# 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 K C C 146.05 3.01 11.03 15.75 113.36 -145.16 -89.12 127.18 99.93 0.06 0.01 99.89 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 K C C 146.29 2.64 9.28 13.78 115.59 -152.53 -96.47 132.92 90.60 5.87 3.53 86.54 1.42 3.22 1.20 1.67 0.00 3.49 2.45 2 S C C 80.61 2.87 8.89 13.53 114.67 -151.91 -97.87 134.11 87.32 7.36 5.33 64.59 12.70 9.36 1.18 4.55 0.00 4.91 2.71 3 Y C C 146.92 5.18 7.49 14.23 108.49 -160.48 -96.24 90.54 88.59 6.63 4.78 59.68 17.03 11.50 1.00 4.07 0.00 4.33 2.39 4 T C C 105.30 2.04 10.09 13.30 102.06 115.04 -91.95 2.11 90.68 5.94 3.38 57.92 25.45 7.28 0.91 2.46 0.00 3.26 2.72 5 T C C 87.59 3.32 8.79 13.99 116.97 94.58 -99.20 132.89 96.57 2.87 0.56 61.53 34.51 0.93 0.30 0.23 0.00 1.38 1.11 6 P C C 92.88 3.87 8.70 14.59 114.07 -109.80 -67.50 148.63 92.12 2.26 5.63 74.19 11.01 7.06 2.58 2.76 0.00 1.32 1.09 7 K C C 150.67 2.28 8.91 12.90 113.40 -122.51 -87.14 140.79 83.79 6.42 9.79 61.04 14.37 7.79 5.12 4.63 0.00 3.35 3.69 8 K C C 155.37 1.98 8.88 12.46 113.19 -114.07 -86.02 132.71 77.59 8.66 13.75 53.15 16.52 7.46 7.63 6.19 0.02 4.83 4.21 9 N C C 101.25 4.29 7.64 13.77 110.81 -141.67 -92.31 117.42 82.43 4.55 13.02 65.57 10.44 6.33 7.03 5.95 0.00 2.93 1.76 10 K C C 158.98 1.73 9.25 11.96 100.83 -168.53 -88.01 -0.61 79.41 4.68 15.91 50.18 18.46 10.91 9.11 6.69 0.01 3.01 1.63 11 H C C 132.23 3.10 8.07 13.03 112.44 88.15 -93.34 120.44 79.09 6.85 14.06 51.63 17.64 9.82 7.90 6.06 0.02 4.63 2.30 12 K C C 144.98 2.43 8.79 12.98 113.99 -147.63 -92.64 136.17 80.74 7.93 11.32 63.07 11.39 6.02 7.02 4.28 0.01 5.72 2.50 13 R C C 162.96 3.10 7.93 13.00 114.65 -130.21 -89.89 134.57 83.02 7.83 9.16 63.43 12.86 6.32 5.69 3.54 0.01 5.81 2.36 14 K C C 142.85 2.66 9.06 13.48 117.10 -138.83 -94.82 139.74 84.98 8.24 6.78 63.65 15.07 5.97 4.17 2.71 0.00 6.46 1.97 15 K C C 157.03 2.09 9.39 13.13 112.76 -121.09 -87.99 129.32 82.29 12.72 4.99 64.59 13.22 3.87 3.44 1.86 0.00 9.83 3.19 16 V C C 86.30 5.97 8.27 16.03 120.30 -166.63 -109.06 136.74 80.23 15.75 4.02 69.67 8.17 1.80 3.20 1.16 0.00 12.59 3.39 17 K C C 156.92 1.81 12.28 15.12 113.63 -129.95 -88.50 130.87 78.46 16.82 4.72 68.88 6.70 2.23 3.62 1.38 0.00 14.03 3.15 18 L C C 87.84 8.73 8.82 18.70 118.38 -149.26 -97.56 137.65 74.53 17.22 8.25 65.40 6.32 2.36 5.86 2.57 0.00 14.08 3.41 19 A C C 65.02 4.59 13.54 19.45 112.08 -130.06 -81.36 132.99 71.67 18.21 10.12 62.44 6.21 2.72 6.51 3.82 0.01 14.29 4.00 20 V H G 78.25 9.01 10.95 20.93 114.02 -144.28 -93.84 131.15 40.11 15.08 44.81 30.05 6.62 5.83 10.78 32.50 0.01 12.41 1.79 21 L H G 103.11 5.14 13.88 20.26 100.55 -150.81 -87.03 -21.24 33.15 12.66 54.19 14.67 9.26 12.84 8.55 42.75 0.05 10.71 1.18 22 K H G 112.08 5.37 16.14 22.67 126.88 8.47 -131.15 139.55 33.98 13.09 52.93 15.53 8.27 12.90 6.87 43.71 0.02 11.87 0.84 23 Y C C 91.07 11.73 12.90 25.40 122.57 -160.33 -113.60 138.64 66.41 25.64 7.95 48.23 14.53 4.00 2.13 5.53 0.01 24.16 1.41 24 Y E E 77.95 10.55 13.00 24.95 128.90 -169.36 -120.16 151.93 17.43 82.44 0.13 15.96 1.27 0.12 0.06 0.07 0.00 81.45 1.06 25 K E E 119.44 4.41 16.23 22.19 124.59 -142.77 -114.80 144.68 2.79 97.20 0.01 2.79 0.12 0.01 0.00 0.00 0.00 96.94 0.12 26 V E E 70.62 9.74 9.20 20.12 118.88 -131.36 -100.96 134.07 2.68 97.31 0.01 2.75 0.07 0.00 0.01 0.00 0.00 92.88 4.28 27 D C C 63.55 3.94 10.41 16.32 124.43 -136.08 -85.86 173.47 97.00 2.98 0.02 97.42 0.19 0.04 0.00 0.01 0.00 1.98 0.36 28 E C T 175.29 0.44 9.10 9.29 90.47 -90.21 -63.41 -21.72 99.55 0.17 0.27 0.26 2.24 97.13 0.01 0.23 0.00 0.11 0.02 29 N C T 133.40 0.46 10.41 9.62 92.72 53.78 -88.40 1.39 99.66 0.05 0.29 0.14 2.22 97.37 0.00 0.24 0.00 0.02 0.01 30 G C S 42.53 5.34 9.45 16.72 95.76 -106.54 83.82 7.16 99.52 0.28 0.20 15.20 83.71 0.71 0.02 0.14 0.00 0.14 0.10 31 K C C 120.23 2.14 13.94 17.00 119.09 135.47 -85.36 144.26 95.38 4.59 0.02 94.47 1.73 0.05 0.01 0.01 0.00 2.69 1.04 32 I E E 72.13 12.65 9.32 22.35 113.98 -123.37 -87.77 129.30 1.31 98.69 0.00 1.36 0.03 0.00 0.00 0.00 0.00 96.15 2.45 33 S E E 55.15 4.89 16.51 22.68 126.40 -174.99 -123.53 151.40 3.15 96.80 0.04 2.83 0.32 0.06 0.01 0.04 0.00 96.57 0.17 34 R E E 125.65 9.41 13.55 23.78 110.45 -103.20 -81.42 124.91 12.53 87.38 0.09 11.05 1.45 0.26 0.01 0.09 0.00 86.39 0.76 35 L C C 74.73 8.81 14.81 24.89 103.19 -171.60 -92.04 -21.34 68.84 30.97 0.20 54.99 10.98 1.02 0.02 0.21 0.00 32.16 0.62 36 R C C 101.23 10.56 16.19 27.07 127.15 -4.58 -129.90 135.89 71.52 28.34 0.13 59.83 8.97 0.79 0.02 0.14 0.00 29.15 1.11 37 R C C 108.55 10.87 17.59 28.86 122.26 -161.37 -107.47 139.36 55.07 44.85 0.08 51.57 2.80 0.24 0.02 0.06 0.00 44.25 1.07 38 E E E 86.75 10.21 18.83 29.52 124.98 -144.59 -111.37 147.94 13.33 86.60 0.07 11.98 0.64 0.03 0.07 0.01 0.00 50.33 36.93 39 C C C 17.58 18.51 10.60 29.12 112.66 -115.86 -81.15 132.78 77.76 22.21 0.03 76.94 1.50 0.10 0.01 0.03 0.00 19.26 2.17 40 P C S 95.68 3.22 18.41 22.27 93.63 -142.23 -72.73 -14.87 97.19 2.70 0.11 43.51 51.15 2.77 0.01 0.15 0.00 2.02 0.40 41 S C S 45.20 6.40 12.31 20.72 128.07 66.21 -116.06 158.45 95.78 3.44 0.78 10.67 78.44 6.65 0.13 0.51 0.00 1.35 2.25 42 D C T 130.90 1.09 13.76 15.16 91.44 -121.04 -66.37 -21.68 94.70 0.57 4.73 1.97 34.00 59.24 0.25 3.96 0.00 0.28 0.32 43 E C T 136.67 2.45 16.07 19.10 94.76 57.78 -83.95 -18.08 92.92 1.30 5.78 3.76 27.66 61.78 0.50 4.93 0.00 0.71 0.65 44 C C C 25.84 17.46 10.40 27.09 112.50 48.33 -105.91 39.63 81.69 13.25 5.06 36.99 25.24 17.86 1.21 3.65 0.06 3.89 11.09 45 G C C 24.63 7.08 18.13 26.41 127.61 -139.91 72.40 -166.46 92.14 5.97 1.89 74.30 10.72 6.35 0.38 1.73 0.00 2.66 3.86 46 A C T 73.63 5.50 18.70 24.97 108.32 -54.73 -64.14 131.56 96.30 1.98 1.72 2.50 9.03 84.72 0.13 1.73 0.00 1.22 0.67 47 G C T 33.77 8.64 20.00 29.17 94.79 31.61 78.84 -2.09 97.03 1.18 1.79 4.09 9.71 82.65 0.05 2.36 0.00 0.98 0.15 48 V C C 23.20 17.67 16.35 34.49 118.75 119.82 -85.31 138.24 70.29 29.36 0.35 64.81 4.79 0.31 0.06 0.31 0.00 27.77 1.96 49 F E E 49.96 13.34 23.71 37.13 127.79 -163.28 -120.54 146.51 11.19 88.79 0.02 10.50 0.54 0.04 0.01 0.01 0.00 86.42 2.48 50 M E E 36.25 18.63 19.73 37.82 119.71 -130.85 -99.23 138.39 6.31 93.68 0.00 6.23 0.13 0.01 0.00 0.00 0.00 93.42 0.21 51 A E E 17.94 14.48 19.40 34.68 131.28 -173.67 -127.28 153.79 2.03 97.97 0.00 1.94 0.07 0.01 0.00 0.00 0.00 97.89 0.08 52 S E E 55.58 10.00 17.03 27.84 119.71 -129.23 -105.57 132.33 3.38 96.61 0.01 2.93 0.33 0.03 0.00 0.01 0.00 96.40 0.30 53 H E E 74.73 9.82 12.30 23.57 124.23 172.88 -133.77 128.88 37.73 62.19 0.08 34.08 2.55 0.25 0.02 0.07 0.00 62.30 0.74 54 F C T 168.57 1.51 14.77 16.27 98.10 -34.16 52.42 22.06 98.36 1.40 0.24 2.24 40.37 55.84 0.01 0.28 0.00 1.15 0.12 55 D C T 118.37 2.68 13.77 17.60 96.05 -30.23 -34.12 13.17 98.89 0.95 0.15 2.07 38.44 58.46 0.00 0.19 0.00 0.78 0.07 56 R E E 92.54 8.38 14.55 24.50 130.73 89.47 -121.74 151.14 28.08 71.90 0.03 22.99 3.57 0.21 0.00 0.03 0.00 72.87 0.33 57 H E E 58.90 13.80 16.06 30.62 120.42 -145.44 -110.86 132.91 2.21 97.79 0.00 1.97 0.08 0.00 0.00 0.00 0.00 97.90 0.05 58 Y E E 53.80 12.13 20.76 33.94 129.25 -173.19 -127.73 143.82 0.79 99.21 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.22 0.06 59 C E E 20.30 17.58 16.66 34.64 121.71 -156.82 -115.59 134.97 14.59 85.38 0.02 12.44 1.34 0.11 0.00 0.02 0.00 85.80 0.29 60 G C T 25.93 10.47 19.88 30.30 121.74 0.57 79.40 -153.26 88.49 8.18 3.33 4.88 27.51 56.22 0.13 3.44 0.00 7.08 0.74 61 K C T 132.57 4.71 19.89 25.42 94.11 -28.43 -71.76 -24.92 93.98 2.54 3.48 2.53 23.97 67.52 0.15 3.49 0.00 1.85 0.48 62 C C T 43.13 12.34 16.88 29.74 100.94 44.17 -98.84 -2.07 88.53 8.38 3.09 6.22 18.78 63.61 0.30 3.04 0.01 7.17 0.88 63 C E E 41.39 14.85 17.80 32.33 104.04 -134.53 63.40 71.69 41.66 56.94 1.40 27.63 9.91 4.94 0.57 1.05 0.02 52.34 3.54 64 L E E 52.90 11.59 20.94 33.08 115.83 148.69 -98.72 132.95 26.89 72.08 1.03 22.93 2.44 0.83 0.58 0.54 0.00 71.51 1.17 65 T E E 37.53 17.09 16.75 33.52 126.79 -170.08 -120.32 140.94 15.30 83.03 1.68 12.84 1.61 0.78 1.05 0.83 0.00 82.14 0.75 66 Y E E 85.28 11.21 19.97 31.68 124.74 -164.20 -121.02 138.30 10.37 87.94 1.69 8.61 1.12 0.74 1.06 0.86 0.00 86.55 1.07 67 C E E 48.27 12.25 15.29 28.35 121.88 -152.41 -111.94 133.12 16.75 82.01 1.24 13.88 1.84 0.85 0.81 0.67 0.00 80.20 1.75 68 F E E 94.59 9.12 12.71 23.07 113.24 -162.06 -101.61 127.08 41.67 57.17 1.16 32.85 6.33 2.39 0.52 0.75 0.01 54.65 2.51 69 N C C 109.12 3.59 11.74 16.93 110.78 -133.58 -95.68 114.69 74.33 25.04 0.62 67.48 3.21 2.07 0.23 0.33 0.00 25.27 1.40 70 K C C 145.65 3.72 12.19 17.52 106.08 -129.67 -80.72 89.12 99.70 0.29 0.01 99.58 0.13 0.05 0.00 0.00 0.00 0.22 0.01