# 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 S C C 80.46 3.30 12.19 17.06 115.72 -142.34 -90.66 142.02 99.87 0.09 0.04 99.73 0.12 0.07 0.02 0.00 0.00 0.04 0.01 1 R C C 154.08 4.15 8.81 14.85 113.97 -135.57 -94.07 130.78 82.19 4.52 13.30 76.82 1.79 4.48 8.32 3.90 0.00 2.55 2.14 2 S C C 68.05 4.23 9.20 15.15 113.33 -135.20 -87.25 139.53 65.92 8.72 25.35 51.25 7.49 7.32 10.22 14.91 0.01 5.82 2.97 3 V C G 108.49 3.84 9.99 15.54 96.30 -132.65 -73.20 -20.67 50.51 9.00 40.49 20.08 13.39 20.34 11.40 26.12 0.24 5.98 2.45 4 W C G 164.11 4.59 10.50 16.51 100.42 61.47 -88.98 8.13 49.58 12.14 38.28 18.69 11.99 22.40 10.73 24.70 0.30 8.34 2.85 5 K C C 132.89 4.02 11.65 17.30 107.79 98.04 -89.32 73.49 61.45 13.64 24.91 27.45 19.36 17.00 9.94 13.27 0.32 7.84 4.84 6 G C C 35.11 6.05 12.75 20.31 130.24 -50.07 135.77 -176.57 89.54 8.58 1.88 43.55 34.11 12.48 0.40 1.57 0.00 5.60 2.28 7 P C S 85.64 5.76 13.78 20.68 105.23 -34.92 -72.24 108.50 92.41 5.87 1.72 29.88 32.47 30.58 0.26 1.51 0.00 4.48 0.83 8 N C E 79.71 9.03 14.04 23.87 107.58 65.17 -93.44 79.91 58.89 38.57 2.54 27.77 16.09 18.31 0.61 2.06 0.02 31.09 4.05 9 I E E 80.58 10.67 12.78 24.31 119.44 129.63 -106.73 130.20 36.47 62.62 0.91 27.49 6.10 1.09 0.52 0.53 0.01 43.46 20.80 10 V C C 68.14 8.04 14.05 23.78 119.95 -164.63 -113.61 132.55 72.20 27.54 0.26 64.16 6.06 0.56 0.10 0.17 0.00 26.47 2.48 11 P C C 91.41 4.78 15.63 21.86 111.85 -114.23 -68.84 141.99 87.55 11.68 0.77 60.03 24.92 2.61 0.27 0.50 0.00 10.36 1.30 12 L C C 73.58 11.74 9.95 22.21 115.87 -121.37 -88.06 134.33 92.29 4.46 3.26 66.82 22.57 3.04 2.04 1.24 0.00 2.87 1.42 13 P C C 85.59 4.38 14.89 20.41 107.66 -117.60 -72.37 122.68 88.14 3.95 7.91 76.80 7.16 4.38 4.99 2.69 0.00 2.60 1.38 14 I C C 83.81 10.25 10.02 20.94 111.09 -142.76 -92.62 116.31 74.53 5.27 20.21 61.98 7.29 4.92 15.42 5.08 0.00 3.15 2.15 15 R C C 149.29 4.10 13.05 18.65 110.84 -145.30 -88.88 128.65 64.24 4.79 30.97 50.79 7.48 6.02 23.44 7.60 0.01 3.24 1.41 16 E C C 127.06 3.65 13.91 18.89 111.55 -78.02 -82.90 122.43 56.25 5.15 38.60 41.46 7.76 7.15 28.06 10.57 0.02 3.66 1.33 17 A C C 55.82 8.87 11.30 21.31 110.05 -124.08 -77.94 130.27 56.90 4.72 38.38 42.53 6.65 7.69 27.33 11.15 0.01 3.31 1.32 18 M C C 92.21 8.94 10.46 20.47 109.55 -128.00 -88.56 117.16 61.56 4.17 34.27 43.17 9.13 9.13 24.62 9.86 0.02 2.54 1.54 19 T C C 94.22 3.74 12.66 17.91 110.12 -146.02 -91.05 111.89 70.24 4.06 25.70 45.07 11.33 13.62 18.67 7.22 0.02 2.32 1.75 20 K C C 152.05 2.50 12.67 16.52 107.59 -86.75 -89.07 114.11 81.83 2.66 15.51 35.16 21.78 25.55 9.99 4.97 0.01 1.37 1.17 21 G C C 48.46 4.41 13.03 18.96 114.52 13.86 91.38 -3.50 96.00 2.02 1.98 44.31 33.92 18.02 0.46 1.43 0.00 1.24 0.63 22 T C C 79.84 4.83 15.75 21.92 117.21 30.09 -94.14 134.71 94.71 5.16 0.13 71.98 22.51 0.57 0.03 0.11 0.00 4.07 0.73 23 P C C 62.29 11.59 15.10 27.32 115.66 -111.01 -67.75 146.31 88.72 11.21 0.07 82.69 5.12 0.31 0.01 0.05 0.00 11.15 0.67 24 I E E 30.58 18.66 14.69 33.60 117.90 -138.76 -104.43 130.51 17.87 82.06 0.07 16.63 0.73 0.06 0.05 0.03 0.00 74.81 7.69 25 R E E 132.69 5.99 22.84 29.83 115.68 -141.51 -91.82 130.96 19.61 80.30 0.09 18.77 0.72 0.08 0.06 0.04 0.00 76.28 4.06 26 T C C 19.77 21.71 11.76 32.58 125.72 -172.67 -117.79 149.64 68.64 30.54 0.82 60.83 5.25 1.26 0.19 0.62 0.00 29.23 2.61 27 N C C 98.97 4.79 21.38 26.62 97.12 -154.55 -89.64 -7.68 86.44 9.27 4.29 38.90 38.33 9.96 0.82 3.34 0.00 6.86 1.79 28 A C C 32.32 14.72 15.09 29.81 110.48 81.98 -91.69 126.44 80.59 4.44 14.97 31.37 30.87 19.07 2.16 12.38 0.01 2.57 1.58 29 R C T 137.01 7.85 17.88 26.55 101.87 -158.51 -80.36 -18.60 77.22 4.58 18.20 24.76 25.44 27.96 2.05 15.68 0.01 2.77 1.32 30 A C C 68.23 5.20 21.19 26.55 100.09 43.77 -88.73 25.29 75.51 7.47 17.02 36.95 17.60 21.80 1.82 15.24 0.01 5.19 1.39 31 A C C 16.89 19.22 13.61 32.81 122.24 132.55 -89.70 149.56 78.58 18.16 3.26 65.21 10.69 2.30 0.54 2.77 0.00 17.28 1.21 32 T E E 65.10 7.11 24.80 32.53 120.05 -133.26 -105.02 133.13 22.43 77.08 0.49 19.35 2.33 0.39 0.23 0.32 0.00 70.63 6.76 33 I E E 22.11 22.85 14.45 37.32 116.92 -148.96 -100.34 126.89 19.84 80.12 0.04 19.08 0.60 0.03 0.03 0.02 0.00 64.28 15.96 34 L C C 52.78 9.21 19.35 29.84 113.67 -128.07 -75.12 136.95 99.13 0.85 0.01 99.15 0.26 0.01 0.00 0.00 0.00 0.52 0.05 35 P H G 71.68 9.54 15.71 26.46 90.83 -122.06 -58.37 -31.02 11.44 0.18 88.38 0.85 0.98 7.96 0.58 89.49 0.00 0.14 0.01 36 Q H G 119.40 3.61 19.97 24.40 88.98 64.87 -68.05 -16.45 10.49 0.11 89.40 0.31 0.58 8.41 0.43 90.18 0.00 0.08 0.01 37 F H G 19.39 20.28 13.56 34.38 94.20 58.35 -95.26 -5.73 11.21 0.20 88.59 1.75 1.22 6.35 0.60 89.93 0.00 0.14 0.02 38 V C T 55.92 13.95 14.87 29.48 112.49 115.93 -62.62 132.54 97.38 1.60 1.02 0.64 1.54 95.99 0.13 0.46 0.00 0.62 0.62 39 G C T 44.79 3.72 21.40 25.80 93.80 23.29 85.66 -4.04 99.52 0.36 0.12 0.32 2.04 97.27 0.00 0.08 0.00 0.26 0.02 40 L C C 34.19 15.96 15.36 32.01 118.64 129.74 -78.62 145.17 94.25 5.74 0.01 90.24 3.75 0.05 0.00 0.01 0.00 5.83 0.13 41 K E E 88.50 9.16 23.40 33.05 116.83 -136.51 -102.09 129.07 2.43 97.57 0.00 2.51 0.06 0.00 0.00 0.00 0.00 97.12 0.31 42 F E E 8.90 23.48 16.72 40.52 131.05 -174.12 -126.11 149.96 0.21 99.79 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 43 Q E E 42.49 11.14 24.86 36.96 118.22 -135.84 -100.04 132.49 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 44 I E E 8.64 21.94 18.30 40.85 119.31 -160.73 -111.57 128.68 0.52 99.48 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 45 H E E 40.97 12.07 18.94 32.47 114.81 -156.37 -105.94 122.80 9.25 90.71 0.04 7.94 0.80 0.11 0.01 0.03 0.00 90.86 0.25 46 N C E 57.59 9.99 16.59 28.15 100.48 174.52 -107.42 14.98 53.49 45.68 0.83 33.51 12.71 7.73 0.07 0.89 0.00 44.11 0.99 47 G C T 41.61 7.03 14.83 22.55 98.97 -90.16 77.39 -9.77 98.52 0.63 0.85 2.50 40.90 55.06 0.02 0.97 0.00 0.42 0.12 48 K C S 155.15 1.49 15.37 16.77 103.16 38.52 -102.36 -25.92 98.33 1.01 0.67 2.72 48.29 47.38 0.02 0.73 0.00 0.71 0.15 49 E E E 126.98 1.85 17.20 18.98 126.36 33.41 -126.26 144.40 33.09 66.80 0.11 22.98 9.75 0.83 0.02 0.11 0.00 65.23 1.08 50 Y E E 96.52 15.44 10.02 24.85 118.33 -134.78 -98.85 133.47 11.11 88.88 0.01 10.35 0.45 0.02 0.00 0.00 0.00 88.87 0.31 51 V E E 61.29 7.17 18.14 26.83 119.13 -166.80 -120.01 124.31 4.08 95.92 0.00 3.66 0.15 0.00 0.00 0.00 0.00 96.14 0.04 52 P E E 82.24 7.13 18.01 26.38 114.62 -120.97 -68.95 139.73 3.73 96.27 0.00 3.48 0.06 0.00 0.00 0.00 0.00 96.44 0.02 53 I E E 25.31 18.97 13.28 32.19 128.47 -173.97 -127.58 144.20 2.71 97.29 0.00 2.73 0.03 0.00 0.00 0.00 0.00 97.18 0.06 54 E E E 112.72 4.37 24.09 28.83 115.08 -130.87 -92.21 129.66 2.62 97.38 0.00 2.57 0.05 0.00 0.00 0.00 0.00 97.11 0.26 55 I E E 12.11 24.27 11.17 35.62 114.31 -145.19 -95.94 125.10 33.31 66.66 0.03 33.26 0.47 0.03 0.01 0.01 0.00 65.45 0.78 56 S C C 38.57 4.94 22.36 27.46 133.80 170.79 -128.95 171.74 97.06 2.82 0.11 94.75 2.66 0.12 0.05 0.05 0.00 1.99 0.37 57 E H G 121.37 7.97 14.74 24.02 90.57 -94.70 -60.44 -32.41 19.21 0.16 80.63 0.80 1.81 16.55 7.65 73.04 0.00 0.11 0.03 58 D H G 116.44 1.46 19.29 20.21 90.44 61.09 -69.75 -20.66 18.62 0.09 81.29 0.49 1.14 17.15 6.86 74.28 0.00 0.06 0.02 59 M H G 28.97 17.71 13.79 31.78 96.32 50.08 -97.31 -6.78 17.33 0.31 82.35 1.77 1.80 13.60 8.15 74.37 0.00 0.23 0.08 60 V C T 38.32 17.57 14.00 31.60 113.23 111.74 -65.02 135.68 77.42 4.97 17.61 6.47 5.85 64.61 12.44 5.52 0.14 2.39 2.57 61 G C T 33.19 8.81 20.25 29.85 95.06 21.03 82.77 -3.95 85.24 1.61 13.16 5.97 7.29 71.62 7.91 5.45 0.02 1.03 0.69 62 H C C 83.71 9.27 19.65 29.43 100.39 111.32 -77.88 -34.62 60.21 4.11 35.68 31.26 11.80 17.95 21.16 13.42 0.08 1.94 2.39 63 K H H 80.14 11.86 20.80 32.01 97.03 40.26 -68.72 -39.08 41.33 12.13 46.53 12.85 9.68 19.14 26.94 17.28 1.38 4.29 8.44 64 L H H 43.24 17.90 17.42 34.42 98.93 6.97 -69.05 -15.84 39.98 3.76 56.27 5.40 7.86 25.14 28.85 27.17 1.34 2.00 2.23 65 G H G 28.69 11.28 18.69 29.97 97.22 31.26 66.84 -13.33 42.59 1.89 55.52 6.95 7.30 26.56 23.39 33.40 0.32 0.98 1.11 66 E C T 89.21 8.29 18.05 27.10 94.31 79.31 -69.80 -27.93 54.85 2.03 43.12 8.56 9.44 34.95 15.41 29.05 0.22 1.04 1.34 67 F C T 91.49 10.21 15.40 26.19 100.17 41.95 -98.99 -3.51 63.19 4.19 32.62 14.79 14.73 34.06 11.37 20.08 0.35 1.93 2.69 68 A C C 38.63 11.94 11.81 24.54 115.04 96.96 -83.40 141.12 77.99 3.66 18.34 37.17 29.54 12.20 5.64 11.60 0.02 1.62 2.20 69 P C C 96.08 3.54 15.03 19.46 97.82 -110.68 -69.69 -8.42 80.13 2.92 16.95 43.56 16.85 19.80 3.71 13.23 0.01 1.59 1.25 70 T C C 75.93 7.55 10.83 19.45 101.48 83.81 -88.39 4.28 78.05 7.62 14.33 51.44 12.54 13.69 3.40 11.27 0.02 4.30 3.33 71 R C C 144.43 5.57 10.42 17.49 108.72 92.42 -92.58 64.34 84.48 10.68 4.84 61.14 18.00 4.74 2.15 2.82 0.02 5.60 5.53 72 K C C 143.95 2.24 11.08 14.96 117.33 111.83 -95.65 136.65 88.33 9.98 1.68 65.64 20.50 2.50 0.71 1.00 0.00 6.88 2.78 73 R C C 174.67 2.27 10.33 14.52 113.37 -111.77 -79.11 137.20 85.95 12.78 1.26 76.86 6.83 1.79 0.50 0.78 0.00 9.65 3.60 74 F C C 130.83 5.68 7.36 14.81 117.42 -139.08 -98.40 137.79 84.12 14.89 0.99 76.73 5.43 1.48 0.36 0.63 0.00 11.03 4.34 75 S C C 89.50 1.51 9.92 12.78 118.92 -163.24 -114.33 136.40 81.18 17.86 0.96 71.20 7.45 1.84 0.33 0.68 0.00 14.36 4.14 76 Y C C 158.41 3.88 6.91 12.93 119.53 -158.53 -107.08 134.22 80.05 18.38 1.56 63.06 12.86 3.54 0.55 1.13 0.00 14.24 4.62 77 T C C 106.02 1.71 8.25 11.59 118.12 -156.69 -102.96 139.01 86.15 12.28 1.57 72.61 9.12 3.78 0.53 1.10 0.00 9.97 2.90 78 Q C C 143.96 1.90 7.19 10.96 108.13 -131.90 -83.61 107.88 93.00 6.16 0.84 89.91 1.72 2.01 0.29 0.37 0.00 4.14 1.57 79 T C C 106.43 1.98 9.39 12.82 111.33 -145.55 -94.52 120.59 99.90 0.09 0.01 99.74 0.13 0.06 0.00 0.00 0.00 0.05 0.01