# 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 119.20 4.44 10.37 16.62 118.31 -138.79 -93.50 139.66 99.93 0.06 0.01 99.76 0.19 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 98.17 3.19 9.40 14.49 114.31 -107.37 -68.60 148.78 99.30 0.56 0.14 98.72 0.27 0.53 0.04 0.03 0.00 0.23 0.18 2 K C C 157.55 1.95 8.53 12.22 114.44 -118.73 -86.22 137.24 92.58 6.94 0.48 86.41 5.05 1.02 0.18 0.26 0.00 3.01 4.08 3 I C C 124.77 3.93 7.82 13.65 113.80 -130.68 -87.37 130.04 88.35 11.02 0.63 82.03 5.42 0.86 0.26 0.33 0.00 6.79 4.30 4 K C C 145.42 2.45 10.77 14.70 119.36 -151.88 -103.90 141.15 87.72 11.29 0.99 78.68 7.55 1.21 0.53 0.46 0.00 6.74 4.83 5 T C C 85.19 6.65 9.40 17.69 118.62 -128.53 -93.34 139.44 87.72 10.28 2.00 77.01 8.84 1.47 1.41 0.70 0.00 5.64 4.93 6 V C C 77.82 6.88 10.94 19.30 111.12 -129.78 -90.43 118.83 90.67 5.12 4.21 83.54 5.62 1.42 3.79 0.72 0.00 2.62 2.28 7 R H H 166.63 2.53 13.12 16.96 95.54 -151.87 -66.92 -32.52 29.15 0.98 69.87 16.42 6.12 8.45 57.81 10.24 0.04 0.51 0.41 8 G H H 40.95 2.89 14.40 18.03 93.44 55.83 -64.79 -37.35 21.19 0.43 78.38 5.88 3.68 11.45 62.42 16.06 0.08 0.25 0.18 9 A H H 30.28 11.51 11.56 24.22 93.41 52.51 -68.59 -33.10 12.16 0.33 87.51 3.83 1.89 6.05 67.30 20.58 0.04 0.21 0.10 10 A H H 43.16 11.21 12.32 24.40 91.99 64.21 -63.34 -33.22 10.65 0.35 89.00 3.13 1.59 5.43 65.51 23.95 0.06 0.23 0.10 11 K H H 149.93 1.65 17.86 19.15 92.15 59.04 -72.48 -19.72 27.70 0.62 71.68 4.06 3.19 18.15 49.56 24.32 0.11 0.38 0.24 12 R H H 117.12 7.36 15.68 23.92 95.90 54.69 -88.70 -11.90 48.50 1.36 50.14 6.65 7.61 32.03 34.83 17.19 0.19 0.85 0.64 13 F C E 54.08 17.37 10.37 27.07 120.77 74.48 -105.73 138.36 48.67 43.55 7.78 32.99 11.56 4.96 5.79 2.89 0.11 35.65 6.06 14 K E E 118.66 3.73 18.18 23.04 126.11 -172.96 -119.84 146.12 26.12 73.37 0.51 23.63 1.84 0.38 0.40 0.18 0.00 72.37 1.21 15 K E E 127.74 6.61 11.63 20.14 115.39 -117.52 -84.83 133.58 7.43 92.44 0.13 6.79 0.34 0.04 0.17 0.03 0.00 66.23 26.40 16 T C C 53.46 6.92 8.83 17.67 122.91 -141.95 -89.79 171.75 89.16 10.73 0.11 89.39 0.63 0.12 0.03 0.04 0.00 8.48 1.31 17 G C T 68.74 0.46 10.36 10.12 91.64 -94.48 -63.66 -22.82 96.93 1.54 1.53 1.71 9.73 85.47 0.07 1.60 0.00 1.18 0.22 18 K C T 167.54 0.65 10.64 10.64 94.98 55.21 -90.01 2.98 98.11 0.21 1.67 0.68 7.23 90.01 0.05 1.84 0.00 0.12 0.06 19 G C S 45.44 3.46 11.80 16.75 102.32 -98.38 91.68 3.41 97.93 0.47 1.60 8.01 78.04 12.01 0.10 1.40 0.00 0.29 0.15 20 G C C 27.70 6.42 12.22 20.37 126.55 121.76 -94.87 169.65 89.12 10.72 0.16 77.90 10.73 0.64 0.06 0.11 0.00 8.94 1.62 21 F E E 80.39 11.47 11.67 24.28 125.25 -105.82 -116.86 145.15 3.69 96.28 0.03 3.55 0.19 0.02 0.03 0.01 0.00 87.81 8.39 22 K E E 102.50 6.89 15.84 24.14 123.99 -157.00 -118.14 141.61 13.21 86.67 0.12 12.72 0.52 0.07 0.11 0.03 0.00 85.94 0.62 23 H E E 92.82 10.72 12.33 23.98 123.18 -154.06 -112.43 139.12 36.70 62.76 0.54 33.84 2.00 0.27 0.40 0.19 0.00 60.72 2.58 24 K C C 117.10 5.70 13.55 20.93 119.10 -140.44 -96.41 143.02 76.38 21.79 1.84 69.60 5.27 1.11 1.13 0.71 0.00 19.87 2.31 25 H C C 106.91 7.29 10.90 19.59 114.85 -115.40 -82.02 138.20 87.59 4.36 8.05 81.32 4.21 2.49 4.35 3.26 0.00 2.92 1.46 26 A C T 71.86 4.19 11.19 17.02 107.58 -126.15 -73.05 113.00 67.19 1.01 31.80 14.93 12.92 38.80 12.52 19.60 0.03 0.51 0.70 27 N C T 110.77 2.80 11.81 15.71 99.68 44.24 -73.85 23.95 66.31 0.79 32.91 17.70 11.16 37.22 14.27 18.63 0.03 0.36 0.62 28 L C C 80.83 7.85 9.05 18.26 98.61 122.07 -78.48 -13.03 50.18 1.01 48.80 33.56 8.24 8.50 29.30 19.39 0.01 0.47 0.54 29 R H H 159.06 2.68 11.37 15.43 99.22 83.76 -72.94 -21.05 40.54 1.00 58.46 22.30 7.29 11.26 38.26 19.90 0.03 0.50 0.45 30 H H H 129.61 2.20 11.66 14.58 95.71 62.86 -73.10 -25.97 37.78 1.02 61.21 12.66 7.95 17.34 39.42 21.44 0.18 0.53 0.48 31 I H H 88.44 4.99 10.72 17.30 99.58 51.97 -83.81 -19.05 39.89 1.46 58.65 16.37 8.68 16.07 39.84 17.37 0.18 0.73 0.76 32 L H H 77.37 8.35 9.35 18.87 96.07 77.51 -74.24 -17.77 42.77 1.65 55.59 24.84 7.65 10.57 34.84 20.47 0.03 0.79 0.81 33 T C H 99.27 2.40 11.48 15.00 94.01 74.26 -73.10 -18.41 52.55 1.04 46.41 16.07 10.08 26.01 27.55 19.16 0.06 0.49 0.59 34 K C T 164.91 0.83 12.31 12.48 96.30 55.15 -89.44 -2.42 60.18 0.97 38.85 17.70 13.01 29.65 21.49 17.00 0.05 0.42 0.68 35 K C C 77.99 9.56 6.62 16.98 120.68 97.02 -87.94 147.74 87.47 1.05 11.48 47.38 36.51 3.38 10.16 1.44 0.00 0.26 0.87 36 A C C 62.49 1.78 12.58 14.65 116.90 -106.13 -68.78 155.24 91.71 0.56 7.73 88.30 2.09 1.33 7.17 0.57 0.00 0.17 0.38 37 T H H 100.51 2.54 9.76 13.98 92.00 -109.32 -60.03 -37.22 13.64 0.13 86.23 5.59 3.48 5.33 82.74 2.73 0.01 0.05 0.06 38 K H H 150.26 0.78 12.45 12.32 92.06 53.84 -65.26 -38.48 9.69 0.09 90.22 2.08 1.75 5.77 87.20 3.10 0.02 0.04 0.04 39 R H H 120.78 2.89 11.66 15.80 92.77 48.25 -67.47 -38.44 7.47 0.12 92.41 2.39 1.19 4.04 88.48 3.77 0.02 0.07 0.04 40 K H H 87.44 7.50 10.42 19.43 92.14 53.10 -64.21 -40.18 4.98 0.09 94.93 1.76 0.73 2.51 89.61 5.31 0.01 0.05 0.03 41 R H H 152.95 2.14 13.35 16.25 92.07 52.63 -66.26 -34.44 8.43 0.07 91.50 0.99 0.68 6.12 80.26 11.85 0.03 0.04 0.03 42 H H H 139.16 1.61 13.92 15.55 92.94 53.82 -73.19 -22.67 19.52 0.07 80.42 1.17 1.27 16.37 71.03 10.02 0.05 0.03 0.04 43 L H H 81.83 7.62 11.20 20.22 96.90 55.13 -87.88 -6.93 40.66 0.52 58.83 8.06 7.53 26.16 50.69 6.84 0.13 0.19 0.41 44 R C C 114.03 8.47 10.99 20.87 115.95 100.85 -82.83 137.81 97.60 1.47 0.93 50.59 45.43 1.74 0.58 0.32 0.00 0.58 0.76 45 P C C 84.30 4.10 14.06 19.45 115.37 -107.41 -69.54 152.60 96.34 2.49 1.17 77.50 16.03 2.87 0.37 0.77 0.00 2.05 0.41 46 K C C 144.60 4.48 12.82 19.34 114.28 -102.69 -76.79 137.96 81.51 17.12 1.38 68.59 10.41 2.18 0.38 1.09 0.00 16.10 1.26 47 A E E 49.11 8.74 12.85 23.08 132.17 -169.05 -134.00 154.79 31.37 67.59 1.03 26.99 3.58 0.79 0.50 0.61 0.00 63.52 4.02 48 M E E 116.65 4.86 17.02 23.11 118.04 -124.64 -97.36 135.27 20.82 78.78 0.40 18.79 1.61 0.25 0.28 0.19 0.00 73.56 5.31 49 V E C 31.11 17.86 9.21 26.24 121.14 -155.12 -104.91 141.37 49.64 50.04 0.32 48.27 1.81 0.15 0.22 0.13 0.00 46.48 2.93 50 S C C 54.39 3.63 16.65 20.76 120.81 -121.02 -78.76 164.89 88.73 10.88 0.39 87.15 1.70 0.19 0.20 0.11 0.00 10.04 0.60 51 K H G 161.52 2.12 13.00 16.72 91.44 -100.85 -59.66 -33.70 21.18 0.18 78.64 1.61 2.27 16.56 27.83 51.52 0.02 0.10 0.08 52 G H G 58.18 1.03 14.88 14.82 91.82 57.61 -69.90 -21.71 19.81 0.13 80.07 1.07 1.63 16.27 25.62 55.24 0.02 0.07 0.07 53 D H G 46.00 12.88 11.75 25.19 96.78 50.84 -95.29 -5.09 16.02 0.26 83.73 3.96 2.04 9.43 26.57 57.75 0.01 0.16 0.07 54 L H H 55.25 14.63 12.10 26.78 92.77 91.03 -60.07 -42.50 1.45 0.01 98.54 0.46 0.16 0.67 97.91 0.80 0.00 0.00 0.00 55 G H H 47.69 1.58 19.16 19.37 91.84 51.99 -64.14 -40.00 0.66 0.01 99.33 0.09 0.05 0.45 98.79 0.62 0.00 0.00 0.00 56 L H H 83.89 4.30 18.01 22.87 92.11 49.68 -66.16 -40.31 0.20 0.01 99.79 0.02 0.02 0.13 99.38 0.44 0.00 0.01 0.00 57 V H H 18.91 18.78 13.22 31.81 92.23 50.56 -65.24 -42.79 0.17 0.00 99.83 0.01 0.01 0.12 99.54 0.31 0.00 0.00 0.00 58 I H H 80.50 9.51 16.54 26.73 91.37 52.19 -63.71 -38.19 1.04 0.00 98.95 0.05 0.04 0.98 98.14 0.79 0.00 0.00 0.00 59 A H H 79.54 1.72 18.68 19.55 91.55 55.79 -68.12 -27.67 17.23 0.01 82.76 0.12 0.21 18.49 80.10 1.08 0.01 0.00 0.00 60 C H H 59.86 8.60 14.86 24.63 96.37 50.25 -90.83 -10.91 43.40 0.02 56.57 0.51 1.22 41.91 54.77 1.54 0.01 0.00 0.02 61 L C C 40.92 16.36 9.46 25.39 112.96 98.07 -82.12 129.61 89.05 1.33 9.62 43.85 40.77 4.82 5.08 3.89 0.00 0.42 1.17 62 P C T 87.05 3.86 15.12 20.00 97.07 -142.32 -65.63 -24.56 72.32 1.04 26.64 21.55 11.14 39.82 6.12 20.28 0.01 0.54 0.55 63 Y C T 146.78 4.06 12.45 17.81 99.98 50.54 -86.51 4.72 66.86 3.21 29.93 19.03 10.53 38.29 7.43 21.52 0.06 1.78 1.36 64 A C C 57.61 8.69 8.46 18.11 105.06 112.05 -78.79 43.06 69.57 5.02 25.40 39.63 13.40 16.23 7.04 18.72 0.02 2.78 2.18 65 S C C 87.13 2.11 10.04 13.60 108.08 62.94 -90.30 79.84 84.74 2.88 12.38 69.14 2.40 14.75 4.62 6.12 0.00 1.84 1.13 66 R C C 162.94 3.37 10.83 16.11 108.04 -122.16 -85.65 103.96 99.80 0.13 0.07 99.61 0.15 0.12 0.03 0.01 0.00 0.07 0.02