# 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 127.55 3.26 9.83 14.82 115.51 -154.22 -93.23 135.36 99.83 0.12 0.05 99.71 0.13 0.06 0.02 0.00 0.00 0.05 0.03 1 A C C 81.56 2.63 7.97 12.32 111.30 -121.00 -79.47 139.26 83.68 1.62 14.70 78.26 1.30 6.84 5.40 6.53 0.00 0.89 0.77 2 S C C 90.29 1.60 7.83 10.82 108.38 -127.13 -82.52 113.48 76.31 2.40 21.30 39.15 17.07 20.61 7.03 13.76 0.01 1.21 1.17 3 H C C 153.26 1.50 8.20 10.97 109.37 -120.17 -91.75 107.37 71.46 3.45 25.09 39.90 15.56 16.28 11.41 13.41 0.02 1.79 1.63 4 K C C 116.67 4.72 7.82 14.48 115.97 91.53 -92.37 135.35 80.06 3.37 16.57 57.33 18.46 4.16 13.10 3.71 0.00 1.45 1.78 5 T C C 73.85 2.72 10.38 14.45 117.75 -133.86 -82.49 159.76 81.89 3.87 14.24 72.97 6.34 1.83 14.11 1.21 0.00 1.42 2.12 6 F H H 152.26 1.52 10.31 12.66 92.91 -110.58 -60.46 -37.75 3.42 0.03 96.55 1.41 0.68 1.20 96.36 0.34 0.00 0.01 0.01 7 R H H 153.78 1.22 11.99 13.14 92.23 51.97 -64.82 -40.21 1.69 0.01 98.29 0.47 0.21 0.89 98.07 0.34 0.00 0.01 0.00 8 I H H 83.97 2.91 11.71 16.01 92.24 48.08 -66.21 -41.16 0.77 0.01 99.22 0.21 0.08 0.40 99.01 0.29 0.00 0.00 0.00 9 K H H 110.83 2.66 13.03 16.68 91.89 50.75 -64.39 -40.77 0.42 0.00 99.57 0.11 0.04 0.21 99.50 0.14 0.00 0.00 0.00 10 R H H 138.43 1.48 14.56 15.55 91.81 49.87 -64.80 -40.97 0.54 0.00 99.46 0.09 0.04 0.33 99.45 0.10 0.00 0.00 0.00 11 F H H 107.96 2.19 14.13 16.65 92.03 49.88 -64.41 -42.15 0.49 0.00 99.50 0.08 0.04 0.29 99.51 0.09 0.00 0.00 0.00 12 L H H 82.28 2.87 13.76 17.58 92.05 50.03 -64.29 -41.18 0.47 0.00 99.53 0.08 0.03 0.27 99.49 0.12 0.00 0.00 0.00 13 A H H 55.44 2.08 13.93 16.43 91.56 50.77 -63.90 -40.93 0.85 0.00 99.15 0.11 0.05 0.56 99.08 0.18 0.00 0.00 0.00 14 K H H 121.01 1.54 14.46 15.57 92.31 50.10 -65.35 -40.02 1.39 0.00 98.61 0.17 0.09 0.97 98.46 0.30 0.00 0.00 0.00 15 K H H 112.61 2.35 13.25 16.26 92.52 51.01 -65.43 -39.83 2.25 0.01 97.74 0.30 0.17 1.56 97.12 0.83 0.00 0.00 0.00 16 Q H H 107.69 2.12 12.75 15.54 92.25 51.52 -65.34 -37.75 6.36 0.03 93.62 0.77 0.50 4.69 92.21 1.79 0.01 0.01 0.01 17 K H H 135.31 1.75 12.30 14.52 92.65 53.02 -69.02 -29.55 18.31 0.13 81.56 2.83 1.67 13.44 78.73 3.17 0.03 0.06 0.07 18 Q H H 122.35 2.22 11.08 14.41 93.89 60.44 -73.09 -21.54 44.66 0.40 54.94 6.28 4.95 32.99 51.97 3.34 0.06 0.16 0.25 19 N C T 118.45 1.90 10.79 13.60 99.03 53.19 -92.49 3.52 72.43 0.71 26.86 17.47 10.35 44.40 23.52 3.53 0.02 0.28 0.43 20 R C C 143.75 2.83 9.50 14.32 117.02 110.98 -93.84 136.18 97.66 1.95 0.39 53.11 43.92 0.96 0.22 0.14 0.00 0.80 0.86 21 P C C 108.02 1.74 11.10 14.10 114.36 -105.24 -68.27 146.46 93.53 6.05 0.43 87.04 5.55 0.65 0.24 0.14 0.00 2.05 4.32 22 I C C 101.42 6.07 7.46 15.39 115.48 -111.19 -82.60 139.07 95.86 2.83 1.30 82.90 11.94 1.00 1.03 0.32 0.00 1.31 1.51 23 P C C 78.35 3.70 10.49 15.88 112.01 -105.10 -64.85 141.74 92.74 2.20 5.06 87.11 3.57 2.39 3.80 1.04 0.00 1.30 0.78 24 Q H H 137.98 2.03 10.31 13.83 94.33 -136.56 -66.15 -27.97 42.34 7.27 50.39 16.44 15.35 12.92 36.49 11.30 0.26 5.99 1.26 25 W H H 177.00 2.09 10.73 13.72 95.16 66.53 -73.95 -24.16 22.62 24.34 53.04 10.23 5.66 9.00 38.03 12.86 0.48 22.36 1.37 26 I H H 89.14 5.05 9.29 16.07 99.00 61.05 -80.27 -22.05 11.40 33.84 54.76 6.96 2.36 3.49 40.48 11.19 0.12 34.53 0.89 27 Q E E 104.90 4.59 10.13 16.30 103.35 62.61 -84.37 -2.19 11.54 47.59 40.87 7.27 2.09 3.04 32.54 7.00 0.07 47.04 0.95 28 M E E 111.08 3.47 9.91 14.99 112.18 60.18 -97.22 126.51 13.88 67.76 18.37 9.28 2.21 2.74 17.03 3.39 0.03 64.07 1.25 29 K E E 133.14 3.45 8.33 13.75 115.64 -149.65 -98.49 130.05 18.42 76.36 5.21 13.43 3.12 2.31 4.54 1.49 0.01 73.64 1.46 30 T E E 94.83 2.40 8.10 12.01 114.19 -173.65 -121.27 110.77 30.14 64.53 5.32 13.87 8.35 10.88 3.43 2.29 0.04 58.35 2.77 31 G C T 66.07 0.45 10.66 9.86 105.23 -49.46 62.44 -112.94 97.35 0.75 1.90 5.27 15.50 76.87 0.46 1.17 0.00 0.53 0.19 32 N C T 140.51 0.82 9.13 10.12 99.38 -17.27 -94.88 8.18 97.91 0.92 1.17 6.04 19.58 72.44 0.16 0.92 0.00 0.71 0.15 33 K E E 138.57 1.65 10.11 13.10 121.13 93.19 -107.40 142.09 23.08 76.62 0.30 17.37 5.74 1.05 0.11 0.21 0.00 72.90 2.63 34 I E E 98.89 6.13 7.69 15.72 115.07 -135.74 -94.68 128.14 16.04 83.84 0.13 14.97 0.85 0.15 0.07 0.06 0.00 81.94 1.96 35 M E E 108.18 3.41 12.17 17.24 121.25 -171.52 -114.19 139.19 34.83 64.87 0.29 30.78 2.98 0.43 0.15 0.13 0.00 64.55 0.97 36 Y C C 130.96 6.31 9.62 17.75 120.80 -143.02 -110.00 137.72 52.62 46.04 1.34 45.47 5.49 1.02 0.97 0.56 0.00 43.57 2.93 37 N C C 70.92 5.41 10.40 17.93 114.26 -156.85 -109.56 119.51 90.35 7.50 2.15 85.12 4.29 1.07 1.41 0.71 0.00 6.27 1.13 38 S C T 79.93 3.35 9.97 15.15 93.70 -153.05 -67.92 -20.09 59.83 1.29 38.89 15.58 11.02 32.68 18.99 20.34 0.04 0.70 0.65 39 K C T 157.72 1.06 11.73 12.82 93.15 65.43 -74.39 -18.77 57.42 1.17 41.41 12.02 11.33 33.35 21.95 19.97 0.09 0.56 0.74 40 R C C 133.66 4.30 9.26 15.29 99.83 65.48 -86.96 5.56 53.78 1.67 44.55 28.57 12.66 12.77 24.96 19.34 0.03 0.80 0.88 41 R C C 133.67 5.08 9.60 16.42 106.88 97.65 -77.95 99.01 55.53 1.49 42.97 36.63 9.83 9.56 33.21 9.31 0.01 0.72 0.73 42 H C C 125.44 2.89 10.76 14.99 106.76 58.34 -91.07 68.67 54.22 1.77 44.02 36.78 7.75 10.34 33.09 10.30 0.01 0.92 0.81 43 W H H 150.59 4.17 9.03 14.99 101.28 69.32 -79.37 -19.14 45.86 1.51 52.63 24.73 8.45 13.77 37.61 13.96 0.03 0.79 0.67 44 R H H 150.99 2.62 9.69 13.82 102.91 61.75 -81.32 -11.00 44.14 1.49 54.37 22.56 8.53 14.21 40.77 12.46 0.04 0.78 0.65 45 R H H 154.39 2.81 9.16 13.47 101.61 61.56 -77.89 -24.72 44.80 1.42 53.79 23.00 10.56 12.30 41.37 11.41 0.05 0.68 0.65 46 T H H 92.92 2.67 8.49 12.65 103.09 71.72 -84.22 -19.17 46.94 1.32 51.74 24.66 9.56 13.34 38.93 12.22 0.04 0.65 0.61 47 K C H 156.53 1.43 8.75 11.22 98.59 60.90 -77.16 -12.94 52.28 1.65 46.07 22.96 11.07 19.21 32.33 12.75 0.05 0.82 0.81 48 L C T 118.22 2.63 7.78 11.93 100.52 63.97 -83.05 -3.01 64.68 1.76 33.57 20.76 12.66 32.14 21.94 10.68 0.05 0.86 0.92 49 G C C 59.26 1.49 10.42 12.79 99.65 -106.76 74.78 9.96 90.01 1.02 8.97 55.17 3.64 32.47 5.20 2.46 0.00 0.57 0.50 50 L C C 101.34 5.36 9.69 16.65 104.29 126.32 -83.04 19.91 99.82 0.13 0.04 99.64 0.15 0.10 0.02 0.01 0.00 0.07 0.02