# 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 121.46 4.53 13.25 19.42 114.05 -148.97 -89.09 134.37 98.99 0.96 0.05 98.94 0.24 0.09 0.02 0.01 0.00 0.54 0.16 1 A C C 64.55 7.26 9.24 17.96 116.05 -128.22 -83.71 144.19 92.24 6.89 0.87 88.88 2.34 1.06 0.46 0.28 0.00 2.85 4.13 2 D C C 79.47 5.13 10.55 17.58 110.81 -119.69 -92.31 121.98 97.91 1.36 0.73 85.17 11.82 0.86 0.39 0.29 0.00 0.55 0.92 3 P H G 92.72 4.29 10.50 16.90 92.61 -142.49 -61.76 -24.64 44.31 0.54 55.15 9.41 5.51 28.17 8.87 47.50 0.01 0.31 0.24 4 K H G 144.92 1.98 13.12 15.87 92.25 66.39 -70.16 -21.74 41.91 0.54 57.55 4.48 4.95 31.26 10.60 48.13 0.01 0.31 0.26 5 Y H G 84.51 9.71 9.49 20.38 98.56 46.46 -101.35 1.36 33.76 2.00 64.24 9.74 6.36 19.08 10.16 52.69 0.02 1.26 0.69 6 A C T 61.20 7.04 10.61 19.39 93.42 98.04 -64.59 -24.84 68.37 1.43 30.20 11.16 7.02 49.57 10.22 20.31 0.03 0.79 0.90 7 D C T 125.61 0.80 14.18 13.92 96.60 51.52 -94.14 10.30 78.28 0.74 20.97 11.55 8.53 57.54 3.71 17.79 0.01 0.41 0.46 8 L C C 65.85 9.35 7.06 17.62 113.39 118.95 -80.65 129.04 98.32 1.00 0.68 62.11 35.37 0.75 0.34 0.25 0.00 0.25 0.93 9 P C T 108.96 1.48 12.88 14.68 109.68 -113.46 -64.60 139.07 90.40 0.77 8.83 7.92 7.03 75.57 2.25 6.30 0.00 0.42 0.50 10 G C T 55.78 2.22 12.42 15.56 98.01 14.98 81.34 -1.92 88.52 1.25 10.23 7.55 7.51 73.54 2.98 7.02 0.01 0.81 0.58 11 I C C 75.33 9.45 9.01 19.32 110.33 120.32 -85.70 115.85 70.44 10.37 19.19 39.91 12.41 18.06 6.81 12.01 0.12 5.20 5.48 12 A C C 62.26 5.58 10.55 17.66 107.76 39.23 -88.78 96.93 74.34 9.16 16.50 47.75 8.73 17.80 5.81 10.38 0.02 5.31 4.20 13 R C T 163.07 2.81 10.77 15.12 103.13 86.62 -82.91 -9.39 81.81 5.62 12.57 21.94 18.19 42.32 3.68 8.22 0.06 3.06 2.53 14 N C T 133.48 1.24 11.81 13.16 99.89 27.88 -90.96 17.22 91.31 2.09 6.60 21.60 28.66 41.27 1.23 5.24 0.00 1.14 0.85 15 E C C 119.52 3.51 9.37 14.92 120.06 118.98 -94.30 144.64 97.63 2.18 0.18 55.15 42.23 0.58 0.06 0.10 0.00 0.97 0.92 16 P C C 99.02 3.12 10.57 15.52 113.90 -101.51 -66.00 146.81 95.36 3.15 1.49 84.69 6.26 4.27 0.29 1.28 0.00 1.86 1.35 17 D C C 103.05 4.31 9.33 15.65 114.03 -132.76 -93.24 130.51 87.23 10.17 2.60 63.56 16.43 6.88 0.53 2.50 0.00 6.45 3.66 18 V C C 106.11 3.73 9.88 15.45 117.67 -163.98 -106.35 131.59 69.70 26.80 3.50 43.17 21.66 6.13 0.98 2.72 0.04 19.62 5.68 19 Y C C 141.62 4.84 9.62 16.38 117.61 -156.62 -104.40 131.83 59.15 38.00 2.85 45.89 9.54 3.17 1.19 1.99 0.02 30.27 7.94 20 E C C 132.09 3.03 11.15 16.06 116.60 -153.62 -97.68 136.35 69.06 29.06 1.89 62.17 4.19 1.46 0.76 1.19 0.00 24.19 6.04 21 T C C 75.41 7.23 7.68 16.23 114.54 -161.20 -101.78 126.49 86.96 9.52 3.52 76.72 5.98 3.79 0.78 2.98 0.00 6.74 3.02 22 S C T 96.94 0.98 11.42 12.44 97.58 128.09 -75.65 -16.21 94.62 2.54 2.84 17.49 24.77 52.37 0.31 2.69 0.00 1.67 0.70 23 D C T 125.24 0.91 11.00 11.72 98.26 54.98 -89.87 7.82 96.43 1.55 2.03 20.50 25.73 50.12 0.18 2.08 0.00 0.96 0.43 24 L C S 61.08 10.04 5.54 15.92 119.20 103.15 -90.91 140.38 97.85 1.94 0.21 45.83 52.01 0.33 0.09 0.08 0.00 0.61 1.05 25 P C C 78.52 1.96 11.98 14.59 115.20 -106.87 -64.49 150.41 98.55 0.88 0.57 97.42 1.03 0.32 0.32 0.10 0.00 0.30 0.51 26 E H H 156.78 1.20 9.67 11.95 92.12 -110.22 -58.37 -36.26 18.79 0.17 81.04 3.55 2.49 10.99 54.68 28.09 0.02 0.10 0.07 27 D H H 123.37 0.55 11.60 10.93 93.22 55.82 -69.33 -27.98 17.54 0.17 82.29 2.33 1.87 11.38 57.01 27.19 0.04 0.10 0.07 28 D H H 72.91 4.69 9.98 16.37 96.91 51.57 -83.83 -12.64 14.86 0.32 84.81 5.07 2.05 6.78 55.61 30.18 0.01 0.21 0.08 29 Q H H 89.43 5.52 10.64 17.96 93.44 80.89 -63.32 -39.92 5.64 0.08 94.27 3.32 0.96 1.81 91.45 2.39 0.00 0.04 0.02 30 A H H 68.06 1.45 14.41 15.20 92.38 53.07 -64.82 -40.40 2.76 0.03 97.21 1.16 0.34 1.28 95.63 1.56 0.00 0.02 0.01 31 E H H 116.45 1.73 14.84 16.28 92.30 49.85 -65.93 -39.77 2.01 0.03 97.96 0.76 0.24 1.02 96.51 1.45 0.00 0.02 0.01 32 F H H 79.30 7.16 11.86 20.71 92.38 51.38 -64.93 -41.18 1.14 0.02 98.84 0.41 0.13 0.56 98.27 0.62 0.00 0.01 0.00 33 D H H 85.53 2.53 15.54 18.44 91.86 51.50 -64.10 -40.62 0.88 0.01 99.11 0.25 0.08 0.46 98.86 0.33 0.00 0.00 0.00 34 A H H 59.75 1.70 15.32 16.57 91.84 51.03 -64.05 -40.37 1.23 0.01 98.76 0.23 0.10 0.79 98.42 0.45 0.00 0.01 0.00 35 L H H 75.91 4.75 13.66 19.87 92.54 50.12 -65.82 -39.82 1.91 0.02 98.06 0.39 0.17 1.25 97.61 0.56 0.00 0.01 0.00 36 Q H H 86.44 5.57 13.13 20.15 92.12 52.31 -64.61 -40.02 2.56 0.03 97.41 0.76 0.26 1.47 96.57 0.90 0.00 0.02 0.01 37 E H H 124.75 1.40 14.98 15.75 92.16 51.49 -65.40 -37.85 4.91 0.06 95.04 1.13 0.48 3.21 93.71 1.41 0.01 0.03 0.02 38 E H H 116.21 2.30 13.51 16.41 92.68 50.97 -68.53 -34.35 10.34 0.10 89.56 1.97 1.07 7.12 87.96 1.75 0.02 0.05 0.05 39 L H H 85.05 6.65 10.48 18.62 93.97 57.10 -72.86 -23.91 24.19 0.35 75.46 5.91 3.11 15.01 73.84 1.78 0.05 0.15 0.18 40 T C H 104.11 1.86 12.82 15.10 97.57 51.50 -90.73 -4.04 53.50 1.48 45.03 17.05 8.54 27.89 43.07 2.10 0.06 0.61 0.69 41 S C C 63.56 4.15 8.88 15.06 116.53 99.34 -85.21 145.68 84.70 4.13 11.17 53.12 19.62 11.66 9.21 2.54 0.01 2.10 1.74 42 T C C 118.95 1.27 10.47 12.39 101.34 -154.23 -90.61 0.80 82.87 6.44 10.69 38.15 29.12 16.54 5.92 4.35 0.03 4.31 1.58 43 S C C 82.52 1.87 10.15 13.32 116.10 85.59 -97.84 134.04 71.57 17.85 10.58 39.73 19.74 13.09 4.76 5.34 0.07 15.19 2.08 44 V C C 95.74 5.68 7.48 14.92 118.27 -149.18 -106.86 132.98 55.56 32.53 11.91 40.50 9.56 5.67 5.16 6.00 0.06 31.25 1.81 45 E E E 131.31 2.86 10.21 14.77 117.66 -158.46 -104.73 131.79 41.89 47.02 11.10 31.86 6.33 4.16 4.71 5.09 0.03 46.71 1.11 46 H E E 136.89 3.35 9.81 15.26 117.86 -150.25 -104.91 131.04 32.98 58.17 8.84 26.48 4.38 2.77 3.85 3.78 0.01 57.72 1.02 47 I E E 104.83 4.93 8.53 15.54 117.23 -159.05 -105.52 127.01 32.06 63.55 4.40 27.97 2.57 1.36 2.51 1.54 0.00 62.78 1.27 48 I E E 121.66 2.63 10.38 14.87 114.50 -151.91 -99.40 125.04 37.97 60.29 1.74 35.90 0.99 0.77 1.17 0.52 0.00 58.64 2.02 49 V C C 87.78 6.85 10.54 18.98 113.61 -164.60 -99.45 123.20 96.53 3.43 0.04 96.37 0.17 0.06 0.02 0.01 0.00 3.30 0.07