# 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 123.72 4.17 11.36 17.35 115.84 -161.13 -100.90 132.75 99.65 0.32 0.03 99.65 0.10 0.04 0.02 0.00 0.00 0.16 0.04 1 A C C 79.31 3.57 8.58 14.14 113.99 -145.38 -90.56 133.22 86.82 8.08 5.09 81.12 1.63 4.64 2.43 1.81 0.00 6.26 2.10 2 H C C 146.49 2.47 8.32 12.63 114.65 -155.18 -98.26 131.48 77.48 15.61 6.92 50.31 18.21 9.05 3.15 3.80 0.02 11.79 3.66 3 K C C 147.94 2.57 8.97 13.48 115.68 -145.44 -97.18 133.72 73.82 18.80 7.38 50.94 15.99 6.38 3.60 4.04 0.02 13.86 5.15 4 K C C 144.33 3.17 9.26 14.44 114.72 -130.53 -89.36 134.70 78.98 14.13 6.89 59.40 12.13 6.82 3.20 3.86 0.01 10.59 4.00 5 A C C 82.33 3.45 8.84 14.21 112.53 -130.65 -87.47 136.78 84.85 8.78 6.37 48.36 16.79 20.07 1.99 4.27 0.01 6.30 2.22 6 G C C 57.28 2.36 10.46 14.30 116.60 14.30 -114.10 162.41 87.17 7.17 5.66 36.81 24.37 26.82 1.25 4.26 0.01 4.54 1.94 7 G C C 51.52 3.39 10.37 15.45 119.44 101.03 -142.05 173.77 85.98 8.54 5.48 44.89 27.35 14.16 1.27 4.32 0.01 5.33 2.68 8 S C C 78.45 3.84 10.78 16.33 116.02 -102.31 -94.68 142.67 79.74 12.27 7.98 53.95 16.52 9.04 2.74 5.47 0.01 7.73 4.54 9 T C C 89.31 4.83 10.44 16.93 111.67 -151.29 -93.67 121.28 74.84 12.27 12.89 46.67 16.05 12.41 4.27 8.62 0.02 8.27 3.69 10 R C C 158.78 3.63 11.05 16.32 107.66 -150.09 -86.52 63.71 73.29 11.41 15.30 37.14 17.97 19.45 4.84 9.77 0.05 7.32 3.48 11 N C C 105.88 4.36 11.76 17.46 103.90 94.56 -92.17 37.59 81.00 6.40 12.61 31.56 22.48 28.38 3.55 8.05 0.02 3.85 2.11 12 G C C 47.13 5.40 11.96 18.65 103.09 -101.41 80.86 6.85 87.68 4.37 7.95 38.80 25.98 23.57 2.07 5.52 0.00 2.42 1.63 13 R C C 130.98 5.68 12.25 19.57 116.33 125.44 -94.16 139.47 80.09 9.23 10.68 52.23 18.14 9.58 4.47 6.14 0.01 4.74 4.69 14 D C C 89.91 6.36 12.35 20.06 111.51 -123.12 -86.00 128.39 80.78 5.90 13.32 57.89 13.07 9.58 5.66 7.76 0.00 3.47 2.56 15 S C C 61.75 7.81 11.64 20.61 107.94 -161.35 -88.33 56.12 66.64 3.47 29.90 39.29 13.34 14.40 9.98 19.60 0.01 1.89 1.50 16 E C C 132.05 3.99 14.86 19.72 101.62 77.26 -81.78 -0.51 60.66 3.38 35.96 26.22 15.15 20.71 10.82 23.78 0.07 1.75 1.50 17 S C C 56.44 8.81 13.46 23.22 112.56 101.36 -87.24 131.93 61.63 3.62 34.75 31.45 14.58 16.89 9.33 24.34 0.03 1.98 1.41 18 K C C 104.38 9.29 16.22 26.08 111.74 -138.36 -96.95 126.81 71.91 8.34 19.75 44.82 18.19 10.08 5.83 13.31 0.01 5.71 2.05 19 R C C 104.89 11.79 18.37 30.05 120.45 -149.85 -103.33 137.46 63.43 30.82 5.75 46.97 11.77 4.78 2.11 3.73 0.01 26.61 4.03 20 L E E 44.61 16.81 18.32 34.76 122.51 -152.01 -107.99 141.28 43.17 56.23 0.60 36.65 5.07 0.95 0.20 0.39 0.00 54.74 2.00 21 G E E 14.64 14.11 22.33 36.26 142.80 158.37 -157.12 172.07 14.61 85.09 0.29 11.98 2.38 0.55 0.10 0.19 0.00 84.07 0.73 22 V E E 29.84 20.32 17.50 37.04 118.75 -92.35 -98.63 133.16 6.66 92.92 0.42 5.75 0.78 0.35 0.21 0.21 0.00 92.21 0.49 23 K E E 101.41 8.47 22.06 30.93 99.24 -169.71 -93.11 -26.14 10.63 88.66 0.71 6.49 3.79 1.16 0.27 0.38 0.00 87.54 0.37 24 L E E 50.02 12.48 18.11 31.27 132.66 20.30 -136.84 142.93 15.11 83.90 0.99 12.95 1.71 0.76 0.52 0.52 0.00 82.28 1.26 25 F C C 89.14 11.69 16.14 28.33 126.10 -170.00 -125.29 139.35 52.23 43.07 4.70 44.95 4.16 2.70 0.46 4.05 0.00 41.62 2.07 26 G C T 47.68 5.96 16.53 23.53 99.25 -7.05 58.77 52.50 92.93 3.47 3.59 0.91 5.52 86.83 0.04 3.88 0.00 2.60 0.22 27 G C T 51.74 4.59 16.46 22.07 95.80 -24.87 82.71 0.28 96.26 1.30 2.43 1.51 7.25 87.07 0.03 2.90 0.00 1.15 0.09 28 Q C C 85.99 7.51 16.07 25.14 120.15 127.33 -86.49 146.52 87.47 12.49 0.04 77.11 9.49 0.21 0.00 0.05 0.00 12.74 0.40 29 A E E 62.96 7.87 20.19 28.81 116.73 -122.17 -85.68 138.53 8.80 91.19 0.00 8.89 0.17 0.01 0.00 0.00 0.00 88.90 2.04 30 V E E 12.77 22.50 12.39 34.58 126.73 -168.83 -123.83 142.56 1.84 98.16 0.00 2.02 0.01 0.00 0.00 0.00 0.00 95.95 2.02 31 K C C 118.12 3.35 23.61 26.88 121.28 -131.45 -95.14 150.74 61.49 38.50 0.01 62.74 0.32 0.02 0.00 0.01 0.00 36.01 0.90 32 A C T 56.92 11.89 14.86 27.20 109.40 -85.04 -59.06 135.03 99.33 0.57 0.10 0.07 1.27 98.28 0.00 0.06 0.00 0.28 0.03 33 G C T 41.34 5.54 20.29 26.80 95.73 23.47 89.33 -6.13 99.70 0.22 0.07 0.13 1.77 97.87 0.00 0.07 0.00 0.15 0.01 34 N C C 55.43 11.03 19.86 31.54 117.78 124.78 -77.41 143.11 88.83 11.11 0.05 85.35 3.08 0.09 0.00 0.05 0.00 10.95 0.47 35 I E E 45.94 16.64 20.75 37.04 110.64 -119.40 -79.40 123.44 2.31 97.69 0.00 2.39 0.05 0.00 0.00 0.00 0.00 96.86 0.70 36 L E E 11.80 22.05 21.95 43.67 100.90 176.35 -94.56 -33.46 2.09 97.91 0.00 1.14 0.89 0.03 0.00 0.00 0.00 97.92 0.02 37 V E E 7.96 22.39 22.29 44.48 137.39 3.99 -149.94 147.13 1.03 98.97 0.00 0.81 0.13 0.03 0.00 0.00 0.00 98.98 0.05 38 R E E 86.04 13.18 24.22 36.84 122.54 -159.16 -117.55 130.47 5.25 94.72 0.03 4.58 0.40 0.07 0.01 0.02 0.00 94.69 0.23 39 Q E E 33.78 19.22 16.31 35.05 115.09 -150.16 -98.50 125.25 31.95 67.76 0.29 27.08 3.60 0.80 0.07 0.25 0.00 67.19 1.02 40 R C C 126.47 7.33 18.22 26.52 115.02 -167.38 -100.89 128.91 71.57 27.66 0.76 38.42 20.21 13.72 0.09 0.84 0.00 25.22 1.50 41 G C S 44.64 4.54 18.09 23.14 115.23 12.11 87.87 -159.71 90.10 9.44 0.45 25.81 45.91 17.99 0.03 0.58 0.00 9.04 0.64 42 T C C 67.88 11.60 13.98 25.81 114.52 -40.80 -97.27 132.92 85.06 14.30 0.64 61.78 20.28 2.94 0.09 0.70 0.00 12.94 1.28 43 K C C 133.64 4.15 20.31 25.20 115.44 -127.17 -94.44 128.13 71.36 28.29 0.35 60.61 8.20 1.48 0.07 0.37 0.00 27.03 2.24 44 F E E 41.01 20.82 11.59 31.37 123.25 -155.26 -110.54 137.88 45.94 53.77 0.29 39.35 4.16 0.53 0.12 0.21 0.00 42.67 12.95 45 H C C 111.13 5.01 22.34 27.85 117.02 -151.15 -104.10 129.25 70.83 29.00 0.17 66.10 3.43 0.48 0.05 0.13 0.00 26.86 2.94 46 A C C 52.90 13.78 14.70 28.25 113.66 -113.85 -69.30 140.39 85.49 13.60 0.91 61.97 16.35 7.46 0.17 0.81 0.00 11.29 1.95 47 G C C 26.26 8.25 17.83 27.34 139.21 145.92 -153.12 -173.12 89.74 9.27 0.99 51.14 30.20 9.26 0.15 0.99 0.00 5.33 2.93 48 Y C T 178.21 2.21 19.78 22.12 109.29 -55.13 -72.19 125.03 93.45 5.74 0.81 2.05 26.93 65.34 0.04 0.78 0.00 4.07 0.79 49 G C T 28.54 12.04 18.22 30.31 96.24 22.08 81.34 3.09 93.36 6.36 0.28 4.29 22.45 66.35 0.01 0.36 0.00 6.31 0.23 50 V E E 18.27 21.33 14.03 35.10 122.96 105.50 -106.83 137.89 14.42 85.56 0.01 12.64 0.99 0.04 0.00 0.01 0.00 85.99 0.33 51 G E E 20.98 8.37 24.44 33.44 141.19 168.07 -148.45 173.14 0.56 99.44 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.45 0.03 52 L E E 69.83 14.57 16.48 30.84 123.80 -111.98 -116.48 136.95 0.89 99.11 0.00 0.92 0.02 0.00 0.00 0.00 0.00 98.81 0.25 53 G C C 19.84 10.92 13.04 25.29 126.25 -143.01 -87.72 177.01 88.15 11.81 0.03 87.72 0.52 0.08 0.00 0.02 0.00 11.23 0.43 54 K C T 174.05 0.94 15.30 15.79 91.18 -88.48 -63.70 -24.22 98.18 0.43 1.40 0.42 7.67 89.81 0.02 1.72 0.00 0.27 0.09 55 D C T 96.36 3.15 16.21 19.94 93.75 51.94 -89.85 6.95 98.65 0.08 1.27 0.32 6.21 91.73 0.01 1.67 0.00 0.04 0.02 56 H C S 68.02 12.94 15.20 28.69 93.56 -108.15 72.03 22.82 95.97 2.40 1.63 20.66 61.01 13.66 0.07 2.10 0.00 2.16 0.35 57 T C C 23.04 12.91 21.14 35.26 120.11 143.49 -87.45 144.29 55.08 44.92 0.01 55.76 0.47 0.02 0.00 0.00 0.00 42.99 0.74 58 L E E 3.35 25.51 19.52 46.12 115.24 -125.53 -88.95 131.16 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.85 0.02 59 F E E 45.38 12.56 27.11 40.16 128.32 -172.29 -125.59 144.60 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 60 A E E 5.78 23.60 14.86 39.05 113.26 -117.98 -78.97 133.81 6.24 93.76 0.00 6.46 0.08 0.00 0.00 0.00 0.00 93.15 0.30 61 K C S 105.98 6.01 23.14 29.81 95.21 -161.33 -86.46 -18.13 94.09 5.69 0.22 24.75 60.46 8.47 0.01 0.29 0.00 5.74 0.27 62 V C S 59.70 6.29 21.71 28.73 136.36 28.72 -138.01 161.87 95.22 4.56 0.22 2.40 80.55 12.58 0.01 0.20 0.00 3.97 0.30 63 D C C 86.09 6.56 21.39 28.56 112.86 -92.47 -67.71 140.16 94.63 5.12 0.25 50.40 36.62 7.23 0.01 0.37 0.00 5.10 0.27 64 G E E 10.82 11.18 20.46 33.51 143.07 92.72 162.40 -172.89 22.32 77.66 0.01 19.61 2.42 0.14 0.00 0.01 0.00 77.26 0.56 65 V E E 45.74 9.41 24.54 35.22 123.39 -71.25 -116.50 138.63 0.39 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.58 0.03 66 V E E 5.22 25.29 15.89 42.01 118.03 -149.36 -103.00 129.38 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 67 K E E 74.05 8.76 26.13 35.29 122.78 -168.49 -118.14 134.98 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 68 F E E 26.24 21.75 15.58 36.96 122.81 -156.23 -113.02 135.71 0.64 99.36 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 69 E E E 78.57 7.10 21.83 29.56 126.92 -173.66 -126.27 143.60 1.15 98.84 0.00 1.01 0.05 0.00 0.00 0.00 0.00 98.91 0.03 70 T E E 52.43 12.68 12.45 25.80 117.23 -137.77 -101.95 128.92 7.51 92.45 0.04 6.54 0.56 0.07 0.01 0.02 0.00 92.59 0.22 71 K E E 113.98 4.89 13.11 19.61 111.35 -169.58 -106.35 107.40 37.89 61.52 0.58 30.19 5.95 1.63 0.11 0.48 0.00 60.76 0.89 72 G C T 47.00 2.73 12.20 16.00 120.89 -12.13 86.50 -166.02 83.60 3.38 13.02 8.02 20.17 54.14 0.58 13.88 0.00 2.52 0.67 73 A C T 95.72 1.15 10.91 12.38 98.02 -29.70 -72.10 -20.73 85.12 0.77 14.11 3.99 11.97 66.93 0.58 15.71 0.00 0.49 0.32 74 F C T 148.67 2.31 10.61 13.95 98.29 44.21 -88.15 6.84 88.18 0.69 11.13 3.92 9.76 72.49 0.45 12.68 0.00 0.44 0.27 75 G C T 48.77 4.21 12.93 18.47 97.80 -115.26 72.13 18.92 95.99 2.60 1.41 22.18 13.41 60.30 0.13 1.44 0.00 2.21 0.33 76 R E E 97.06 8.25 12.86 22.70 118.89 149.11 -90.75 140.02 48.49 51.41 0.10 41.94 4.04 0.73 0.01 0.09 0.00 52.65 0.53 77 K E E 83.08 11.26 16.16 28.15 120.37 -146.71 -102.94 136.49 7.79 92.21 0.01 6.93 0.38 0.03 0.00 0.00 0.00 92.54 0.11 78 Y E E 60.43 13.13 19.41 33.20 129.64 -169.71 -125.60 147.44 0.60 99.40 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 79 V E E 19.12 20.21 17.75 38.12 123.43 -154.90 -117.77 134.76 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 80 S E E 29.57 10.75 24.34 35.75 127.52 -170.28 -119.38 144.69 0.44 99.56 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 81 I E E 29.88 19.73 16.55 36.23 120.15 -147.51 -112.29 129.24 0.90 99.10 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.17 0.02 82 V E E 54.89 9.02 19.11 29.28 123.79 -169.90 -118.45 136.76 4.14 95.85 0.00 3.80 0.17 0.01 0.00 0.00 0.00 95.89 0.13 83 A E E 63.55 6.78 15.98 23.90 114.23 -110.42 -70.69 144.47 24.44 75.51 0.05 23.98 0.45 0.08 0.01 0.03 0.00 74.97 0.48 84 A C C 55.62 10.99 13.25 24.60 110.76 -108.24 -74.02 141.09 99.62 0.37 0.01 99.60 0.09 0.03 0.00 0.00 0.00 0.27 0.01