# 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 113.42 6.02 16.21 23.10 106.83 48.22 -87.81 76.70 99.94 0.06 0.00 99.89 0.06 0.01 0.00 0.00 0.00 0.03 0.00 1 A C C 37.00 11.98 13.81 26.61 119.30 -135.82 -91.47 144.00 73.68 26.27 0.04 72.62 0.67 0.15 0.01 0.03 0.00 26.11 0.43 2 E E E 87.94 8.84 20.06 29.36 122.91 -152.80 -112.73 138.41 14.93 85.04 0.03 12.80 1.38 0.09 0.00 0.02 0.00 85.48 0.21 3 L E E 10.77 23.05 15.37 38.50 122.76 -158.26 -115.81 135.46 1.19 98.81 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.83 0.02 4 K E E 71.43 9.59 26.46 36.43 120.06 -157.27 -110.03 131.56 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 5 I E E 3.73 26.15 17.36 44.52 121.06 -162.96 -115.19 129.64 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 6 T E E 36.55 9.38 26.49 36.74 121.74 -167.62 -117.84 133.05 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 7 L E E 21.12 21.71 14.92 36.59 110.95 -124.17 -78.06 126.84 4.34 95.65 0.01 4.27 0.15 0.01 0.00 0.00 0.00 95.45 0.12 8 K C E 102.45 6.63 21.16 28.41 100.48 178.26 -95.07 -27.38 61.30 37.45 1.25 28.92 29.84 2.74 0.24 0.79 0.00 36.76 0.72 9 R C S 115.36 5.11 20.50 26.29 135.02 11.32 -144.05 155.61 79.09 17.45 3.45 16.02 57.40 6.18 0.69 2.12 0.02 16.21 1.35 10 S C C 61.57 9.06 17.54 27.10 114.53 -97.20 -74.81 143.82 89.85 6.50 3.65 76.17 10.17 3.17 0.74 3.14 0.00 5.59 1.02 11 V C C 36.93 17.14 12.64 29.58 100.27 -151.87 -96.02 5.07 87.35 7.21 5.44 76.72 5.73 4.24 1.27 4.38 0.00 4.08 3.58 12 I C T 104.97 6.50 14.05 22.50 111.96 124.41 -67.91 132.02 93.34 4.21 2.46 18.89 15.04 59.42 0.48 2.01 0.00 2.55 1.61 13 G C T 65.51 0.69 16.70 15.50 95.33 16.49 81.44 0.11 98.08 0.72 1.20 12.69 21.81 63.47 0.14 1.22 0.00 0.47 0.21 14 R C S 68.59 14.82 7.88 22.19 122.92 122.33 -90.17 149.44 99.09 0.76 0.14 36.85 62.05 0.31 0.07 0.05 0.00 0.20 0.48 15 P C C 72.19 3.16 16.41 20.11 115.11 -99.79 -64.10 150.69 99.36 0.35 0.29 97.26 1.92 0.24 0.21 0.04 0.00 0.10 0.24 16 Q H H 132.81 2.93 13.27 18.09 91.38 -109.67 -57.18 -39.15 4.06 0.01 95.93 0.58 0.56 2.61 95.11 1.14 0.00 0.00 0.00 17 N H H 106.42 2.37 17.49 20.15 91.61 53.70 -64.14 -37.51 3.55 0.01 96.44 0.45 0.30 2.56 95.22 1.45 0.01 0.01 0.00 18 Q H H 33.90 16.10 14.99 31.12 92.28 49.84 -66.43 -40.26 1.60 0.03 98.37 0.61 0.18 0.77 97.37 1.04 0.00 0.02 0.00 19 R H H 77.44 14.30 16.86 30.90 91.45 52.36 -62.49 -42.21 0.37 0.00 99.62 0.12 0.04 0.14 99.60 0.09 0.00 0.00 0.00 20 A H H 57.06 2.62 23.82 25.15 91.43 50.39 -64.12 -41.60 0.25 0.00 99.75 0.06 0.01 0.12 99.76 0.05 0.00 0.00 0.00 21 T H H 24.99 12.52 20.52 33.89 91.92 50.30 -64.28 -43.10 0.23 0.00 99.77 0.04 0.01 0.13 99.77 0.05 0.00 0.00 0.00 22 V H H 2.94 25.60 15.69 41.67 91.27 49.82 -63.31 -43.21 0.28 0.00 99.72 0.04 0.02 0.16 99.61 0.17 0.00 0.00 0.00 23 K H H 120.97 6.04 21.79 28.95 91.39 50.60 -62.58 -40.86 0.69 0.00 99.30 0.05 0.03 0.53 98.90 0.50 0.00 0.00 0.00 24 A H H 67.80 4.18 21.64 26.23 90.63 54.99 -64.93 -30.04 5.10 0.00 94.90 0.08 0.10 5.23 94.05 0.54 0.00 0.00 0.00 25 L C T 23.59 19.23 15.78 35.17 92.25 53.31 -83.71 -7.53 67.79 0.03 32.18 0.25 0.92 66.84 31.00 0.95 0.00 0.01 0.03 26 G C T 38.53 4.79 24.11 29.82 96.77 -110.83 84.78 17.45 99.50 0.01 0.49 1.96 1.08 96.60 0.29 0.06 0.00 0.00 0.00 27 L C C 11.57 23.92 10.47 33.74 109.21 148.14 -83.26 112.82 98.74 0.47 0.80 96.39 1.34 1.19 0.34 0.23 0.00 0.15 0.37 28 G C C 47.65 4.10 20.39 25.28 101.36 153.32 -100.55 -15.30 99.10 0.41 0.49 78.69 16.89 3.44 0.13 0.35 0.00 0.15 0.35 29 K C S 119.20 2.47 20.99 23.27 130.57 44.52 -124.59 158.20 92.30 6.71 0.99 18.70 69.49 2.80 0.27 0.50 0.00 0.74 7.50 30 V C T 83.22 9.74 14.45 25.12 111.58 -87.55 -63.18 137.59 98.42 0.73 0.85 0.82 9.12 88.53 0.04 0.80 0.00 0.40 0.28 31 N C T 108.78 4.59 17.52 23.51 92.46 14.00 67.39 20.83 99.31 0.40 0.29 2.03 8.01 89.18 0.01 0.40 0.00 0.31 0.06 32 S C C 43.72 7.79 17.02 26.28 122.28 131.54 -94.49 148.25 79.32 20.52 0.16 65.98 13.02 0.42 0.03 0.17 0.00 18.47 1.91 33 T E E 62.64 13.95 15.58 29.50 126.38 -150.34 -115.63 143.90 14.36 85.62 0.01 14.27 0.27 0.01 0.00 0.01 0.00 84.60 0.84 34 V E E 37.95 13.42 17.99 32.39 126.17 -166.26 -125.23 138.88 2.92 97.08 0.00 2.65 0.12 0.00 0.00 0.00 0.00 97.16 0.06 35 T E E 67.90 11.60 18.41 30.38 119.24 -152.69 -109.43 127.82 1.15 98.85 0.00 1.06 0.03 0.00 0.00 0.00 0.00 98.85 0.06 36 K E E 67.11 11.57 16.55 29.12 130.32 173.16 -132.37 146.21 10.23 89.77 0.00 9.75 0.22 0.01 0.00 0.00 0.00 89.76 0.26 37 P E E 80.85 4.00 21.10 25.07 115.98 -101.08 -65.40 149.12 43.30 56.47 0.24 34.92 6.49 0.97 0.03 0.23 0.00 56.83 0.53 38 A C C 37.03 18.08 10.62 27.89 108.61 -106.96 -68.88 127.96 97.87 1.53 0.61 73.66 22.04 2.26 0.12 0.56 0.00 1.04 0.33 39 N C C 67.81 3.95 18.11 22.86 133.43 158.99 -133.80 172.27 98.84 0.30 0.86 84.43 13.94 0.44 0.77 0.12 0.00 0.08 0.22 40 E H H 154.10 1.29 15.27 16.54 91.02 -93.44 -60.28 -36.47 2.68 0.00 97.31 0.22 0.47 1.82 97.13 0.35 0.00 0.00 0.00 41 A H H 62.93 3.46 17.01 21.06 92.08 53.52 -64.66 -40.45 1.51 0.00 98.49 0.13 0.15 1.17 98.19 0.35 0.00 0.00 0.00 42 I H H 13.72 20.66 12.63 32.97 92.32 47.66 -66.54 -41.42 0.39 0.00 99.61 0.06 0.04 0.25 99.41 0.25 0.00 0.00 0.00 43 K H H 86.90 11.35 17.76 29.31 91.40 52.86 -61.88 -41.69 0.11 0.00 99.89 0.01 0.01 0.06 99.87 0.05 0.00 0.00 0.00 44 G H H 36.63 2.17 22.18 22.88 91.39 50.60 -62.95 -41.67 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 45 M H H 44.98 13.05 19.50 32.89 91.96 50.34 -65.47 -41.02 0.23 0.00 99.77 0.02 0.01 0.15 99.74 0.08 0.00 0.00 0.00 46 V H H 7.00 24.27 14.77 38.90 91.43 51.58 -63.65 -41.72 0.35 0.00 99.65 0.02 0.02 0.26 99.46 0.25 0.00 0.00 0.00 47 N H H 97.98 4.40 21.39 26.54 91.21 53.09 -64.69 -34.73 3.17 0.00 96.83 0.09 0.08 3.12 95.75 0.96 0.00 0.00 0.00 48 T H H 75.04 4.95 20.50 25.73 92.26 51.99 -70.22 -30.88 10.53 0.01 89.47 0.12 0.24 11.04 87.57 1.01 0.01 0.00 0.00 49 I H H 10.68 22.07 13.55 35.93 99.02 41.80 -101.30 -3.36 27.61 0.22 72.17 1.76 3.02 22.97 69.60 2.32 0.12 0.07 0.14 50 S H G 49.45 14.40 14.84 29.20 91.48 104.35 -59.60 -31.77 34.31 0.28 65.41 1.65 1.47 31.09 4.20 61.33 0.00 0.19 0.08 51 H H G 144.83 1.89 20.84 22.31 90.54 61.19 -72.73 -15.52 41.54 0.10 58.35 0.40 1.41 39.94 1.50 56.65 0.00 0.06 0.03 52 L H G 48.96 14.43 16.18 30.83 98.36 47.38 -99.96 -9.03 41.95 0.74 57.31 1.16 2.80 37.25 1.15 56.95 0.00 0.61 0.08 53 V E E 10.78 23.91 11.08 34.56 129.73 61.17 -124.12 147.31 8.95 90.94 0.11 6.67 2.52 0.19 0.03 0.06 0.00 90.02 0.51 54 D E E 82.05 4.11 24.48 28.56 118.49 -150.79 -106.58 132.64 1.37 98.62 0.01 1.18 0.07 0.01 0.00 0.00 0.00 98.71 0.03 55 V E E 42.81 20.73 11.27 30.71 122.90 -161.07 -117.46 132.87 1.57 98.43 0.01 1.43 0.06 0.01 0.00 0.00 0.00 98.43 0.06 56 E E E 105.94 3.85 18.10 23.11 124.75 -173.02 -123.41 144.22 5.51 94.47 0.01 4.98 0.31 0.03 0.00 0.01 0.00 94.56 0.11 57 E E E 123.94 5.97 12.81 20.82 113.39 -116.79 -79.51 132.22 16.85 83.12 0.03 16.58 0.34 0.04 0.01 0.01 0.00 82.50 0.52 58 V C C 72.87 9.42 11.98 22.35 114.54 -156.79 -98.70 126.62 99.60 0.40 0.00 99.66 0.04 0.01 0.00 0.00 0.00 0.28 0.01