00 0.05 0.34 17 K C C 122.23 2.09 21.44 21.99 115.37 -109.77 -71.77 145.83 99.89 0.05 0.05 99.49 0.42 0.02 0.03 0.00 0.00 0.01 0.03 18 P H H 70.14 12.45 12.21 25.02 91.69 -115.28 -56.73 -39.10 2.26 0.00 97.74 0.41 0.25 1.34 96.90 1.09 0.00 0.00 0.00 19 Q H H 127.13 1.39 20.03 20.04 91.83 52.84 -64.36 -38.55 1.33 0.00 98.67 0.21 0.10 0.85 97.57 1.27 0.00 0.00 0.00 20 E H H 83.38 5.60 19.77 25.99 92.08 49.14 -66.06 -40.04 0.59 0.00 99.41 0.14 0.05 0.31 98.34 1.15 0.00 0.00 0.00 21 A H H 4.99 21.65 12.70 34.72 91.89 51.55 -63.36 -43.08 0.40 0.00 99.59 0.09 0.03 0.20 99.43 0.26 0.00 0.00 0.00 22 S H H 47.63 8.84 20.24 29.62 91.60 52.06 -63.23 -41.30 0.66 0.00 99.33 0.09 0.03 0.41 99.24 0.23 0.00 0.00 0.00 23 R H H 143.20 1.61 24.16 23.72 91.77 50.57 -64.83 -40.86 1.32 0.00 98.68 0.08 0.05 1.13 98.38 0.36 0.00 0.00 0.00 24 M H H 33.43 13.89 19.47 33.94 91.95 49.29 -64.48 -42.64 1.02 0.00 98.98 0.10 0.06 0.76 98.61 0.47 0.00 0.00 0.00 25 V H H 11.25 22.53 15.63 37.88 91.75 50.82 -63.14 -41.67 0.85 0.00 99.15 0.11 0.06 0.59 98.39 0.85 0.00 0.00 0.00 26 S H H 65.95 4.49 21.46 26.43 91.29 53.62 -64.92 -34.46 4.10 0.01 95.89 0.30 0.21 3.35 92.87 3.25 0.01 0.00 0.00 27 K H H 119.51 3.81 21.51 25.47 92.11 53.44 -70.49 -29.60 12.03 0.01 87.95 0.54 0.63 10.70 84.75 3.35 0.01 0.01 0.01 28 I H H 26.39 18.53 14.21 32.45 97.10 50.89 -86.36 -13.95 26.38 0.22 73.40 5.20 4.50 17.42 70.05 2.55 0.05 0.07 0.16 29 A C C 44.71 14.20 14.53 28.48 104.71 93.13 -75.26 70.82 74.84 0.89 24.27 42.01 15.14 17.00 22.23 2.65 0.00 0.29 0.68 30 R C C 127.72 4.81 15.76 21.83 116.22 117.80 -95.53 129.58 96.60 0.60 2.79 62.51 30.06 3.95 1.69 0.94 0.00 0.18 0.67 31 P C T 101.61 4.45 11.88 18.18 96.88 -119.31 -62.29 -24.10 97.16 0.25 2.59 26.90 14.01 56.38 0.54 1.90 0.00 0.13 0.14 32 D C T 129.28 0.81 14.98 14.43 96.95 49.73 -90.30 13.70 97.70 0.26 2.04 29.31 13.08 55.32 0.36 1.67 0.00 0.14 0.12 33 A C C 33.27 12.62 8.25 21.34 118.99 123.29 -80.91 150.33 98.05 0.54 1.41 66.10 29.49 2.43 0.54 0.72 0.00 0.18 0.54 34 S C C 60.46 2.60 20.15 21.69 119.97 -115.07 -80.26 161.96 97.41 0.91 1.68 90.59 5.59 1.16 1.22 0.34 0.00 0.25 0.86 35 S H H 45.40 14.66 13.19 27.74 91.86 -105.92 -59.38 -38.44 9.97 0.05 89.99 2.91 2.85 4.34 88.61 1.25 0.00 0.01 0.03 36 E H H 114.16 4.92 18.74 24.67 91.51 52.98 -63.98 -40.44 4.86 0.02 95.12 1.12 0.65 2.79 94.37 1.04 0.00 0.01 0.01 37 T H H 62.92 3.87 20.72 24.64 91.93 48.61 -65.56 -40.87 2.10 0.03 97.87 0.83 0.29 1.02 96.93 0.91 0.00 0.01 0.01 38 L H H 21.07 15.97 16.83 33.56 91.59 50.38 -63.45 -43.47 0.47 0.01 99.52 0.18 0.05 0.19 99.43 0.15 0.00 0.00 0.00 39 I H H 30.90 16.71 18.53 35.31 92.09 49.24 -63.89 -42.48 0.24 0.00 99.76 0.06 0.02 0.11 99.74 0.06 0.00 0.00 0.00 40 R H H 122.52 4.54 22.88 27.62 91.58 50.28 -63.68 -42.19 0.16 0.00 99.84 0.03 0.01 0.08 99.84 0.04 0.00 0.00 0.00 41 D H H 64.35 6.04 22.53 28.95 91.81 48.59 -64.99 -41.09 0.19 0.00 99.81 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 42 A H H 13.85 16.53 17.74 34.95 92.00 51.18 -64.01 -42.37 0.25 0.00 99.75 0.03 0.01 0.15 99.72 0.08 0.00 0.00 0.00 43 L H H 52.39 11.54 19.36 31.34 91.72 50.45 -64.26 -41.72 0.51 0.00 99.49 0.07 0.03 0.33 99.40 0.17 0.00 0.00 0.00 44 R H H 133.13 2.90 21.46 24.06 92.02 50.41 -65.09 -40.58 1.44 0.01 98.55 0.18 0.09 1.00 98.33 0.39 0.00 0.00 0.00 45 A H H 40.05 7.70 17.11 26.27 92.24 51.40 -65.98 -38.54 5.26 0.02 94.72 0.61 0.37 3.86 94.23 0.91 0.00 0.01 0.01 46 A H H 36.05 11.84 14.37 26.93 92.75 52.75 -69.39 -30.63 16.73 0.06 83.21 2.03 1.50 12.49 82.39 1.51 0.01 0.03 0.03 47 L H H 91.42 5.89 14.48 21.42 97.63 55.69 -79.21 -18.73 36.03 0.45 63.52 9.95 6.32 20.27 60.62 2.36 0.04 0.17 0.26 48 H C H 124.69 3.73 12.50 17.63 104.04 74.73 -83.08 22.81 56.27 1.14 42.58 30.23 9.74 16.40 39.11 3.45 0.02 0.46 0.59 49 H C C 119.50 4.95 10.17 16.79 107.30 99.63 -89.14 75.72 68.01 1.11 30.89 43.83 8.53 15.12 25.65 5.73 0.00 0.52 0.61 50 H C C 128.78 3.93 9.42 15.12 108.25 114.47 -89.85 87.77 72.42 1.03 26.54 44.32 10.73 17.26 18.61 7.96 0.00 0.48 0.63 51 H C C 136.45 3.06 8.63 13.49 108.93 131.41 -91.64 97.00 77.36 1.12 21.52 47.93 11.50 18.03 13.14 8.19 0.00 0.56 0.65 52 H C C 138.20 2.95 7.93 12.77 110.67 112.03 -93.68 106.97 87.57 0.70 11.72 73.32 2.99 12.64 6.77 3.51 0.00 0.39 0.39 53 H C C 142.47 2.96 10.26 15.00 108.85 -158.64 -91.61 102.40 99.87 0.04 0.09 99.61 0.15 0.17 0.03 0.01 0.00 0.02 0.01