# 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 A C C 57.46 11.00 15.16 26.33 117.20 140.52 -92.91 138.83 99.64 0.34 0.01 99.59 0.11 0.05 0.00 0.00 0.00 0.22 0.02 1 G C C 38.61 6.65 14.76 22.57 125.44 100.25 127.67 170.85 77.78 21.64 0.58 71.28 2.36 3.11 0.17 0.34 0.00 20.86 1.88 2 K C C 143.32 3.71 14.95 20.16 114.66 -86.46 -93.97 130.06 60.01 39.32 0.67 41.28 15.73 3.49 0.20 0.62 0.00 34.54 4.14 3 I C C 65.76 12.75 11.50 24.90 117.48 -153.47 -100.50 126.66 62.91 36.85 0.24 49.40 12.55 0.56 0.09 0.18 0.00 34.45 2.77 4 P C C 68.84 7.06 16.20 24.42 113.04 -115.74 -69.38 143.68 68.17 30.61 1.21 62.67 3.46 1.10 0.56 0.61 0.00 28.65 2.95 5 T C C 64.30 11.48 12.04 23.98 115.05 -153.90 -102.31 131.98 69.61 24.43 5.97 54.04 9.37 5.01 2.97 3.21 0.03 18.32 7.06 6 T C C 91.87 4.36 15.06 20.53 107.22 -161.28 -96.89 22.69 69.65 20.75 9.61 40.43 19.14 11.57 3.70 5.66 0.10 14.84 4.56 7 T C C 76.86 7.01 12.37 20.65 111.84 83.61 -99.11 124.63 70.72 15.96 13.32 32.33 21.22 19.54 4.41 7.96 0.14 10.48 3.91 8 M C T 114.85 6.19 12.71 20.05 107.76 -114.66 -90.42 87.78 78.44 9.66 11.90 27.26 22.02 30.89 3.31 7.61 0.07 5.86 2.98 9 G C T 50.71 4.41 13.95 19.50 107.79 -28.07 84.31 17.81 89.19 3.74 7.07 22.91 24.02 42.77 1.28 5.50 0.00 2.31 1.21 10 G C C 45.63 5.82 13.40 20.41 112.24 -17.43 101.43 8.22 86.92 8.66 4.43 33.13 28.74 25.90 0.62 3.92 0.00 5.82 1.87 11 K C C 117.88 6.77 14.75 22.60 116.89 -51.91 -96.99 137.60 76.06 20.76 3.19 43.99 22.32 10.47 0.59 2.91 0.01 16.45 3.25 12 D C C 87.84 7.26 15.87 24.13 116.84 -141.55 -100.16 132.80 67.90 30.11 2.00 43.17 18.77 6.72 0.33 1.84 0.00 27.08 2.08 13 F E E 55.62 16.63 12.72 29.25 126.37 -168.84 -120.46 141.10 47.11 52.29 0.60 39.48 5.81 1.26 0.13 0.48 0.00 51.41 1.42 14 T E E 70.60 6.34 21.51 28.62 119.62 -154.75 -111.79 130.76 21.85 77.83 0.33 18.36 3.23 0.69 0.10 0.23 0.00 75.88 1.53 15 F E E 41.61 20.40 13.68 33.74 120.18 -160.68 -110.49 130.84 18.61 81.25 0.14 16.58 1.67 0.20 0.07 0.09 0.00 77.31 4.08 16 K E E 107.58 5.72 22.92 29.33 119.14 -167.20 -117.31 124.68 49.66 50.26 0.08 45.56 2.54 0.21 0.02 0.06 0.00 50.55 1.07 17 P C C 57.01 14.92 14.93 29.48 115.01 -119.24 -67.70 146.52 66.04 33.03 0.93 48.35 14.38 3.19 0.18 0.88 0.00 31.04 1.98 18 S C C 35.34 12.87 14.86 28.10 121.73 -136.14 -97.85 156.18 82.99 15.59 1.43 67.80 10.63 3.95 0.33 1.31 0.00 11.42 4.56 19 T C T 100.70 3.28 18.63 22.32 108.39 -105.53 -82.19 115.79 87.92 10.37 1.70 5.13 28.56 55.12 0.12 1.58 0.00 8.08 1.40 20 N C T 92.50 6.65 18.00 25.23 99.12 30.21 -80.79 23.68 87.40 11.76 0.84 6.28 26.04 55.16 0.04 0.87 0.00 11.04 0.56 21 V E E 23.14 20.23 12.38 32.34 124.98 96.48 -116.58 139.16 34.54 65.37 0.10 29.93 3.69 0.34 0.02 0.09 0.00 64.99 0.95 22 S E E 44.30 8.35 24.06 32.82 126.41 -164.85 -119.30 144.73 8.69 91.29 0.02 7.92 0.45 0.04 0.00 0.01 0.00 91.30 0.28 23 V E E 33.07 20.62 16.94 36.98 122.90 -155.06 -116.38 132.15 3.89 96.10 0.01 3.33 0.25 0.02 0.00 0.00 0.00 96.28 0.11 24 S E E 33.67 10.79 22.83 34.21 126.88 -172.62 -123.56 143.50 4.15 95.83 0.02 3.35 0.42 0.05 0.00 0.01 0.00 96.09 0.08 25 Y E E 60.93 17.72 17.80 35.08 124.58 -157.72 -120.58 135.58 5.62 94.35 0.03 4.79 0.59 0.06 0.01 0.02 0.00 94.19 0.35 26 F E E 70.37 10.93 19.82 31.51 122.14 -168.76 -117.05 134.57 17.85 82.03 0.12 14.74 2.49 0.38 0.03 0.09 0.00 81.69 0.58 27 T E E 48.20 12.14 15.84 28.62 120.47 -154.20 -103.49 144.59 47.47 51.88 0.65 37.32 7.90 2.02 0.13 0.54 0.00 51.01 1.09 28 T C C 74.33 8.09 15.05 24.04 105.92 -146.85 -90.16 20.55 73.23 24.74 2.03 39.32 22.28 13.02 0.36 1.76 0.01 21.06 2.19 29 N C S 108.31 3.68 14.88 19.46 104.87 50.94 -92.70 45.29 85.14 11.08 3.79 28.09 30.82 27.27 0.93 2.83 0.01 7.88 2.18 30 G C C 41.17 6.06 13.15 20.45 115.93 -77.82 95.85 78.11 85.21 8.34 6.44 33.05 29.68 23.27 2.97 3.55 0.01 5.30 2.18 31 A C C 70.80 5.67 12.42 19.38 108.64 -67.95 -83.24 125.66 76.62 13.28 10.11 40.91 20.88 15.76 4.91 5.10 0.06 8.24 4.14 32 T C C 88.46 4.52 13.00 18.91 114.70 -132.43 -98.19 133.61 70.88 17.23 11.89 39.38 18.46 13.97 6.07 5.72 0.06 10.57 5.76 33 S C C 66.21 7.51 10.66 19.38 111.14 -145.55 -92.09 112.74 71.45 13.68 14.87 34.59 20.80 17.81 7.20 7.04 0.07 8.37 4.12 34 T C C 100.03 2.82 12.61 16.62 108.96 -147.25 -92.08 90.28 74.02 9.86 16.12 31.88 22.28 21.58 7.52 7.74 0.07 5.64 3.31 35 A C T 77.93 3.95 11.36 17.00 108.18 -97.89 -80.28 113.92 79.89 6.06 14.05 20.49 20.68 39.36 5.58 7.94 0.05 3.56 2.33 36 G C T 50.19 3.73 13.53 18.43 106.58 13.67 86.70 -1.06 85.23 7.27 7.50 27.08 22.63 36.49 2.49 4.74 0.01 4.72 1.84 37 T C C 78.35 7.22 12.92 21.43 112.27 116.20 -97.57 118.75 79.21 15.85 4.95 48.49 19.96 10.91 1.39 3.84 0.01 10.21 5.18 38 V C C 79.44 7.90 15.26 24.25 116.61 -156.84 -104.15 132.64 76.56 20.38 3.06 42.66 24.88 10.03 0.76 2.51 0.01 14.53 4.62 39 N C C 82.02 9.76 16.92 27.08 111.90 -128.83 -87.91 120.67 78.11 19.55 2.34 47.95 19.96 10.60 0.45 2.11 0.00 16.43 2.50 40 T C C 40.59 14.90 16.49 31.51 121.83 -170.40 -113.14 136.05 64.72 33.67 1.60 48.54 12.07 4.12 0.38 1.41 0.00 30.42 3.06 41 D C E 56.34 12.00 21.34 33.28 118.69 -153.04 -109.36 135.75 53.90 45.29 0.81 29.24 21.46 3.99 0.12 0.75 0.00 43.48 0.97 42 Y E E 28.65 20.08 19.11 38.77 133.28 -175.13 -135.62 151.37 17.33 82.38 0.29 13.52 3.18 0.77 0.05 0.24 0.00 81.83 0.40 43 A E E 22.64 14.61 24.56 39.42 126.37 -156.94 -122.96 139.45 3.72 96.26 0.03 3.30 0.23 0.03 0.01 0.01 0.00 96.30 0.13 44 V E E 10.12 22.95 21.25 43.93 122.48 -161.12 -117.29 131.39 1.07 98.93 0.00 0.92 0.05 0.00 0.00 0.00 0.00 99.00 0.03 45 N E E 39.88 13.51 25.39 38.91 125.78 -170.83 -120.16 138.54 1.32 98.67 0.00 1.10 0.06 0.00 0.00 0.00 0.00 98.82 0.02 46 T E E 14.87 20.39 19.69 39.75 131.81 -173.61 -131.56 146.98 2.06 97.93 0.00 1.71 0.12 0.00 0.00 0.00 0.00 98.14 0.03 47 K E E 85.25 10.00 21.72 32.19 122.78 -154.76 -117.05 134.16 2.67 97.32 0.01 2.44 0.16 0.01 0.00 0.00 0.00 96.54 0.85 48 N C C 29.94 15.21 12.83 28.48 124.07 -138.18 -85.64 171.39 73.08 26.81 0.11 71.77 1.10 0.22 0.02 0.08 0.00 24.77 2.04 49 S C T 91.06 2.71 14.23 18.05 90.32 -96.52 -63.58 -22.83 99.31 0.26 0.43 0.49 5.58 93.24 0.01 0.45 0.00 0.19 0.04 50 S C T 79.87 2.15 14.36 16.96 92.89 57.28 -86.47 -1.14 99.16 0.19 0.65 0.34 5.71 93.13 0.01 0.67 0.00 0.10 0.04 51 G C S 40.19 5.40 15.03 21.81 98.96 -100.47 90.83 4.74 98.59 1.05 0.36 15.52 82.04 1.31 0.03 0.25 0.00 0.55 0.31 52 N C C 59.21 9.39 16.11 26.97 117.29 135.43 -76.74 142.04 96.71 3.24 0.05 90.83 5.52 0.45 0.01 0.05 0.00 2.74 0.41 53 R E E 74.74 14.60 18.59 33.25 119.62 -142.76 -106.54 132.06 5.79 94.19 0.01 5.50 0.32 0.02 0.00 0.00 0.00 93.01 1.13 54 V E E 28.55 16.03 21.66 37.80 121.34 -168.09 -116.21 129.83 2.14 97.86 0.00 1.86 0.13 0.01 0.00 0.00 0.00 97.93 0.07 55 F E E 29.34 19.99 21.34 40.44 127.79 -167.23 -122.32 139.17 1.81 98.19 0.00 1.59 0.09 0.01 0.00 0.00 0.00 98.23 0.08 56 T E E 35.11 14.01 23.67 37.66 132.76 -175.25 -133.49 148.86 6.16 93.81 0.02 5.38 0.49 0.06 0.00 0.02 0.00 93.85 0.21 57 S E E 21.37 17.54 17.32 34.63 131.65 -168.89 -130.75 152.81 23.39 76.47 0.14 19.99 2.62 0.38 0.03 0.11 0.00 75.65 1.22 58 T C C 65.04 8.83 19.03 28.36 114.05 -159.16 -109.90 124.23 64.25 34.76 0.99 32.91 24.70 7.63 0.15 0.96 0.00 31.69 1.97 59 N C S 96.84 5.67 17.90 24.24 99.64 0.47 27.00 35.52 93.71 4.68 1.61 8.76 50.68 34.56 0.12 1.48 0.00 3.66 0.73 60 N C S 107.53 6.27 17.26 24.44 96.51 -60.22 67.40 8.87 93.85 4.23 1.91 9.34 50.01 34.76 0.14 1.77 0.00 3.26 0.72 61 T C C 59.30 8.72 18.97 28.63 121.98 97.87 -111.00 137.76 63.52 35.03 1.45 31.23 25.11 9.07 0.24 1.37 0.01 30.35 2.62 62 S E E 22.28 19.10 17.30 35.77 119.43 -150.92 -106.33 135.02 46.83 52.26 0.91 36.12 7.55 2.63 0.16 0.83 0.00 51.26 1.44 63 N E E 42.85 13.62 25.06 38.68 124.98 -167.39 -118.02 137.32 24.76 74.59 0.65 19.95 4.14 1.03 0.17 0.48 0.00 73.35 0.88 64 I E E 10.63 23.30 21.36 44.47 118.70 -157.42 -108.08 127.61 10.39 89.41 0.20 7.80 2.22 0.38 0.06 0.10 0.00 89.08 0.36 65 W E E 27.08 17.51 24.22 41.59 133.28 -169.64 -131.47 153.13 4.13 95.75 0.12 3.40 0.45 0.10 0.04 0.05 0.00 95.73 0.23 66 Y E E 37.32 17.06 21.35 38.47 127.88 -151.55 -122.36 142.71 5.26 94.53 0.20 4.55 0.47 0.14 0.06 0.09 0.00 94.28 0.40 67 I E E 34.26 14.82 17.03 32.83 116.99 -142.34 -102.83 128.35 18.80 80.61 0.58 15.57 2.77 0.75 0.18 0.34 0.00 79.32 1.07 68 E C E 96.05 8.25 16.31 25.40 112.15 -159.37 -94.41 122.04 51.65 46.88 1.47 33.21 12.34 6.69 0.30 1.13 0.00 45.10 1.24 69 N C S 100.30 3.86 15.01 19.68 117.25 6.14 -119.02 123.29 82.84 14.50 2.66 21.20 32.16 30.11 0.39 2.17 0.00 12.67 1.30 70 D C T 107.55 3.64 13.18 18.16 101.92 -75.66 -71.69 43.00 91.65 4.22 4.13 15.90 36.05 40.19 0.63 3.27 0.00 2.92 1.03 71 A C T 73.69 4.18 14.23 19.26 100.61 32.36 -83.72 -13.06 89.78 6.59 3.63 11.54 32.10 46.70 0.46 3.04 0.01 5.08 1.08 72 W C T 97.48 12.53 12.09 24.78 114.29 41.43 -109.50 115.82 68.87 28.38 2.75 22.50 22.32 26.14 0.46 2.24 0.02 24.01 2.31 73 K C E 116.52 5.56 18.65 25.35 118.92 -164.87 -103.73 134.17 51.69 46.72 1.59 33.78 12.55 6.99 0.40 1.31 0.01 41.46 3.50 74 G E E 20.54 18.53 11.61 28.72 124.78 -150.50 -95.94 161.32 46.18 52.98 0.84 30.38 12.88 4.38 0.16 0.71 0.00 50.22 1.27 75 K E E 119.60 4.55 22.44 27.58 122.84 -126.31 -111.81 141.42 30.64 68.57 0.79 24.75 4.98 1.38 0.25 0.55 0.00 66.03 2.05 76 A E E 52.69 14.72 15.20 29.40 115.41 -113.23 -73.83 139.81 26.48 72.66 0.86 22.53 2.95 0.90 0.39 0.52 0.00 68.39 4.33 77 V E E 43.43 13.71 16.09 30.50 121.78 -155.63 -109.43 134.52 46.50 52.74 0.76 40.03 4.59 1.16 0.25 0.54 0.00 51.01 2.41 78 S C C 70.35 7.03 17.47 25.97 122.09 -155.51 -112.81 141.95 57.15 41.93 0.92 44.68 9.47 2.30 0.27 0.76 0.00 38.94 3.57 79 D C C 51.97 12.74 12.72 25.92 122.53 -163.63 -126.99 138.73 79.46 18.35 2.19 60.14 14.40 4.53 0.68 1.55 0.00 16.21 2.48 80 S C T 86.80 3.15 15.81 19.77 96.65 -151.88 -81.10 -11.08 83.73 9.25 7.02 29.85 23.90 31.24 1.96 4.48 0.01 7.04 1.52 81 D C T 99.74 4.14 16.14 21.07 97.97 57.03 -90.68 -0.43 79.65 12.84 7.51 25.78 24.03 31.32 2.15 4.67 0.03 10.33 1.69 82 V C C 44.45 15.68 11.35 26.70 118.44 85.52 -106.62 127.41 57.77 36.23 6.00 36.69 14.19 8.03 2.54 3.56 0.05 30.75 4.19 83 T E E 79.29 6.51 18.97 26.24 109.60 -158.37 -101.56 67.18 46.37 48.93 4.70 32.44 9.93 5.10 2.48 2.51 0.04 42.81 4.69 84 A E E 44.13 12.90 16.30 29.27 118.30 -131.53 -97.25 134.99 47.97 48.11 3.92 35.62 9.18 3.98 1.87 2.14 0.02 43.97 3.23 85 L C E 78.73 11.17 17.37 28.78 113.22 -137.89 -93.04 129.21 52.72 43.13 4.15 31.98 12.17 11.00 1.51 2.55 0.03 38.01 2.75 86 G C C 32.18 10.51 16.81 27.62 120.12 -11.66 122.31 154.49 64.95 32.74 2.31 32.06 21.51 13.63 0.55 1.76 0.01 28.04 2.45 87 T C C 79.68 7.66 17.60 25.96 117.66 -89.11 -103.55 138.82 69.50 28.20 2.30 44.07 18.49 7.38 0.67 1.88 0.01 22.53 4.98 88 G C C 32.86 11.88 13.33 25.29 117.53 -143.48 -95.27 157.08 75.86 20.58 3.55 44.49 19.59 12.55 0.85 2.88 0.01 15.99 3.63 89 D C C 95.46 5.24 15.73 21.93 108.45 -137.17 -92.65 90.35 79.99 15.19 4.82 40.03 23.66 17.49 1.06 3.82 0.01 10.45 3.49 90 V C T 89.31 7.85 12.77 21.49 108.89 -123.91 -85.43 98.69 80.18 12.03 7.79 22.84 23.50 35.33 1.73 5.57 0.04 7.72 3.26 91 G C T 50.91 4.13 14.62 19.82 106.17 -7.11 83.07 -12.79 84.81 8.97 6.22 22.91 26.23 36.77 1.11 4.81 0.01 6.20 1.95 92 K C C 124.74 5.31 13.31 19.95 110.41 59.61 -95.51 108.27 75.97 17.32 6.71 39.03 22.32 15.63 1.64 5.17 0.03 11.70 4.47 93 S C C 63.28 8.45 13.32 22.62 114.97 -145.83 -97.05 132.07 71.45 22.75 5.80 43.54 17.29 10.83 1.72 4.30 0.02 17.24 5.05 94 D C C 91.43 5.93 16.41 23.29 111.75 -135.61 -97.64 116.45 68.94 24.93 6.13 42.25 15.88 11.47 1.73 4.51 0.02 20.01 4.12 95 F C C 76.32 15.04 11.95 26.46 112.69 -155.99 -96.75 120.23 64.51 28.91 6.58 37.34 14.82 13.93 2.01 4.52 0.04 22.54 4.80 96 S C C 68.63 5.57 16.67 23.32 116.36 161.19 -105.75 136.91 69.11 25.34 5.55 32.12 19.77 19.30 1.61 3.70 0.04 19.99 3.46 97 G C C 38.71 8.74 14.44 23.90 119.46 47.77 115.11 167.00 73.71 21.35 4.94 31.36 28.44 15.79 1.36 3.33 0.03 16.81 2.87 98 T C C 84.45 6.42 14.65 22.28 114.45 -132.30 -101.23 131.31 71.04 21.83 7.13 37.97 21.95 12.49 2.38 4.41 0.03 17.93 2.83 99 E C C 114.09 5.95 15.22 22.36 115.94 -135.68 -94.06 129.17 62.14 28.81 9.05 36.04 15.46 12.15 3.08 5.58 0.05 24.66 2.97 100 W C C 100.75 13.53 10.54 24.05 117.32 -151.52 -99.41 133.64 55.91 34.74 9.34 37.57 10.42 8.86 3.61 5.68 0.05 30.06 3.76 101 K C C 126.33 4.48 14.67 20.76 120.22 -164.74 -111.76 138.19 56.34 35.44 8.22 36.21 11.16 10.01 3.24 4.89 0.06 30.15 4.29 102 S C C 69.80 7.07 9.96 18.48 115.32 -127.83 -88.21 138.50 72.65 23.39 3.96 62.31 3.40 5.95 1.49 2.03 0.00 21.65 3.16 103 Q C C 123.47 4.27 12.98 18.86 111.12 -150.81 -95.15 122.57 99.54 0.44 0.02 99.44 0.14 0.07 0.01 0.00 0.00 0.31 0.03