# 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 126.47 3.79 11.51 17.06 117.30 -156.09 -100.93 133.83 99.71 0.27 0.03 99.72 0.08 0.03 0.01 0.00 0.00 0.13 0.03 1 A C C 78.65 3.92 8.48 14.38 114.15 -136.91 -88.67 133.76 83.22 11.44 5.34 78.19 1.56 3.65 3.08 1.61 0.00 9.01 2.89 2 H C C 143.35 2.66 8.49 13.07 115.14 -151.48 -100.13 134.01 71.84 20.40 7.76 50.04 14.35 7.00 4.51 3.65 0.03 15.92 4.50 3 K C C 149.24 2.57 9.21 13.76 114.51 -143.91 -95.71 132.27 68.41 22.30 9.30 48.77 13.19 5.80 5.38 4.34 0.03 17.60 4.89 4 K C C 142.53 3.35 9.66 15.08 114.31 -136.79 -91.74 136.07 72.91 16.93 10.16 53.37 11.38 7.51 5.34 5.01 0.01 13.74 3.63 5 A C C 75.67 4.43 9.54 15.79 114.10 -123.20 -83.97 139.21 80.19 10.67 9.14 50.87 15.50 13.68 3.91 5.21 0.01 8.26 2.55 6 A C C 84.23 3.00 10.14 14.86 113.56 -136.96 -93.56 133.01 82.97 8.99 8.04 39.93 22.45 21.47 2.65 5.03 0.01 6.07 2.37 7 G C C 50.61 3.58 11.49 16.50 116.13 27.41 116.63 173.90 84.69 9.68 5.62 43.32 25.44 16.68 1.49 4.11 0.01 6.31 2.65 8 S C C 74.86 4.63 11.22 17.45 116.63 -92.45 -94.22 138.74 78.16 13.89 7.96 53.56 15.37 8.88 2.79 5.40 0.01 8.80 5.19 9 S C C 66.68 5.91 10.57 18.03 115.14 -152.50 -98.14 134.44 74.87 12.44 12.70 47.67 15.26 12.03 3.67 9.19 0.02 8.09 4.08 10 R C C 163.70 3.40 11.86 16.76 104.13 -147.39 -85.87 27.40 73.29 9.62 17.09 30.47 19.86 24.85 4.01 11.84 0.06 5.78 3.12 11 N C T 100.99 4.72 12.27 18.31 103.03 84.34 -91.48 18.96 80.38 5.47 14.16 27.14 22.85 31.59 2.85 10.41 0.02 3.11 2.04 12 G C C 44.69 6.11 12.51 19.85 102.36 -106.98 79.33 5.26 86.98 5.27 7.75 40.71 25.61 21.00 1.29 6.51 0.00 3.01 1.87 13 R C C 128.27 6.37 12.35 20.26 117.22 122.91 -93.46 136.72 82.72 10.94 6.34 54.27 17.40 10.61 1.58 5.04 0.00 5.83 5.28 14 D C C 84.18 7.22 11.70 20.22 112.49 -136.22 -89.74 124.87 87.78 7.56 4.66 58.75 17.84 10.77 1.05 3.93 0.00 4.50 3.16 15 S C C 76.44 4.91 12.40 18.86 101.70 -162.66 -86.48 -4.13 92.89 4.34 2.77 46.62 36.21 10.17 0.56 2.28 0.00 2.37 1.79 16 N C C 108.17 3.36 14.99 19.53 110.50 73.23 -99.22 110.22 96.85 2.80 0.36 51.93 43.43 1.84 0.07 0.29 0.00 1.56 0.88 17 P C C 61.40 12.07 11.71 24.35 115.40 -135.06 -69.78 148.16 95.50 3.63 0.87 78.38 12.14 4.72 0.12 1.00 0.00 3.07 0.57 18 K C C 107.70 7.83 17.22 26.06 120.23 -148.38 -106.99 137.74 66.37 32.39 1.25 47.82 14.12 4.60 0.21 1.34 0.00 29.66 2.25 19 M E E 79.58 13.03 17.38 30.32 118.98 -139.25 -98.65 133.86 35.98 63.62 0.40 30.94 4.18 0.68 0.10 0.33 0.00 61.39 2.37 20 L E E 48.40 14.54 18.79 33.25 118.23 -161.78 -110.16 137.20 21.85 78.03 0.13 18.77 2.69 0.26 0.03 0.08 0.00 77.44 0.72 21 G E E 13.75 13.35 21.37 34.86 142.79 -69.99 128.31 -175.21 7.42 92.53 0.05 5.80 1.44 0.17 0.01 0.03 0.00 92.32 0.23 22 V E E 34.25 17.78 18.47 35.89 122.94 -67.21 -111.47 138.47 3.29 96.61 0.09 2.91 0.23 0.06 0.04 0.04 0.00 96.58 0.14 23 K E E 96.02 9.86 22.22 32.14 112.88 -148.27 -93.55 123.86 3.86 95.91 0.22 3.18 0.46 0.14 0.11 0.10 0.00 95.82 0.19 24 I E E 38.65 16.48 15.90 32.43 124.62 -158.18 -122.51 135.70 13.87 85.70 0.44 13.31 0.52 0.15 0.19 0.19 0.00 84.84 0.79 25 F C C 99.53 8.22 17.65 26.88 125.25 -172.64 -124.03 138.93 54.52 41.14 4.34 48.22 3.87 1.99 0.70 3.44 0.00 40.00 1.78 26 G C T 51.13 4.49 16.61 22.04 97.58 -4.71 58.31 44.36 90.57 3.84 5.58 1.13 6.86 83.26 0.09 5.42 0.00 2.97 0.27 27 G C T 50.51 5.21 15.80 22.03 96.42 -32.93 82.26 1.08 94.33 1.59 4.08 2.07 8.24 83.69 0.07 4.39 0.00 1.41 0.12 28 Q C C 85.55 7.58 16.08 25.20 119.62 133.67 -84.73 143.86 86.73 13.22 0.05 76.91 8.93 0.22 0.00 0.05 0.00 13.46 0.43 29 A E E 60.92 8.04 20.82 29.37 116.57 -118.00 -82.75 138.77 9.47 90.52 0.00 9.59 0.21 0.01 0.00 0.00 0.00 86.76 3.43 30 I E E 11.50 23.69 12.34 35.95 124.31 -163.28 -117.62 140.32 2.87 97.13 0.00 3.18 0.02 0.00 0.00 0.00 0.00 93.55 3.24 31 V C C 83.94 3.94 24.36 28.30 123.62 -151.36 -105.67 148.99 62.92 37.07 0.01 64.42 0.32 0.02 0.00 0.00 0.00 34.19 1.04 32 A C T 54.82 12.46 14.86 27.67 109.76 -85.79 -58.82 134.23 99.11 0.75 0.14 0.08 1.22 98.23 0.00 0.08 0.00 0.35 0.04 33 G C T 41.55 5.52 20.24 26.72 95.94 23.52 89.48 -6.21 99.66 0.26 0.09 0.14 1.69 97.91 0.00 0.08 0.00 0.17 0.01 34 N C C 60.92 10.33 20.29 31.14 117.22 123.96 -80.01 141.83 89.43 10.48 0.09 85.75 3.13 0.13 0.01 0.09 0.00 10.52 0.38 35 I E E 48.82 16.87 19.86 36.29 110.55 -120.20 -79.24 123.19 2.17 97.83 0.00 2.26 0.04 0.00 0.00 0.00 0.00 97.04 0.66 36 I E E 17.21 20.88 21.62 42.38 100.96 176.01 -94.81 -33.55 1.10 98.90 0.00 0.79 0.18 0.01 0.00 0.00 0.00 99.01 0.01 37 V E E 13.13 20.60 22.02 42.38 136.82 6.55 -148.14 144.99 0.79 99.21 0.00 0.66 0.05 0.01 0.00 0.00 0.00 99.26 0.02 38 R E E 84.38 14.26 22.37 35.83 122.82 -161.66 -118.02 130.70 7.58 92.38 0.04 6.76 0.47 0.07 0.01 0.02 0.00 92.47 0.21 39 Q E E 52.63 15.58 17.22 32.57 116.20 -153.38 -98.72 127.56 39.41 59.93 0.67 28.35 9.92 2.45 0.12 0.62 0.00 57.36 1.17 40 R C C 125.45 8.29 16.83 25.92 113.19 -158.82 -94.95 127.39 74.55 23.94 1.51 32.31 25.87 17.55 0.17 1.56 0.00 20.75 1.80 41 G C S 45.13 4.97 16.94 22.74 108.10 18.57 89.82 -15.45 92.23 6.78 1.00 27.62 43.31 21.21 0.08 1.18 0.00 5.88 0.71 42 T C C 70.72 9.48 14.07 24.42 115.89 86.99 -100.03 133.76 89.32 9.25 1.44 61.53 23.03 4.83 0.19 1.52 0.00 7.30 1.59 43 E C C 121.57 4.95 19.36 25.08 109.33 80.24 -88.68 111.61 86.03 13.09 0.88 66.78 16.48 2.51 0.17 0.87 0.00 11.25 1.93 44 F C C 45.31 20.43 12.60 32.00 117.26 -111.77 -96.51 130.43 68.95 30.63 0.42 60.76 6.75 0.92 0.11 0.36 0.00 24.52 6.57 45 H C C 104.05 6.20 23.19 29.97 117.73 -166.73 -113.84 124.86 62.28 37.55 0.16 59.50 2.27 0.34 0.06 0.13 0.00 31.65 6.06 46 A C C 44.01 16.79 14.83 30.75 115.27 -127.28 -72.16 142.89 76.45 23.33 0.22 72.03 3.76 0.56 0.10 0.17 0.00 19.35 4.04 47 G C C 22.51 10.16 17.08 28.10 132.08 -148.43 -102.73 -172.36 94.64 5.13 0.24 84.77 8.75 1.36 0.07 0.20 0.00 2.65 2.21 48 A C T 90.62 1.90 19.71 21.54 108.40 -62.60 -63.53 133.40 97.81 1.78 0.41 0.71 13.95 83.48 0.02 0.35 0.00 1.23 0.25 49 G C T 32.37 10.37 18.43 29.10 95.16 19.73 85.06 -1.88 97.99 1.86 0.15 1.17 12.27 84.60 0.00 0.18 0.00 1.69 0.09 50 V E E 16.81 22.05 13.02 34.77 124.42 101.31 -109.24 140.14 16.65 83.33 0.02 14.38 1.39 0.07 0.00 0.01 0.00 83.70 0.43 51 G E E 21.87 7.91 24.62 33.17 140.92 171.50 -146.82 174.14 0.81 99.18 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.20 0.04 52 M E E 79.53 14.57 16.96 31.17 123.55 -107.28 -113.36 137.72 1.11 98.88 0.00 1.16 0.02 0.00 0.00 0.00 0.00 98.40 0.42 53 G C C 18.97 11.69 13.17 26.03 126.21 -142.02 -87.51 173.00 89.65 10.31 0.04 89.11 0.58 0.10 0.00 0.02 0.00 9.72 0.45 54 R C T 192.35 1.15 16.07 16.97 91.04 -89.16 -63.69 -24.63 97.33 0.66 2.01 0.58 9.25 87.10 0.03 2.49 0.00 0.43 0.13 55 D C T 89.62 4.23 16.73 21.85 93.74 52.16 -90.42 7.71 97.99 0.10 1.92 0.38 7.24 89.79 0.02 2.50 0.00 0.05 0.02 56 H C S 62.92 13.50 15.91 29.90 93.45 -109.06 71.65 21.66 95.67 2.21 2.12 18.27 61.51 14.96 0.07 2.90 0.00 1.97 0.33 57 T E E 20.22 14.01 21.72 36.80 119.95 142.35 -88.20 143.30 48.35 51.64 0.01 49.13 0.48 0.02 0.00 0.01 0.00 49.54 0.81 58 L E E 2.63 25.88 20.62 47.55 116.23 -132.28 -94.77 130.67 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.01 59 F E E 39.33 13.74 27.71 41.87 128.56 -172.04 -125.04 144.54 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 4.83 24.04 16.02 40.81 112.11 -116.62 -77.86 131.08 5.07 94.92 0.00 5.24 0.06 0.00 0.00 0.00 0.00 94.42 0.27 61 L C S 74.33 7.78 23.38 32.01 96.03 -163.00 -87.65 -22.68 91.82 7.97 0.21 34.00 52.01 5.06 0.01 0.28 0.00 8.33 0.31 62 N C S 62.54 5.97 22.92 29.40 138.29 22.10 -141.92 161.92 93.28 6.51 0.21 3.19 80.33 10.03 0.01 0.20 0.00 5.92 0.33 63 D C C 86.22 7.02 21.28 28.98 113.05 -91.03 -67.29 140.57 94.68 5.12 0.20 55.83 32.70 5.68 0.01 0.30 0.00 5.26 0.22 64 G E E 11.59 10.65 20.67 33.28 143.00 97.87 165.08 -173.16 25.62 74.37 0.01 22.09 3.22 0.16 0.00 0.01 0.00 73.94 0.58 65 V E E 47.98 9.12 24.49 34.80 123.30 -66.25 -116.91 138.29 0.50 99.50 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.48 0.04 66 V E E 5.25 25.20 15.78 41.72 119.77 -158.11 -109.54 130.76 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 67 K E E 79.02 8.37 26.15 34.90 121.27 -166.03 -114.21 132.60 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 68 F E E 25.00 21.52 15.80 36.95 123.32 -161.02 -112.14 136.69 1.10 98.89 0.00 0.94 0.04 0.00 0.00 0.00 0.00 98.99 0.02 69 A E E 36.46 8.38 20.98 30.43 130.02 -173.42 -129.00 149.56 2.61 97.38 0.02 2.28 0.14 0.02 0.00 0.01 0.00 97.49 0.06 70 T E E 53.54 11.73 13.18 25.83 119.00 -140.85 -106.94 131.85 10.35 89.58 0.08 8.97 0.90 0.14 0.01 0.05 0.00 89.58 0.34 71 K E E 112.68 5.27 12.48 19.46 113.51 -158.65 -102.05 122.60 39.30 59.73 0.97 30.33 6.91 2.45 0.18 0.80 0.00 58.36 0.97 72 G C T 48.49 2.76 11.09 15.07 119.00 -1.86 81.88 -160.79 79.22 8.59 12.20 17.67 22.71 39.23 0.78 11.59 0.00 7.07 0.95 73 K C T 173.14 0.72 10.86 11.21 99.58 -33.65 -75.48 -19.38 81.30 2.58 16.12 10.53 18.64 51.17 1.04 16.10 0.00 1.78 0.74 74 F C T 144.85 2.42 9.78 13.34 103.01 37.35 -90.85 31.75 85.78 1.33 12.89 9.06 16.47 58.61 0.79 13.73 0.00 0.86 0.47 75 N C T 119.03 3.14 11.82 16.50 98.71 -114.36 34.33 43.41 94.83 3.14 2.03 18.63 18.49 57.47 0.15 2.16 0.00 2.71 0.38 76 R E E 98.51 7.78 12.40 21.84 121.36 146.40 -103.93 143.55 47.46 52.31 0.24 38.33 6.40 1.55 0.03 0.23 0.00 52.68 0.77 77 R E E 87.69 11.72 15.27 27.77 118.51 -137.28 -101.35 134.40 13.63 86.36 0.02 12.17 0.76 0.07 0.00 0.01 0.00 86.79 0.20 78 Y E E 63.55 11.80 19.87 32.56 127.57 -167.04 -120.05 144.33 1.23 98.77 0.00 1.10 0.04 0.00 0.00 0.00 0.00 98.82 0.02 79 V E E 13.97 21.71 16.60 38.48 123.83 -156.97 -117.95 134.91 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 80 M E E 59.68 9.15 25.22 34.92 123.73 -162.21 -113.47 139.79 0.26 99.74 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 81 V E E 21.35 21.22 15.39 36.57 118.93 -146.72 -106.58 129.00 0.70 99.30 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.35 0.01 82 E E E 76.56 7.89 19.49 28.29 126.35 -171.92 -121.96 144.22 5.07 94.92 0.01 4.60 0.21 0.01 0.00 0.00 0.00 95.04 0.13 83 E E E 121.51 5.50 16.11 23.15 113.37 -106.36 -72.41 139.79 25.06 74.81 0.13 24.15 0.64 0.18 0.03 0.09 0.00 74.43 0.49 84 A C C 50.69 12.31 12.84 25.19 111.61 -113.79 -79.89 141.75 99.64 0.34 0.02 99.60 0.09 0.03 0.00 0.00 0.00 0.25 0.01