# 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 146.23 2.61 11.67 15.80 115.99 -159.93 -99.91 136.10 99.89 0.10 0.01 99.83 0.08 0.02 0.00 0.00 0.00 0.05 0.01 1 S C C 84.05 2.69 9.12 13.58 114.86 -143.14 -93.91 135.65 92.95 4.12 2.93 88.15 1.45 4.01 0.96 1.26 0.00 2.48 1.70 2 Y C C 153.27 4.33 7.19 13.15 109.59 -164.75 -96.38 101.12 91.94 5.08 2.98 63.37 16.12 12.20 0.79 2.27 0.00 3.06 2.20 3 T C C 106.08 1.95 9.28 12.52 106.88 143.68 -93.25 27.68 92.68 4.87 2.45 60.52 24.99 7.07 0.74 1.73 0.00 2.57 2.38 4 T C C 91.94 3.03 8.34 13.27 117.34 95.59 -96.64 133.81 96.74 2.63 0.63 61.60 34.68 0.81 0.38 0.23 0.00 1.19 1.10 5 P C C 92.75 3.81 8.40 14.20 113.42 -108.77 -67.05 149.28 93.17 1.84 5.00 78.74 9.20 5.41 2.48 2.21 0.00 1.03 0.92 6 K C C 153.06 2.07 8.78 12.53 113.43 -117.44 -83.46 140.21 86.02 5.47 8.52 68.33 11.22 5.97 4.63 3.76 0.00 2.69 3.40 7 K C C 155.29 2.05 8.44 12.16 113.24 -114.96 -84.03 132.51 80.20 8.49 11.30 59.99 13.42 5.99 6.57 4.86 0.01 4.38 4.79 8 N C C 104.64 3.95 7.46 13.24 111.40 -142.91 -93.35 119.48 84.48 4.12 11.40 69.11 9.58 5.68 6.32 5.03 0.00 2.51 1.77 9 K C C 160.52 1.61 8.99 11.58 101.13 -165.23 -88.27 1.30 82.48 3.52 14.00 51.39 20.22 11.02 8.02 5.83 0.01 2.06 1.44 10 H C C 133.36 3.00 7.81 12.65 111.75 83.16 -93.91 116.15 83.54 4.51 11.94 54.53 19.34 9.66 6.73 5.15 0.01 2.76 1.83 11 K C C 147.84 2.25 8.56 12.50 113.79 -149.95 -93.01 134.92 84.73 5.12 10.15 66.58 11.64 6.25 6.08 4.05 0.00 3.39 2.01 12 R C C 163.22 3.03 7.71 12.70 114.68 -128.82 -89.26 135.47 86.09 5.55 8.36 66.29 12.78 6.65 5.00 3.43 0.00 3.83 2.01 13 K C C 145.12 2.47 8.95 13.17 116.14 -150.40 -95.34 139.98 87.31 6.38 6.31 63.90 16.90 6.25 3.83 2.60 0.00 4.78 1.74 14 K C C 157.71 1.95 9.36 12.85 112.67 -122.53 -89.94 130.23 83.69 11.41 4.90 64.43 14.56 4.08 3.41 1.82 0.00 8.48 3.22 15 V C C 85.98 6.08 7.99 15.85 119.57 -167.77 -107.86 136.32 82.40 13.82 3.78 71.49 8.54 1.83 2.98 1.10 0.00 10.91 3.15 16 K C C 157.40 1.75 12.34 15.05 113.17 -132.10 -88.66 130.66 80.32 15.04 4.64 70.02 7.37 2.31 3.55 1.35 0.00 12.56 2.84 17 L C C 89.48 8.52 9.01 18.71 118.92 -154.13 -98.31 139.56 73.48 18.40 8.12 63.56 6.84 2.55 5.64 2.70 0.00 14.93 3.77 18 A C C 63.19 4.99 13.32 19.72 113.90 -127.17 -81.53 134.41 71.02 19.75 9.24 62.08 5.97 2.64 5.75 3.67 0.01 15.66 4.22 19 V C C 78.42 9.00 11.04 21.07 114.58 -146.83 -95.46 131.56 43.52 18.03 38.45 33.78 6.48 5.37 9.72 27.53 0.02 14.74 2.37 20 L H G 102.81 5.25 13.94 20.40 100.52 -147.07 -87.09 -23.99 36.62 14.43 48.95 15.80 10.54 14.13 7.39 38.78 0.05 11.96 1.35 21 K H G 112.53 5.24 16.27 22.66 126.84 6.42 -131.46 138.92 37.79 14.80 47.41 17.22 9.25 14.13 5.80 39.29 0.02 13.41 0.87 22 Y C C 89.04 11.90 13.05 25.69 122.14 -159.86 -114.38 138.16 64.25 26.86 8.89 46.35 13.90 4.37 2.13 6.31 0.00 25.66 1.28 23 Y E E 75.75 10.75 13.17 25.30 129.18 -170.54 -121.21 152.38 15.50 84.39 0.12 14.12 1.24 0.13 0.04 0.07 0.00 83.67 0.73 24 K E E 117.79 4.46 16.50 22.47 125.17 -144.66 -117.13 146.67 1.87 98.12 0.01 1.83 0.10 0.01 0.00 0.00 0.00 97.96 0.09 25 V E E 71.45 9.70 9.33 20.22 117.35 -127.77 -99.08 132.97 2.73 97.25 0.01 2.75 0.08 0.00 0.01 0.00 0.00 94.33 2.83 26 D C C 62.46 4.13 10.28 16.45 124.58 -138.57 -87.69 173.53 97.10 2.88 0.02 97.46 0.21 0.05 0.00 0.01 0.00 1.94 0.33 27 E C T 176.02 0.40 9.13 9.13 90.41 -90.53 -63.33 -21.93 99.43 0.22 0.35 0.30 2.47 96.74 0.01 0.30 0.00 0.14 0.03 28 N C T 133.74 0.45 10.35 9.54 92.53 54.00 -88.04 1.02 99.59 0.06 0.35 0.15 2.40 97.10 0.00 0.31 0.00 0.03 0.01 29 G C S 42.79 5.21 9.48 16.65 95.58 -106.13 83.39 7.16 99.48 0.29 0.24 14.31 84.41 0.85 0.02 0.17 0.00 0.14 0.10 30 K C C 118.93 2.17 13.85 16.98 118.92 136.16 -84.54 143.94 95.38 4.61 0.02 94.61 1.56 0.04 0.00 0.01 0.00 3.00 0.77 31 I E E 72.97 12.63 9.47 22.50 115.42 -126.24 -92.21 130.18 1.08 98.92 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.06 0.79 32 S E E 54.37 4.79 16.81 22.91 126.99 -175.02 -125.46 150.19 1.11 98.89 0.00 1.07 0.05 0.00 0.00 0.00 0.00 98.82 0.05 33 R E E 121.66 10.11 12.87 23.85 111.82 -115.35 -82.94 126.13 9.19 90.79 0.03 8.68 0.58 0.07 0.00 0.02 0.00 89.97 0.68 34 L C C 76.15 7.97 15.25 24.63 101.52 -171.71 -89.86 -26.45 73.67 26.19 0.13 57.65 13.18 0.91 0.02 0.15 0.00 27.57 0.52 35 R C C 99.44 10.16 15.81 26.53 130.13 0.73 -138.90 144.35 72.08 27.81 0.11 58.55 11.32 0.73 0.02 0.13 0.00 28.38 0.87 36 R C C 113.98 10.40 17.13 28.15 121.82 -160.76 -107.95 137.41 54.57 45.35 0.08 51.75 2.37 0.20 0.02 0.06 0.00 44.42 1.19 37 E E E 87.12 9.60 18.69 28.92 125.89 -146.26 -112.20 148.24 14.23 85.70 0.07 12.59 0.72 0.03 0.07 0.02 0.00 51.28 35.29 38 C C C 18.96 17.99 10.47 28.49 112.95 -117.69 -81.76 131.35 76.84 23.13 0.03 75.94 1.58 0.08 0.01 0.02 0.00 20.24 2.13 39 P C S 95.20 3.22 18.14 22.04 93.55 -142.84 -74.76 -15.94 97.26 2.65 0.09 47.15 48.47 1.91 0.01 0.12 0.00 1.97 0.37 40 S C S 44.69 6.24 12.44 20.69 129.34 64.83 -113.75 158.38 95.63 3.63 0.74 12.74 77.92 4.67 0.15 0.45 0.00 1.18 2.88 41 E C T 164.76 1.12 13.64 15.15 91.34 -121.59 -65.19 -24.95 92.05 0.54 7.41 1.68 28.79 62.49 0.39 6.04 0.00 0.25 0.35 42 E C T 139.72 2.12 16.10 18.63 94.43 57.28 -80.45 -20.26 90.73 0.97 8.30 2.65 22.26 66.21 0.63 7.18 0.00 0.54 0.53 43 C C C 26.30 17.21 10.41 26.88 109.19 49.84 -101.38 14.96 81.22 10.61 8.17 30.89 25.20 23.56 1.59 6.28 0.09 3.41 8.99 44 G C C 24.51 7.08 17.93 26.27 127.67 -140.86 75.05 -170.85 92.18 5.91 1.91 73.20 11.38 6.88 0.41 1.67 0.00 2.62 3.84 45 A C T 74.45 5.21 18.61 24.61 108.77 -55.10 -64.27 135.36 96.48 2.01 1.51 2.55 8.78 85.16 0.13 1.44 0.00 1.22 0.72 46 G C T 34.26 8.38 19.81 28.79 95.00 25.51 81.04 -1.87 97.59 1.15 1.25 3.88 9.47 83.81 0.04 1.72 0.00 0.95 0.14 47 V C C 24.37 17.31 16.12 33.95 118.49 121.98 -85.50 137.49 70.33 29.33 0.34 64.47 5.13 0.32 0.05 0.30 0.00 27.92 1.82 48 F E E 55.94 12.62 23.53 36.28 127.86 -161.98 -118.55 146.04 9.32 90.66 0.02 8.81 0.42 0.03 0.01 0.01 0.00 88.28 2.43 49 M E E 37.21 18.79 18.91 37.14 119.75 -130.48 -97.67 137.63 5.82 94.17 0.01 5.72 0.14 0.01 0.00 0.00 0.00 93.98 0.16 50 A E E 21.12 13.26 19.47 33.69 133.13 -174.96 -131.19 155.65 1.94 98.05 0.01 1.83 0.08 0.01 0.00 0.00 0.00 98.02 0.07 51 S E E 58.11 9.73 16.21 26.88 119.88 -129.97 -104.33 132.96 3.38 96.60 0.02 2.92 0.34 0.04 0.00 0.01 0.00 96.40 0.29 52 H E E 79.30 9.02 12.04 22.65 122.59 172.53 -134.36 127.68 41.36 58.56 0.08 37.77 2.39 0.23 0.02 0.07 0.00 58.82 0.71 53 F C T 172.76 1.24 14.43 15.45 98.26 -36.73 52.31 -25.11 98.16 1.57 0.27 2.57 42.52 53.17 0.01 0.31 0.00 1.29 0.13 54 D C T 118.71 2.57 13.65 17.38 96.03 -26.86 -44.11 12.55 98.93 0.90 0.16 2.39 40.55 56.05 0.00 0.20 0.00 0.73 0.07 55 R E E 89.15 8.77 14.52 24.81 130.52 87.00 -122.84 151.55 30.62 69.34 0.04 24.05 4.85 0.34 0.00 0.03 0.00 70.41 0.32 56 H E E 52.07 14.25 16.36 31.44 120.69 -141.32 -109.59 133.86 2.13 97.87 0.00 1.88 0.08 0.00 0.00 0.00 0.00 98.00 0.04 57 Y E E 48.89 12.58 21.30 34.89 129.08 -172.84 -126.79 143.59 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.60 0.03 58 C E E 15.98 18.61 17.22 36.12 123.33 -158.06 -117.39 136.67 9.25 90.74 0.01 7.84 0.78 0.06 0.00 0.01 0.00 91.12 0.20 59 G C T 23.54 11.43 20.54 31.70 122.01 2.90 74.42 -152.60 89.18 9.01 1.80 4.20 27.74 57.24 0.06 1.97 0.00 8.21 0.59 60 K C T 127.55 5.40 20.11 26.25 94.19 -21.99 -72.19 -25.01 96.84 1.49 1.67 1.73 25.36 69.77 0.05 1.78 0.00 1.06 0.26 61 C C T 41.59 12.22 17.52 30.31 99.46 41.91 -98.98 -0.55 91.93 6.60 1.46 4.05 20.56 67.28 0.07 1.59 0.00 5.99 0.46 62 C E E 42.40 14.13 18.74 32.93 97.92 -125.42 71.00 31.29 36.00 63.29 0.71 23.83 7.46 5.07 0.23 0.59 0.01 59.37 3.44 63 L E E 44.75 12.37 20.62 33.78 116.29 155.52 -88.94 135.92 19.22 80.58 0.20 17.32 1.13 0.25 0.09 0.13 0.00 80.24 0.84 64 T E E 39.12 16.49 17.52 33.79 125.86 -164.32 -117.06 141.05 9.79 89.58 0.63 8.55 0.87 0.38 0.25 0.42 0.00 88.98 0.54 65 Y E E 78.71 11.78 19.56 31.84 126.35 -166.00 -121.52 139.98 9.48 89.43 1.10 7.93 1.11 0.67 0.42 0.74 0.00 88.37 0.76 66 C E E 56.72 10.85 15.40 27.16 122.08 -151.75 -113.41 135.69 18.31 80.85 0.84 15.62 1.89 0.85 0.33 0.60 0.00 79.35 1.36 67 F E E 93.56 9.29 11.90 22.49 118.81 -159.91 -109.09 133.00 44.65 55.03 0.32 42.32 0.89 0.63 0.12 0.17 0.00 53.31 2.55 68 N C C 121.39 2.56 14.76 18.31 106.58 -126.49 -83.81 96.11 99.46 0.53 0.01 99.41 0.11 0.03 0.00 0.00 0.00 0.43 0.01