# 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 A C C 56.22 10.37 15.15 25.99 120.33 -168.72 -104.34 148.54 99.92 0.08 0.00 99.88 0.05 0.02 0.00 0.00 0.00 0.04 0.00 1 D C C 97.01 5.03 16.62 22.89 110.58 -146.83 -94.88 109.98 88.54 10.23 1.23 84.22 1.28 3.07 0.34 0.60 0.00 8.76 1.74 2 C C C 52.67 13.49 12.89 26.46 118.99 -160.57 -101.54 137.77 72.84 24.93 2.23 52.49 12.60 7.06 0.56 1.83 0.00 22.83 2.62 3 A C C 31.74 13.65 15.64 29.91 117.24 -145.47 -94.96 138.94 58.10 40.04 1.86 43.55 9.62 4.51 0.49 1.47 0.00 37.94 2.42 4 K E E 116.87 7.47 19.22 27.81 122.11 -155.61 -110.80 139.12 44.42 54.24 1.34 29.26 11.95 4.82 0.31 1.05 0.01 50.88 1.73 5 G E E 21.00 10.69 18.38 29.89 138.99 98.81 163.92 -171.34 31.49 68.09 0.42 18.55 11.07 2.70 0.06 0.34 0.00 66.79 0.49 6 K E E 104.24 6.49 22.43 29.60 123.09 -74.94 -110.19 139.27 14.69 85.12 0.19 12.41 1.74 0.29 0.05 0.10 0.00 85.07 0.34 7 I E E 22.18 22.43 13.77 36.11 120.88 -157.44 -112.83 130.33 4.17 95.78 0.05 3.85 0.23 0.04 0.02 0.02 0.00 95.67 0.16 8 E E E 83.30 7.44 23.86 31.93 124.98 -170.62 -122.22 139.03 2.24 97.72 0.04 1.96 0.15 0.03 0.01 0.01 0.00 97.73 0.10 9 F E E 51.76 19.29 14.90 33.48 127.84 -164.74 -121.17 141.01 8.67 91.18 0.15 7.45 0.84 0.15 0.04 0.07 0.00 91.17 0.28 10 S E E 43.84 8.20 19.62 28.84 129.33 -173.53 -129.24 148.54 38.79 60.63 0.58 30.69 6.62 1.27 0.13 0.41 0.00 60.04 0.84 11 K C C 99.42 9.94 15.14 25.74 115.16 -127.59 -90.38 129.28 65.99 32.15 1.87 37.72 21.97 7.45 0.36 1.51 0.01 29.42 1.57 12 Y C S 118.46 8.34 14.03 23.34 100.17 -163.99 -84.69 -27.53 82.18 14.84 2.98 26.97 35.40 20.79 0.42 2.65 0.01 11.64 2.11 13 N C C 78.08 4.65 14.08 19.98 130.26 14.60 -136.59 159.58 87.60 9.17 3.23 36.98 31.76 19.46 0.50 3.02 0.00 5.72 2.54 14 E C T 150.43 2.24 12.85 16.10 95.76 -98.47 -65.83 -21.48 94.77 1.81 3.43 6.38 20.07 68.04 0.27 3.45 0.00 1.20 0.59 15 D C T 111.05 2.38 14.31 17.28 97.85 46.12 -88.93 11.44 96.15 1.78 2.08 8.21 20.62 67.06 0.14 2.30 0.00 1.34 0.34 16 D C C 52.10 11.61 12.70 25.17 113.01 94.78 -100.08 113.29 78.47 19.92 1.61 48.53 23.50 6.66 0.20 1.87 0.00 16.81 2.41 17 T C C 52.56 10.49 17.03 28.54 125.49 155.11 -117.73 141.19 54.06 45.82 0.12 47.90 4.00 0.47 0.02 0.12 0.00 46.70 0.79 18 F E E 27.39 17.71 16.48 34.66 129.33 -169.37 -128.57 144.74 9.29 90.70 0.01 8.08 0.80 0.07 0.00 0.01 0.00 90.82 0.23 19 T E E 56.48 9.80 22.26 32.63 124.91 -157.44 -121.79 136.46 1.42 98.58 0.00 1.32 0.03 0.00 0.00 0.00 0.00 98.63 0.01 20 V E E 13.37 19.95 15.41 35.85 127.31 -171.89 -126.23 140.64 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 21 K E E 106.36 5.75 21.27 27.84 118.06 -147.43 -106.01 129.99 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 22 V E E 20.49 19.30 10.50 29.40 121.15 175.28 -131.22 122.96 2.31 97.68 0.01 1.47 0.43 0.12 0.00 0.01 0.00 97.87 0.10 23 D C T 111.77 3.27 14.77 19.44 93.47 -16.07 52.76 43.01 99.79 0.16 0.05 0.09 2.00 97.76 0.00 0.04 0.00 0.10 0.01 24 G C T 65.38 0.81 14.67 14.60 94.54 -49.19 79.70 2.41 99.91 0.06 0.03 0.14 2.21 97.58 0.00 0.03 0.00 0.04 0.00 25 K E E 94.66 7.25 13.21 22.35 126.63 104.53 -112.16 145.86 2.35 97.64 0.00 1.66 0.41 0.02 0.00 0.00 0.00 97.78 0.12 26 E E E 96.65 7.97 17.69 26.82 114.71 -129.82 -90.93 128.44 0.68 99.32 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.01 27 Y E E 25.54 19.51 16.00 35.70 124.92 -172.10 -121.69 138.05 0.93 99.07 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.15 0.01 28 W E E 81.36 11.38 23.30 35.09 121.15 -154.95 -110.09 134.58 3.32 96.67 0.02 2.79 0.28 0.04 0.00 0.01 0.00 96.77 0.10 29 T E E 15.65 20.06 16.80 36.64 132.76 -172.36 -132.32 153.59 21.62 78.15 0.22 16.97 4.28 0.57 0.05 0.15 0.00 77.39 0.58 30 S C C 36.67 8.79 20.73 30.30 121.73 -129.66 -97.51 152.68 71.80 26.51 1.69 48.21 20.89 2.63 0.56 1.07 0.00 25.36 1.28 31 R H G 115.56 12.10 15.55 27.60 92.77 -111.78 -63.34 -26.92 47.17 3.40 49.43 12.03 13.14 22.91 17.82 30.56 0.20 2.19 1.15 32 W H G 167.69 3.17 18.51 21.95 93.09 60.08 -71.25 -26.98 38.65 2.03 59.32 7.24 7.71 23.05 20.34 39.50 0.13 1.33 0.72 33 N H G 66.02 10.19 17.55 28.18 98.64 48.29 -85.84 -15.62 35.56 3.71 60.73 11.38 7.60 17.42 20.10 39.84 0.14 2.41 1.10 34 L H H 14.31 22.91 13.46 35.46 94.62 63.31 -78.96 -20.27 37.99 4.85 57.16 18.80 8.12 11.73 35.16 21.51 0.20 2.84 1.63 35 Q H H 82.09 10.09 18.67 29.22 92.05 75.87 -60.80 -43.35 17.26 1.30 81.45 8.10 3.63 6.31 67.20 13.45 0.05 0.98 0.28 36 P H H 72.31 3.96 21.95 25.75 92.22 51.18 -65.40 -38.76 11.13 1.62 87.25 4.15 1.53 5.25 72.02 15.19 0.06 1.59 0.21 37 L H H 30.44 16.94 18.29 34.91 92.57 50.26 -66.66 -39.87 7.70 2.10 90.20 2.62 1.13 4.01 75.04 14.76 0.06 2.19 0.19 38 L H H 20.19 21.10 16.75 37.01 93.02 49.94 -68.23 -37.52 14.18 4.99 80.82 6.15 2.63 6.34 69.84 9.53 0.19 4.61 0.72 39 Q H H 102.17 5.28 20.81 26.59 92.79 56.43 -66.11 -35.99 31.56 5.60 62.83 9.39 5.41 17.08 54.45 7.42 0.43 4.73 1.07 40 S H H 55.86 6.34 19.66 26.55 94.30 53.12 -72.08 -27.53 44.53 3.91 51.56 12.42 7.04 24.99 43.91 7.49 0.25 2.92 0.98 41 A C H 21.94 18.44 13.92 31.72 96.11 62.79 -72.77 -23.41 47.71 6.97 45.32 23.72 8.99 15.91 36.09 8.47 0.17 4.88 1.78 42 Q C C 100.34 9.00 18.23 27.52 97.77 67.96 -78.91 -6.75 55.12 8.23 36.65 29.42 9.18 17.05 27.85 8.56 0.14 5.60 2.19 43 L C C 86.14 7.80 15.93 24.75 104.43 89.30 -83.88 53.91 62.01 8.29 29.70 28.73 19.27 15.32 21.45 7.33 0.24 4.58 3.08 44 T C T 85.30 6.14 15.63 23.01 107.84 -62.23 -72.07 119.64 84.59 2.92 12.49 6.73 8.99 67.76 8.88 4.30 0.09 1.80 1.45 45 G C T 48.15 4.24 18.32 23.31 97.91 -8.84 85.47 -1.40 94.94 2.10 2.96 9.41 11.11 74.48 1.44 1.43 0.00 1.79 0.34 46 M C C 44.89 15.77 13.73 29.75 122.00 129.18 -95.95 146.03 76.95 22.59 0.46 62.70 11.22 1.35 0.13 0.33 0.00 23.40 0.86 47 T E E 63.94 7.53 23.49 31.38 118.64 -133.81 -99.48 133.65 15.56 84.38 0.06 14.32 0.88 0.11 0.02 0.04 0.00 84.15 0.49 48 V E E 7.99 24.73 15.05 40.14 126.03 -168.51 -121.33 138.47 1.47 98.53 0.00 1.36 0.05 0.00 0.00 0.00 0.00 98.56 0.03 49 T E E 45.02 8.73 26.74 36.39 120.87 -159.94 -113.98 130.90 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 50 I E E 9.20 24.60 17.10 42.14 119.07 -160.98 -110.88 127.00 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 51 K E E 85.24 8.26 25.27 33.89 121.20 -167.33 -113.83 131.79 3.29 96.69 0.02 2.90 0.20 0.02 0.00 0.01 0.00 96.78 0.08 52 S E E 16.01 20.02 14.03 33.49 131.89 175.10 -131.65 152.99 29.95 69.40 0.65 26.26 2.92 0.53 0.19 0.40 0.00 69.06 0.65 53 S C S 71.09 4.89 20.34 25.73 97.78 -147.34 -84.55 -18.82 66.87 24.70 8.43 16.66 34.03 17.48 2.15 5.16 0.09 22.83 1.60 54 T C S 70.85 6.52 18.68 25.65 112.31 40.40 -103.15 104.79 63.64 22.61 13.75 20.36 25.47 19.98 4.92 7.61 0.54 17.33 3.78 55 C C C 37.60 16.57 10.47 26.07 115.21 86.49 -94.82 132.42 58.80 22.55 18.65 35.46 14.24 10.44 7.68 10.64 0.23 15.46 5.85 56 E C T 134.80 3.25 15.76 19.87 101.85 -153.55 -81.92 -7.57 63.88 14.40 21.71 14.82 18.37 32.34 6.96 12.94 0.72 8.64 5.22 57 S C T 85.16 2.67 15.03 18.13 101.36 30.81 -88.88 33.18 80.81 2.18 17.02 7.49 18.35 55.06 4.02 12.48 0.05 1.30 1.25 58 G C T 46.88 5.70 14.71 21.47 99.73 -57.65 84.57 1.27 83.85 4.38 11.77 13.90 27.91 42.99 2.26 8.66 0.03 2.53 1.72 59 S C C 51.31 8.67 16.18 25.79 114.57 114.08 -94.43 143.00 79.53 16.91 3.55 37.82 24.00 18.80 0.73 2.88 0.01 12.08 3.69 60 G C C 23.43 11.63 17.79 29.86 119.54 -131.28 128.97 -171.58 65.89 32.33 1.79 33.20 25.27 9.14 0.35 1.60 0.01 27.54 2.89 61 F E E 76.68 13.68 19.57 32.97 129.81 -85.17 -123.84 147.43 42.68 56.59 0.72 33.91 6.68 1.90 0.19 0.61 0.00 54.41 2.29 62 A E E 21.14 17.27 18.53 35.63 130.10 -171.34 -129.56 149.19 23.52 76.17 0.31 18.94 3.95 0.75 0.07 0.21 0.00 75.39 0.67 63 E E E 77.36 11.38 23.18 34.45 125.45 -144.98 -115.63 140.07 9.20 90.68 0.12 7.61 1.38 0.24 0.03 0.07 0.00 90.42 0.25 64 V E E 15.82 21.56 16.97 38.33 124.71 -165.88 -120.43 136.74 4.36 95.60 0.03 4.02 0.26 0.03 0.01 0.01 0.00 95.57 0.10 65 Q E E 77.55 8.03 24.44 32.89 118.28 -158.53 -111.45 127.40 2.12 97.85 0.02 1.96 0.10 0.02 0.01 0.01 0.00 97.80 0.11 66 F E E 25.45 21.09 13.81 34.58 119.03 -157.44 -105.78 130.53 7.19 92.73 0.08 6.53 0.47 0.08 0.03 0.03 0.00 92.30 0.55 67 N E E 77.33 6.77 18.89 26.47 110.27 -161.01 -101.46 107.16 46.52 53.22 0.26 34.55 9.88 1.70 0.05 0.24 0.00 52.61 0.96 68 N C C 79.24 9.99 11.80 22.50 112.92 -157.48 -97.36 115.63 81.27 18.34 0.38 69.48 7.06 2.78 0.07 0.37 0.00 18.84 1.40 69 D C C 105.14 3.48 15.03 19.85 104.34 -132.19 -86.17 48.67 99.82 0.16 0.01 99.62 0.17 0.08 0.00 0.00 0.00 0.11 0.01