# 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 124.71 4.15 13.59 19.12 110.53 -134.68 -88.76 118.14 99.95 0.05 0.00 99.92 0.04 0.02 0.00 0.00 0.00 0.02 0.00 1 A C C 62.78 7.53 11.44 20.32 116.04 -159.92 -91.95 140.12 95.72 4.02 0.25 93.75 0.65 1.45 0.04 0.14 0.00 3.60 0.35 2 K C C 104.76 8.00 15.23 24.22 116.30 -139.77 -95.42 134.61 75.47 24.23 0.29 59.04 13.31 1.71 0.03 0.32 0.00 25.12 0.47 3 T E E 48.17 11.49 17.96 30.25 123.94 -152.67 -112.88 139.56 19.03 80.91 0.06 16.58 1.53 0.11 0.01 0.05 0.00 81.44 0.28 4 I E E 11.45 21.63 16.55 38.47 122.74 -161.90 -117.58 133.88 1.22 98.78 0.00 1.12 0.05 0.00 0.00 0.00 0.00 98.80 0.02 5 K E E 74.88 9.47 25.97 35.83 117.63 -151.30 -102.70 129.49 0.32 99.68 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 6 I E E 4.47 25.71 17.02 43.58 121.12 -166.08 -116.43 129.87 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 7 T E E 41.99 9.05 26.13 35.89 120.95 -164.71 -114.53 131.49 0.41 99.59 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 8 Q E E 29.99 20.58 15.37 35.76 110.58 -125.57 -79.30 124.39 6.44 93.53 0.03 5.90 0.38 0.03 0.01 0.01 0.00 93.56 0.12 9 T C E 65.95 7.36 21.02 29.05 101.99 177.37 -98.70 -23.15 55.12 43.86 1.01 36.52 16.73 1.71 0.33 0.56 0.00 43.39 0.77 10 R C S 113.42 5.98 19.87 26.73 134.34 15.02 -140.45 152.46 71.73 24.81 3.46 32.85 35.58 4.70 1.25 1.88 0.01 22.08 1.65 11 S C C 53.57 11.28 15.44 27.04 117.21 -112.86 -80.27 146.98 85.95 9.42 4.64 74.24 7.96 3.65 1.56 2.90 0.00 8.27 1.41 12 A C C 46.92 12.84 14.02 27.20 97.65 -145.29 -83.61 -6.79 79.33 5.12 15.55 52.62 14.15 12.33 3.18 12.59 0.00 2.77 2.36 13 I C T 104.92 5.91 14.60 22.23 111.96 107.42 -75.74 129.87 82.28 3.21 14.51 19.13 20.40 43.32 2.62 11.22 0.02 1.70 1.60 14 G C T 55.69 2.83 16.78 20.09 98.09 17.74 82.84 1.52 87.79 1.64 10.56 26.01 21.14 40.77 1.55 8.93 0.00 0.87 0.74 15 R C C 75.70 15.48 9.31 24.09 120.58 122.23 -86.46 147.31 94.39 2.84 2.77 57.46 33.83 2.51 1.32 1.20 0.00 0.73 2.95 16 L C C 79.73 5.33 15.26 21.96 114.19 -101.53 -68.85 146.68 99.37 0.19 0.44 93.25 5.88 0.22 0.40 0.04 0.00 0.05 0.15 17 P H H 101.66 2.62 14.48 18.38 91.51 -112.76 -56.48 -39.79 2.64 0.00 97.35 0.34 0.27 1.72 96.90 0.76 0.00 0.00 0.00 18 K H H 132.86 2.46 17.50 20.36 91.19 52.45 -64.31 -38.16 1.79 0.00 98.21 0.19 0.13 1.28 97.55 0.85 0.00 0.00 0.00 19 H H H 30.64 17.60 14.55 31.96 92.33 48.49 -66.23 -40.79 0.89 0.01 99.10 0.23 0.09 0.48 98.43 0.76 0.00 0.01 0.00 20 K H H 73.55 14.13 17.19 30.97 91.33 52.54 -61.82 -42.27 0.39 0.00 99.60 0.09 0.03 0.18 99.51 0.18 0.00 0.00 0.00 21 A H H 58.27 2.42 23.54 24.47 91.42 50.37 -63.92 -41.37 0.65 0.00 99.34 0.08 0.03 0.44 99.25 0.20 0.00 0.00 0.00 22 T H H 29.24 12.19 20.48 33.37 92.00 49.88 -64.67 -43.10 0.83 0.01 99.17 0.10 0.06 0.56 98.96 0.31 0.00 0.00 0.00 23 L H H 3.26 25.82 15.69 41.85 91.36 49.68 -63.68 -43.46 0.87 0.01 99.11 0.14 0.07 0.55 98.28 0.94 0.00 0.00 0.00 24 L H H 91.83 7.95 21.19 29.74 91.48 50.83 -63.18 -40.50 1.86 0.01 98.13 0.13 0.09 1.50 96.11 2.15 0.00 0.01 0.00 25 G H H 46.20 3.57 21.60 25.48 90.59 56.24 -65.54 -27.93 10.52 0.01 89.47 0.22 0.30 10.42 87.22 1.83 0.01 0.00 0.01 26 L C T 26.87 18.25 15.76 34.27 92.28 54.97 -83.96 -6.43 72.69 0.06 27.24 0.56 1.86 70.27 25.31 1.91 0.01 0.02 0.06 27 G C T 37.32 4.92 24.11 29.97 98.08 -110.08 87.33 16.09 99.19 0.02 0.79 2.88 1.80 94.70 0.46 0.13 0.00 0.01 0.01 28 L C C 11.76 23.73 9.86 33.03 110.47 153.03 -79.44 119.67 99.01 0.46 0.53 98.21 0.65 0.37 0.23 0.10 0.00 0.13 0.31 29 R C C 158.37 2.78 20.30 23.69 101.25 167.09 -102.48 -15.45 99.39 0.31 0.30 88.99 9.36 1.03 0.12 0.13 0.00 0.11 0.27 30 R C S 132.30 2.44 21.27 23.55 131.68 42.06 -129.13 158.70 91.26 8.21 0.52 22.37 66.40 1.24 0.20 0.22 0.00 1.00 8.58 31 I C T 95.20 10.05 14.02 25.05 111.16 -87.37 -61.65 135.43 98.70 0.87 0.43 0.45 4.27 94.15 0.02 0.37 0.00 0.40 0.34 32 G C T 46.09 4.71 17.79 23.72 94.38 21.85 82.57 -3.02 99.68 0.20 0.11 0.71 3.54 95.43 0.00 0.15 0.00 0.15 0.02 33 H C C 80.06 7.79 17.23 26.48 117.92 128.66 -83.69 143.07 85.35 14.56 0.09 77.39 7.68 0.21 0.01 0.09 0.00 13.23 1.38 34 T E E 60.81 14.25 15.44 29.61 125.21 -151.31 -110.23 140.62 14.09 85.90 0.01 14.20 0.19 0.01 0.00 0.01 0.00 84.38 1.22 35 V E E 38.74 13.38 17.78 32.12 127.64 -171.27 -128.00 141.94 3.42 96.58 0.00 3.11 0.10 0.00 0.00 0.00 0.00 96.74 0.04 36 E E E 98.88 10.59 18.52 29.80 120.11 -148.94 -108.71 129.98 0.58 99.42 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.44 0.02 37 R E E 70.88 13.29 15.54 29.49 130.04 -177.29 -131.92 146.79 3.96 96.03 0.01 3.87 0.07 0.00 0.00 0.00 0.00 95.88 0.17 38 E E E 112.72 4.18 20.33 24.88 115.18 -104.29 -71.75 144.75 49.33 50.56 0.10 41.17 5.58 0.60 0.01 0.10 0.00 52.21 0.34 39 D C C 59.30 15.91 11.42 26.85 106.89 -108.01 -71.88 117.49 97.64 2.21 0.15 71.31 25.21 1.32 0.03 0.15 0.00 1.74 0.24 40 T C C 54.90 4.84 16.11 22.43 130.40 158.49 -129.43 162.50 99.43 0.22 0.35 85.86 13.38 0.18 0.34 0.03 0.00 0.06 0.15 41 P H H 110.90 1.49 14.84 16.48 90.99 -102.96 -59.47 -36.33 2.84 0.00 97.16 0.22 0.37 2.10 96.80 0.51 0.00 0.00 0.00 42 A H H 66.73 2.77 16.54 19.71 91.89 53.52 -64.45 -39.81 1.49 0.00 98.50 0.11 0.12 1.18 98.05 0.53 0.00 0.00 0.00 43 I H H 17.60 19.13 12.37 31.28 92.42 47.71 -65.89 -41.56 0.33 0.00 99.67 0.04 0.02 0.21 99.43 0.30 0.00 0.00 0.00 44 R H H 102.87 10.43 17.28 28.17 91.39 52.73 -61.98 -41.66 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 45 G H H 37.70 2.11 21.60 22.25 91.43 50.54 -63.42 -41.69 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.03 0.00 0.00 0.00 46 M H H 50.40 12.54 19.27 32.19 91.89 50.20 -65.14 -40.97 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 47 I H H 12.67 22.86 15.56 38.02 91.42 51.55 -63.17 -42.37 0.13 0.00 99.87 0.01 0.00 0.09 99.82 0.08 0.00 0.00 0.00 48 N H H 95.37 4.09 22.02 26.58 91.32 52.10 -63.62 -37.34 1.28 0.00 98.72 0.03 0.02 1.23 98.36 0.36 0.00 0.00 0.00 49 A H H 53.35 5.50 20.65 26.65 91.83 51.45 -66.81 -35.13 5.59 0.00 94.41 0.07 0.12 5.86 93.24 0.71 0.00 0.00 0.00 50 V H H 8.95 22.69 14.49 37.16 96.32 46.68 -90.76 -15.93 12.40 0.07 87.52 0.94 1.02 10.51 82.51 4.92 0.03 0.04 0.03 51 S H G 47.68 14.34 16.03 30.23 91.77 90.36 -59.78 -31.64 18.18 0.15 81.66 1.09 0.95 15.46 19.25 63.10 0.01 0.11 0.04 52 F H G 149.29 2.29 21.16 23.06 90.53 59.82 -72.35 -16.97 31.71 0.11 68.18 0.52 1.30 30.76 7.97 59.31 0.01 0.07 0.06 53 M H G 55.30 13.89 16.55 30.83 97.75 49.49 -100.18 -7.12 35.96 0.90 63.15 1.37 2.55 32.75 5.69 56.68 0.01 0.80 0.15 54 V E E 13.98 23.74 11.29 34.36 124.07 83.97 -108.63 140.66 7.59 92.31 0.09 6.34 1.31 0.10 0.04 0.05 0.00 91.47 0.69 55 K E E 111.59 4.50 23.49 28.58 123.51 -164.95 -118.03 136.70 1.75 98.24 0.01 1.53 0.09 0.01 0.00 0.00 0.00 98.30 0.06 56 V E E 53.26 17.72 11.41 28.24 120.12 -149.82 -109.31 129.71 4.56 95.41 0.02 4.12 0.29 0.04 0.01 0.01 0.00 95.25 0.29 57 E E E 107.42 4.47 14.37 20.53 122.42 -169.27 -113.18 141.73 26.41 73.55 0.04 26.12 0.31 0.06 0.01 0.02 0.00 73.02 0.47 58 E C C 141.59 3.20 14.08 19.15 110.74 -109.31 -75.31 133.47 98.99 1.01 0.00 99.08 0.05 0.01 0.00 0.00 0.00 0.85 0.01