# 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 113.32 5.84 11.29 18.69 115.81 -149.70 -92.17 133.36 99.92 0.06 0.02 99.88 0.05 0.02 0.01 0.00 0.00 0.02 0.01 1 V C C 107.75 3.32 10.06 15.14 115.07 -141.55 -91.95 134.07 76.47 4.69 18.84 72.30 1.02 3.71 16.80 1.86 0.00 2.55 1.76 2 L C C 108.11 4.81 8.57 15.15 113.22 -139.96 -91.46 127.80 63.43 6.45 30.12 48.67 8.07 6.28 27.17 3.94 0.01 3.95 1.92 3 A C H 66.04 5.08 10.17 16.89 111.35 -144.14 -87.62 126.25 48.48 6.01 45.51 38.67 5.57 5.33 38.78 5.98 0.01 4.29 1.37 4 V H H 85.67 5.60 10.70 17.77 108.07 -153.47 -88.53 100.22 24.52 4.52 70.96 15.96 4.67 6.04 56.45 12.22 0.06 3.82 0.78 5 D H H 88.43 5.17 11.59 18.14 103.71 65.13 -81.15 57.69 23.16 3.07 73.77 13.76 3.76 6.82 56.29 16.13 0.06 2.60 0.60 6 L H H 103.75 5.62 11.06 18.01 96.94 101.47 -75.56 -19.06 26.71 1.76 71.52 9.27 4.90 13.28 56.13 14.41 0.20 1.25 0.56 7 L H H 106.12 4.39 12.20 17.81 98.78 54.96 -86.66 -11.34 41.28 1.92 56.81 8.93 11.60 23.60 46.27 7.11 0.49 0.92 1.07 8 N C S 99.97 4.13 12.26 17.98 109.53 48.90 -112.36 89.73 98.35 1.25 0.40 30.78 66.84 0.95 0.26 0.10 0.00 0.49 0.58 9 P C C 58.03 9.28 9.28 20.00 116.72 -151.30 -71.53 151.73 97.91 1.69 0.41 87.98 8.99 0.79 0.23 0.14 0.00 0.59 1.28 10 S C C 60.49 2.92 14.08 17.77 115.70 -104.44 -72.89 152.77 98.96 0.35 0.69 96.36 2.36 0.27 0.59 0.07 0.00 0.09 0.26 11 P H H 90.86 4.23 11.16 17.14 92.64 -111.66 -58.74 -37.02 8.67 0.08 91.25 3.81 1.51 3.67 89.08 1.85 0.01 0.03 0.03 12 A H H 73.85 1.65 13.24 14.98 92.69 53.65 -64.99 -39.23 5.35 0.11 94.54 1.88 0.76 2.93 92.02 2.30 0.01 0.06 0.03 13 S H H 55.59 2.66 13.30 16.82 92.80 49.85 -66.35 -39.45 3.69 0.18 96.13 1.71 0.56 1.73 93.18 2.63 0.01 0.14 0.03 14 E H H 75.95 5.81 11.57 19.38 92.62 51.97 -66.23 -39.44 2.81 0.12 97.07 1.31 0.41 1.27 95.45 1.45 0.01 0.08 0.02 15 A H H 56.43 4.17 12.77 18.46 92.62 52.65 -65.57 -38.42 4.69 0.15 95.16 1.54 0.52 2.62 93.68 1.50 0.01 0.10 0.03 16 R H H 157.16 1.65 14.33 16.01 93.46 51.23 -68.87 -35.17 10.43 0.13 89.44 1.70 0.92 7.39 88.32 1.54 0.02 0.07 0.04 17 K H H 129.82 2.93 13.92 17.70 95.29 51.59 -75.47 -26.45 25.94 0.34 73.73 4.37 3.06 18.25 72.39 1.60 0.03 0.14 0.15 18 H C H 91.03 7.98 11.13 20.39 101.52 62.84 -88.23 8.16 57.01 2.49 40.50 26.16 9.93 20.36 38.61 2.73 0.04 1.24 0.93 19 K C C 123.89 3.96 14.09 19.32 103.08 99.74 -75.56 -4.39 57.50 8.15 34.35 38.69 7.67 10.72 29.61 5.55 0.08 5.11 2.58 20 L C C 88.00 7.55 12.20 20.97 101.23 59.92 -73.87 -20.06 50.35 7.95 41.71 31.08 8.61 10.77 29.42 12.47 0.08 5.64 1.94 21 K C C 123.60 5.23 13.80 20.32 98.95 73.03 -76.57 -19.85 50.67 10.25 39.08 29.17 9.91 11.84 24.47 14.79 0.15 7.51 2.16 22 T C C 82.69 5.12 13.99 20.29 102.12 61.17 -84.84 -8.58 54.05 13.03 32.92 31.26 11.07 12.16 19.00 14.09 0.16 9.35 2.91 23 L C C 84.86 8.42 12.83 22.12 101.14 70.12 -83.70 -18.45 68.69 12.32 18.99 38.47 20.05 10.82 12.15 6.78 0.11 7.46 4.16 24 V C C 65.32 9.42 11.07 21.68 116.25 67.27 -102.39 127.15 88.25 7.82 3.94 43.09 36.58 9.27 2.22 1.70 0.01 4.70 2.44 25 P C C 95.20 3.53 14.01 18.68 103.87 -116.54 -73.45 36.51 95.34 2.31 2.35 43.31 35.62 16.59 0.70 1.65 0.00 1.40 0.73 26 A C C 54.53 6.94 11.56 20.08 118.78 62.27 -107.24 135.00 94.83 3.60 1.57 52.33 37.19 5.26 0.33 1.32 0.00 1.67 1.91 27 P C T 84.26 5.74 13.34 20.46 104.33 -100.34 -69.03 114.47 90.33 1.26 8.41 21.93 17.19 50.38 0.81 8.48 0.00 0.73 0.47 28 R C T 148.37 5.40 15.40 21.79 101.58 3.15 -83.72 39.41 87.50 3.54 8.96 20.50 18.52 48.25 0.94 8.51 0.00 2.37 0.91 29 S C C 35.96 13.36 13.62 27.53 121.51 134.49 -104.46 141.69 75.14 16.95 7.91 51.47 14.20 9.35 1.06 7.53 0.00 14.66 1.74 30 F C E 77.69 11.27 18.45 30.18 123.62 -169.99 -120.85 140.85 52.40 46.28 1.32 36.74 13.54 2.92 0.26 1.12 0.00 43.92 1.50 31 F E E 72.65 15.18 16.85 31.67 121.80 -141.48 -109.87 136.03 13.63 86.20 0.17 11.94 1.32 0.20 0.04 0.12 0.00 85.73 0.64 32 M E E 52.27 12.91 18.56 32.06 126.24 -171.88 -124.67 143.68 3.59 96.39 0.01 3.14 0.27 0.02 0.00 0.01 0.00 96.40 0.15 33 D E E 79.94 8.66 20.72 29.61 112.82 -124.12 -87.04 125.53 1.90 98.09 0.00 1.62 0.16 0.01 0.00 0.00 0.00 98.18 0.03 34 V E E 21.85 18.52 15.15 33.83 125.88 -174.19 -123.42 138.67 2.66 97.34 0.00 2.42 0.11 0.01 0.00 0.00 0.00 97.36 0.10 35 K E E 116.57 5.28 21.96 28.00 116.53 -141.87 -98.08 128.85 8.67 91.32 0.01 7.95 0.44 0.03 0.00 0.01 0.00 89.91 1.67 36 C C C 13.04 20.51 10.69 30.90 113.76 -136.05 -82.07 132.17 91.93 8.05 0.02 90.98 1.16 0.08 0.00 0.01 0.00 7.40 0.37 37 P C T 84.74 5.23 17.28 23.42 109.11 -102.25 -61.17 134.85 98.24 0.69 1.07 0.90 7.28 89.94 0.02 1.24 0.00 0.53 0.09 38 G C T 58.35 1.93 16.54 18.32 95.37 15.38 84.74 -2.67 98.45 0.58 0.97 0.49 7.26 90.65 0.02 1.11 0.00 0.41 0.07 39 C C C 34.86 13.87 9.43 23.50 129.14 84.39 -123.24 155.48 78.53 19.60 1.88 41.65 30.25 7.64 0.26 2.06 0.01 12.43 5.70 40 F C S 155.44 2.58 16.01 19.38 96.93 -141.97 -83.91 -11.00 85.75 13.98 0.26 23.80 56.70 5.17 0.03 0.28 0.00 13.11 0.92 41 T C S 74.61 5.26 17.13 23.49 120.14 88.33 -97.68 138.83 65.11 34.68 0.20 28.93 33.96 2.77 0.02 0.20 0.00 33.29 0.83 42 I E E 59.50 14.96 14.14 29.20 118.33 -144.63 -103.82 129.70 31.70 68.27 0.02 30.05 0.87 0.06 0.01 0.01 0.00 68.71 0.29 43 T E E 42.62 11.34 19.26 31.40 122.63 -169.78 -114.93 139.63 3.18 96.81 0.01 2.90 0.15 0.01 0.00 0.00 0.00 96.87 0.07 44 T E E 42.20 14.01 19.84 34.03 122.21 -147.60 -111.99 134.98 0.50 99.50 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.51 0.01 45 V E E 22.56 16.41 19.46 36.47 121.76 -166.42 -117.73 132.72 0.79 99.21 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.24 0.02 46 F E E 51.78 13.67 19.55 33.88 119.24 -157.77 -110.67 130.77 4.69 95.28 0.03 3.90 0.40 0.06 0.01 0.02 0.00 95.46 0.15 47 S E E 31.64 12.97 16.89 30.45 125.55 -177.60 -121.95 154.84 35.69 63.05 1.26 21.95 9.38 5.09 0.16 1.07 0.00 61.76 0.58 48 H C T 116.16 6.91 18.98 25.92 99.86 -95.42 -69.94 2.95 78.25 18.28 3.47 25.06 24.31 29.43 0.39 3.11 0.00 16.47 1.21 49 A C T 50.59 9.84 16.41 26.53 105.78 12.98 -88.88 35.26 93.56 3.15 3.30 19.83 31.77 41.79 0.29 3.40 0.00 2.42 0.51 50 Q C T 84.51 9.62 18.57 28.56 117.70 -109.24 -102.23 133.63 76.93 21.19 1.88 21.79 25.84 29.41 0.15 1.84 0.00 20.14 0.82 51 T E E 35.78 14.97 18.15 33.33 122.29 -132.90 -110.49 135.28 24.68 75.00 0.32 17.61 5.16 1.69 0.04 0.30 0.00 74.78 0.41 52 V E E 29.14 14.63 22.18 37.39 121.41 -157.31 -111.73 132.50 4.08 95.91 0.01 3.67 0.19 0.02 0.00 0.00 0.00 96.01 0.10 53 V E E 9.33 21.19 20.82 42.27 119.15 -160.45 -110.44 128.72 0.68 99.32 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.33 0.02 54 I E E 38.48 12.18 24.33 37.25 120.55 -163.11 -113.10 132.18 1.29 98.70 0.00 1.21 0.05 0.01 0.00 0.00 0.00 98.57 0.15 55 C E E 10.07 19.89 14.75 35.31 114.39 -129.34 -78.15 137.25 39.14 60.79 0.08 37.08 1.07 0.17 0.01 0.05 0.00 60.73 0.89 56 Q C T 95.87 8.99 18.79 28.05 107.26 -104.75 -63.13 126.35 96.92 2.25 0.83 1.62 13.52 81.87 0.03 0.85 0.00 1.88 0.23 57 G C T 57.54 2.08 18.96 20.89 97.01 19.59 84.06 -1.39 98.21 1.04 0.75 1.32 16.11 80.83 0.03 0.79 0.00 0.76 0.16 58 C C S 36.06 15.53 10.27 25.19 129.78 74.30 -124.84 158.26 89.71 9.04 1.25 34.90 41.19 13.91 0.14 1.41 0.00 6.10 2.34 59 T C S 109.46 2.16 18.70 21.20 95.77 -144.06 -88.30 -4.92 94.57 5.07 0.36 26.07 59.75 8.78 0.04 0.40 0.00 4.37 0.59 60 T C S 62.30 7.80 18.26 27.19 120.12 106.24 -89.61 141.75 72.44 27.31 0.25 32.87 37.00 2.85 0.03 0.25 0.00 25.73 1.27 61 V E E 51.64 14.63 17.97 32.79 110.45 -124.68 -81.25 123.63 8.80 91.17 0.03 8.51 0.37 0.04 0.01 0.02 0.00 89.76 1.30 62 L E E 20.21 18.46 20.21 38.87 99.01 -167.78 -90.10 -28.32 8.61 91.38 0.01 4.43 3.97 0.15 0.00 0.01 0.00 91.34 0.09 63 C E E 8.45 21.00 17.71 39.11 139.09 8.65 -148.56 150.85 0.68 99.32 0.00 0.55 0.07 0.00 0.00 0.00 0.00 99.35 0.03 64 Q E E 82.73 7.50 23.70 31.83 127.64 -163.06 -131.61 138.90 0.85 99.15 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.18 0.01 65 P E E 49.59 16.04 12.18 27.84 113.24 -111.41 -70.27 138.07 3.47 96.52 0.00 3.13 0.11 0.01 0.00 0.00 0.00 96.68 0.07 66 T E E 76.04 4.95 13.89 20.79 121.40 175.38 -135.76 123.25 13.40 86.38 0.22 9.91 3.08 0.82 0.05 0.20 0.00 83.86 2.08 67 G C T 67.59 0.61 14.29 13.17 94.14 -14.51 58.49 31.95 99.22 0.34 0.44 0.48 9.73 88.99 0.01 0.52 0.00 0.23 0.05 68 G C T 52.52 4.90 12.96 19.01 95.07 -48.13 82.02 2.65 99.43 0.14 0.43 0.62 10.58 88.19 0.01 0.49 0.00 0.10 0.02 69 K E E 117.41 3.31 17.90 22.40 127.59 94.89 -118.94 145.58 10.97 88.95 0.08 7.25 3.87 0.42 0.02 0.06 0.00 87.01 1.38 70 A E E 22.81 19.98 11.47 30.84 115.46 -120.93 -79.11 136.07 6.56 93.43 0.01 6.00 0.27 0.03 0.00 0.01 0.00 93.55 0.15 71 R E E 112.19 5.46 22.94 29.09 127.76 -170.53 -126.81 142.26 5.71 94.27 0.02 5.23 0.32 0.04 0.00 0.01 0.00 94.23 0.17 72 L E E 60.55 16.97 13.34 29.66 113.27 -116.07 -77.03 135.33 13.35 86.55 0.10 12.82 0.53 0.08 0.05 0.05 0.00 83.99 2.47 73 T C C 53.79 9.78 15.02 25.91 119.68 -143.95 -92.36 152.72 78.43 19.77 1.80 70.33 4.87 2.35 0.28 1.66 0.00 19.37 1.14 74 E C T 153.50 1.85 16.01 18.28 110.69 -82.67 -64.94 136.09 83.29 13.40 3.32 8.07 16.32 59.51 0.32 3.19 0.01 11.32 1.25 75 G C T 55.87 2.26 16.86 19.29 96.63 22.38 84.33 -2.34 89.17 8.10 2.74 12.85 17.24 59.06 0.23 2.82 0.00 7.17 0.63 76 C C C 30.08 18.53 9.80 27.34 114.86 129.33 -84.59 135.31 85.74 12.36 1.90 72.46 10.11 2.76 0.36 1.79 0.00 10.57 1.95 77 S C C 58.10 7.01 18.77 26.58 123.75 -166.76 -115.45 145.27 70.02 28.79 1.19 55.25 10.79 2.94 0.33 1.04 0.00 25.08 4.58 78 F C C 78.29 14.92 12.80 27.61 124.97 -163.92 -119.66 142.04 57.14 41.89 0.97 44.77 9.46 2.55 0.22 0.91 0.00 39.53 2.57 79 R E E 133.28 5.77 14.70 22.19 123.63 -164.54 -120.50 140.82 41.44 57.81 0.75 36.23 3.37 0.93 0.36 0.51 0.00 52.25 6.33 80 R C C 146.75 6.15 10.87 18.81 115.96 -132.48 -89.39 135.39 50.56 48.96 0.48 49.20 1.01 0.42 0.25 0.23 0.00 43.13 5.76 81 K C C 145.10 3.63 12.85 18.10 110.75 -116.04 -80.35 127.29 99.84 0.15 0.01 99.84 0.04 0.01 0.00 0.00 0.00 0.09 0.01