# 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 T C C 37.57 14.41 20.29 34.64 118.50 -159.49 -108.68 136.04 99.19 0.81 0.00 99.13 0.16 0.01 0.00 0.00 0.00 0.67 0.01 1 Y E E 54.37 13.93 21.18 35.32 130.38 -170.06 -125.86 148.26 7.11 92.89 0.00 7.00 0.15 0.01 0.00 0.00 0.00 92.70 0.15 2 A E E 5.59 21.43 19.43 41.17 127.50 -163.69 -127.03 144.65 0.44 99.56 0.00 0.41 0.00 0.00 0.00 0.00 0.00 99.58 0.00 3 I E E 27.48 13.58 24.92 39.35 117.30 -145.38 -107.77 126.81 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 4 V E E 5.58 23.23 18.20 41.81 123.93 -169.81 -118.04 136.17 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 5 K E E 78.47 8.53 23.04 32.11 115.11 -144.56 -100.92 124.26 1.00 99.00 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.14 0.00 6 T E E 21.16 18.81 12.27 30.67 119.58 174.07 -131.48 120.86 8.19 91.74 0.06 5.24 1.91 0.59 0.01 0.08 0.00 91.98 0.20 7 G C T 53.10 4.29 15.63 21.08 95.48 -20.44 57.72 35.37 99.32 0.42 0.26 0.34 5.60 93.44 0.00 0.29 0.00 0.29 0.03 8 G C T 64.51 1.05 14.91 15.39 96.00 -43.42 81.16 1.33 99.69 0.14 0.17 0.43 6.01 93.25 0.00 0.20 0.00 0.10 0.01 9 K E E 112.29 4.42 14.40 20.85 125.06 101.09 -111.66 145.02 6.25 93.75 0.01 4.80 0.88 0.04 0.00 0.00 0.00 94.16 0.11 10 Q E E 98.34 9.48 14.10 24.86 121.02 -137.65 -106.40 134.59 1.33 98.67 0.00 1.15 0.03 0.00 0.00 0.00 0.00 98.81 0.01 11 Y E E 50.16 14.74 16.26 31.81 129.03 -173.73 -130.51 143.45 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 12 K E E 108.56 7.30 23.38 31.40 115.74 -132.83 -93.20 130.28 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 13 V E E 7.23 23.94 14.05 38.22 128.03 -174.74 -125.79 144.95 0.59 99.41 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.39 0.03 14 A E E 41.10 6.84 24.09 31.10 126.64 -149.80 -103.03 159.84 46.32 53.67 0.01 46.28 0.59 0.04 0.00 0.01 0.00 52.44 0.64 15 A C T 58.09 11.45 15.26 27.21 109.61 -81.56 -58.93 134.69 99.34 0.51 0.15 0.13 1.29 98.18 0.00 0.08 0.00 0.26 0.04 16 G C T 51.37 2.81 19.52 22.65 95.55 22.77 88.33 -6.10 99.79 0.13 0.09 0.17 1.49 98.18 0.00 0.07 0.00 0.08 0.01 17 D C C 52.04 11.43 15.24 27.75 119.66 127.04 -76.62 148.50 95.96 4.00 0.04 90.12 5.79 0.11 0.01 0.03 0.00 3.57 0.37 18 V E E 74.85 8.97 20.13 29.89 117.40 -135.19 -103.10 128.73 14.78 85.17 0.04 15.26 0.23 0.02 0.02 0.01 0.00 82.53 1.92 19 V E E 14.39 22.07 14.51 36.43 123.19 -168.71 -117.60 135.78 5.13 94.82 0.05 4.86 0.18 0.03 0.02 0.02 0.00 94.75 0.15 20 K E E 113.03 5.73 24.13 30.59 116.49 -148.07 -102.72 128.24 3.42 96.50 0.09 3.24 0.16 0.04 0.05 0.03 0.00 96.34 0.14 21 V E E 15.27 22.86 12.76 35.38 118.48 -165.64 -110.14 123.70 13.84 85.57 0.59 13.64 0.47 0.17 0.35 0.21 0.00 84.78 0.40 22 E E E 96.10 5.40 21.99 27.43 117.58 -143.83 -87.44 151.68 43.12 55.80 1.08 26.69 13.07 2.88 0.26 0.81 0.00 55.86 0.43 23 K C C 117.21 8.02 18.96 27.68 111.59 -54.82 -73.60 125.62 57.21 41.88 0.91 43.31 10.85 2.59 0.16 0.80 0.00 41.26 1.01 24 L C C 32.59 19.50 11.39 30.18 121.26 -166.52 -110.74 134.48 68.76 30.78 0.47 64.44 3.40 0.57 0.14 0.35 0.00 25.95 5.15 25 D C C 116.68 1.79 21.47 22.66 104.94 -144.92 -91.98 85.06 92.59 7.26 0.15 80.49 10.67 1.47 0.03 0.16 0.00 6.24 0.93 26 S C C 29.83 13.87 12.00 26.43 136.43 114.14 -136.50 164.18 96.72 3.23 0.06 76.30 20.25 0.55 0.01 0.06 0.00 1.10 1.73 27 E C C 128.92 2.04 20.58 21.79 118.18 -98.59 -81.10 148.75 99.77 0.20 0.03 95.32 4.26 0.19 0.01 0.01 0.00 0.06 0.14 28 P C T 77.87 10.27 12.42 23.64 110.22 -87.68 -59.26 135.70 99.74 0.12 0.14 0.38 2.27 97.16 0.01 0.09 0.00 0.06 0.03 29 G C T 53.02 2.46 17.53 20.49 95.86 23.79 87.72 -5.79 99.75 0.14 0.11 0.68 2.33 96.79 0.00 0.09 0.00 0.09 0.01 30 A C C 44.40 8.09 14.87 24.70 119.59 126.70 -77.65 150.81 91.19 8.76 0.05 84.08 6.67 0.21 0.00 0.05 0.00 8.50 0.49 31 S E E 66.09 7.54 17.97 26.93 123.86 -138.04 -109.56 143.25 12.02 87.96 0.01 11.80 0.39 0.03 0.00 0.01 0.00 87.09 0.69 32 V E E 18.09 20.26 14.19 34.39 128.33 -170.54 -128.46 141.50 1.36 98.63 0.00 1.27 0.04 0.00 0.00 0.00 0.00 98.57 0.11 33 S E E 62.22 6.74 23.71 31.23 119.63 -150.09 -108.38 132.38 2.49 97.51 0.00 2.32 0.09 0.00 0.00 0.00 0.00 97.36 0.22 34 L E E 11.43 23.66 14.75 38.29 122.27 -166.75 -111.48 132.10 28.66 71.32 0.02 27.23 0.88 0.04 0.00 0.01 0.00 71.44 0.39 35 P C E 44.64 9.33 24.01 34.02 114.90 -116.67 -70.08 150.75 53.20 46.58 0.22 41.24 9.12 0.70 0.03 0.19 0.00 48.46 0.28 36 V E E 34.94 17.81 21.78 38.64 114.82 -107.04 -83.17 133.57 35.18 64.29 0.53 29.67 4.48 0.67 0.11 0.35 0.00 64.19 0.54 37 A E E 7.54 21.82 22.56 43.73 122.71 -168.30 -116.39 134.86 8.71 90.95 0.33 7.54 1.06 0.23 0.11 0.15 0.00 90.44 0.47 38 L E E 11.84 21.10 24.61 44.98 122.04 -157.58 -113.84 133.63 2.90 96.99 0.10 2.48 0.26 0.07 0.03 0.04 0.00 97.03 0.09 39 V E E 14.72 18.37 24.34 42.62 118.07 -157.50 -108.22 127.47 1.83 98.10 0.06 1.50 0.17 0.05 0.02 0.03 0.00 98.17 0.06 40 V E E 19.59 18.41 18.27 36.95 122.41 -168.75 -119.01 131.27 5.26 94.65 0.09 4.18 0.76 0.15 0.03 0.05 0.00 94.53 0.30 41 D E E 68.75 7.64 19.47 27.87 107.33 -173.86 -113.50 66.88 43.15 56.61 0.24 33.17 6.79 1.63 0.03 0.23 0.00 57.68 0.47 42 G C T 39.86 8.23 16.59 25.14 103.92 -74.50 68.21 -72.79 97.32 1.89 0.79 8.13 39.77 49.51 0.06 0.79 0.00 1.51 0.24 43 A C T 84.81 2.92 16.26 19.83 100.59 3.44 -97.11 -14.29 97.69 1.29 1.03 8.29 42.26 47.23 0.08 0.98 0.00 0.95 0.21 44 N E E 102.45 3.16 18.46 22.44 122.69 60.43 -116.26 139.81 46.07 53.30 0.64 25.28 16.66 5.57 0.11 0.57 0.00 50.88 0.93 45 V E E 42.17 19.60 11.23 29.67 119.96 -157.38 -111.92 128.91 11.82 88.04 0.14 10.52 0.92 0.16 0.07 0.06 0.00 87.45 0.82 46 T E E 65.36 6.90 21.50 29.05 123.55 -173.69 -121.68 138.85 7.37 92.45 0.18 6.37 0.75 0.15 0.13 0.06 0.00 91.70 0.83 47 S E E 38.25 17.10 13.61 29.82 128.66 -169.25 -124.53 146.73 28.05 71.36 0.59 22.89 4.46 0.86 0.31 0.29 0.00 70.23 0.96 48 K C C 111.22 5.70 20.24 26.27 108.43 -130.73 -97.22 101.48 78.03 19.18 2.78 54.81 18.98 4.05 1.12 1.54 0.00 18.32 1.17 49 A C G 42.33 15.27 12.70 27.29 96.59 -123.35 -65.93 -30.12 55.06 3.18 41.76 20.81 15.51 20.51 11.71 28.42 0.06 1.83 1.16 50 D C G 111.78 2.21 18.35 20.80 93.09 64.17 -69.16 -24.87 49.16 1.85 48.99 10.15 11.00 28.63 13.73 34.52 0.09 1.05 0.82 51 D H G 67.23 9.20 17.07 26.90 97.75 52.15 -88.21 -10.39 42.93 4.59 52.48 13.75 9.18 21.76 15.26 35.56 0.18 2.94 1.36 52 L C C 13.34 23.96 11.17 34.07 97.50 75.18 -82.19 -9.84 47.99 13.06 38.96 29.59 10.14 10.39 14.61 23.05 0.13 8.68 3.40 53 A C T 60.26 7.70 18.74 27.18 93.85 91.16 -66.49 -25.31 67.37 11.33 21.30 20.59 15.97 32.59 7.08 12.83 0.21 8.64 2.10 54 K C T 135.44 3.39 21.39 24.96 97.08 42.46 -89.97 2.85 71.36 13.50 15.14 17.27 19.52 36.18 2.61 10.91 0.05 12.29 1.17 55 V C E 15.87 22.14 13.02 34.77 120.99 99.79 -98.47 136.57 53.88 45.22 0.90 44.51 6.79 1.31 0.24 0.56 0.00 45.99 0.61 56 A E E 42.09 9.04 26.05 35.38 121.60 -161.82 -112.69 136.29 7.07 92.82 0.12 6.50 0.44 0.09 0.05 0.04 0.00 92.69 0.19 57 V E E 5.01 25.85 15.95 42.49 123.84 -165.47 -120.44 133.58 1.29 98.70 0.01 1.11 0.08 0.01 0.00 0.00 0.00 98.77 0.02 58 T E E 45.07 8.44 27.38 36.71 120.49 -162.87 -113.29 131.82 0.37 99.63 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 59 A E E 5.03 25.41 15.22 40.85 131.46 -172.89 -131.35 149.19 0.44 99.56 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 60 E E E 78.52 6.74 26.67 34.08 122.09 -152.70 -116.79 133.31 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 61 V E E 23.97 20.95 14.56 35.67 109.59 -122.85 -78.30 122.06 0.30 99.70 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.68 0.01 62 L E E 73.14 6.67 20.19 28.03 100.34 175.48 -95.31 -34.38 7.01 92.98 0.01 3.61 2.60 0.17 0.00 0.01 0.00 93.59 0.02 63 E E E 88.19 4.52 22.83 27.94 139.61 -1.35 -152.68 152.12 9.70 90.29 0.01 3.04 5.68 0.28 0.00 0.01 0.00 90.95 0.04 64 H E E 77.39 18.09 13.56 30.50 123.59 -154.06 -124.61 131.08 16.67 83.32 0.01 14.00 1.58 0.06 0.00 0.01 0.00 84.25 0.10 65 T E E 48.64 8.67 18.88 28.72 129.17 -176.48 -129.33 149.47 18.73 81.25 0.02 17.37 0.64 0.05 0.00 0.02 0.00 79.80 2.12 66 K E E 127.43 6.62 17.43 25.68 117.76 -128.09 -94.50 136.08 24.80 75.17 0.02 20.69 3.87 0.18 0.01 0.02 0.00 73.39 1.84 67 G C E 16.01 15.00 12.98 27.98 129.66 -154.09 -105.81 170.44 52.76 47.19 0.05 39.38 11.67 0.24 0.01 0.04 0.00 48.17 0.49 68 P C E 71.71 6.13 18.70 25.33 113.24 -79.05 -69.25 151.45 52.08 47.48 0.44 36.37 13.32 1.15 0.10 0.29 0.00 48.41 0.35 69 K E E 103.65 8.67 16.62 26.10 115.03 -98.44 -83.82 136.67 25.28 74.20 0.52 19.97 4.44 0.69 0.16 0.31 0.00 73.97 0.46 70 I E E 42.48 14.95 13.64 29.35 120.88 -154.34 -111.44 131.92 4.95 94.60 0.45 4.67 0.26 0.08 0.27 0.17 0.00 94.17 0.37 71 R E E 104.50 7.46 18.99 27.57 117.21 -152.21 -104.23 128.85 3.50 96.15 0.35 3.28 0.15 0.05 0.22 0.10 0.00 96.04 0.16 72 I E E 43.35 13.73 14.52 29.44 118.83 -161.03 -109.45 129.21 5.14 94.26 0.60 4.59 0.33 0.12 0.31 0.19 0.00 94.31 0.15 73 H E E 70.65 8.68 16.19 26.60 123.13 -166.76 -115.40 137.17 7.18 91.96 0.87 6.17 0.64 0.27 0.42 0.31 0.00 91.88 0.31 74 K E E 96.36 8.09 14.45 24.09 120.32 -156.66 -111.34 133.78 17.51 81.08 1.41 14.51 2.47 0.81 0.67 0.62 0.00 80.40 0.52 75 F E E 86.20 7.89 10.42 20.24 117.45 -150.22 -101.38 134.05 37.36 60.42 2.21 31.21 4.90 1.51 1.21 1.07 0.01 58.43 1.67 76 K C C 130.78 3.32 10.52 15.46 109.34 -148.03 -91.30 119.08 60.42 30.92 8.66 35.53 16.68 9.85 2.98 5.11 0.05 27.50 2.30 77 N C T 116.71 2.10 9.42 12.67 107.79 -20.70 -86.88 108.37 78.26 5.66 16.07 22.70 25.66 31.52 3.81 10.88 0.03 4.12 1.29 78 K C T 173.33 0.94 9.63 11.00 98.07 -54.02 -55.50 0.19 81.24 2.62 16.14 18.42 25.26 38.74 3.66 11.30 0.01 1.67 0.93 79 T C T 98.07 1.96 9.18 12.22 101.70 65.84 -96.20 0.68 82.68 5.32 12.01 17.38 26.51 40.24 2.55 8.33 0.03 3.58 1.39 80 G C C 47.77 2.94 10.92 15.12 109.53 -106.63 83.53 7.02 81.03 16.96 2.01 31.42 27.12 22.71 0.28 1.84 0.00 15.57 1.05 81 Y C C 128.86 5.41 9.61 16.83 118.32 125.04 -92.98 137.41 62.00 37.17 0.84 52.61 6.26 1.85 0.18 0.70 0.00 36.63 1.76 82 H E E 104.69 6.33 11.43 19.57 121.40 -163.91 -113.46 139.62 37.31 62.15 0.54 32.13 3.72 1.19 0.13 0.42 0.00 61.31 1.09 83 K E E 119.43 6.21 12.98 20.93 119.28 -153.20 -104.28 134.37 26.37 73.31 0.32 23.00 2.38 0.64 0.07 0.25 0.00 73.06 0.60 84 R E E 112.90 9.70 12.47 23.25 121.28 -163.49 -109.27 136.17 20.74 79.00 0.26 17.37 2.32 0.63 0.05 0.20 0.00 79.00 0.44 85 Q E E 106.13 5.99 15.74 23.27 122.82 -163.32 -114.02 138.09 16.56 83.26 0.18 12.83 2.59 0.67 0.03 0.14 0.00 83.40 0.34 86 G E E 24.64 12.10 13.13 25.75 130.39 -167.89 -129.79 170.57 13.99 85.88 0.13 11.33 1.92 0.37 0.03 0.10 0.00 85.95 0.30 87 H E E 96.58 7.30 17.58 26.01 124.66 -115.30 -119.04 143.21 9.91 90.02 0.06 8.91 0.71 0.11 0.02 0.04 0.00 89.11 1.11 88 R E E 105.45 12.40 14.11 26.94 119.52 -140.92 -101.75 136.45 19.47 80.47 0.05 17.49 1.33 0.13 0.01 0.04 0.00 80.40 0.60 89 Q E E 73.77 10.38 16.35 27.68 120.33 -148.24 -102.81 141.06 27.43 72.53 0.04 24.79 1.47 0.10 0.01 0.03 0.00 73.29 0.32 90 Q E E 97.42 8.41 18.72 27.77 112.41 -112.58 -75.03 135.57 28.81 71.16 0.04 26.72 1.02 0.08 0.00 0.03 0.00 71.82 0.34 91 L E E 41.07 16.50 15.61 32.01 126.83 -170.52 -121.34 147.54 17.97 82.01 0.02 16.18 1.12 0.07 0.00 0.02 0.00 82.34 0.27 92 T E E 30.19 13.80 18.94 33.66 120.88 -136.32 -106.43 137.39 4.97 95.02 0.00 4.59 0.18 0.01 0.00 0.00 0.00 95.12 0.09 93 V E E 42.31 12.59 21.12 34.45 120.03 -156.90 -113.01 130.16 2.44 97.55 0.00 2.12 0.14 0.01 0.00 0.00 0.00 97.70 0.03 94 L E E 25.65 19.19 17.07 36.38 119.21 -164.76 -109.36 128.58 1.33 98.66 0.00 1.18 0.05 0.00 0.00 0.00 0.00 98.76 0.01 95 K E E 95.04 7.12 23.59 31.21 118.37 -157.95 -106.67 128.99 0.95 99.05 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.07 0.02 96 V E E 26.94 19.90 12.21 31.76 115.34 -146.62 -97.86 123.97 4.55 95.43 0.01 4.31 0.12 0.01 0.00 0.00 0.00 95.35 0.20 97 T E E 73.15 5.00 17.72 23.68 115.81 -172.48 -111.97 136.91 35.97 63.78 0.25 25.16 7.74 2.87 0.05 0.24 0.00 63.34 0.59 98 G C C 49.28 3.26 16.71 20.57 113.91 4.44 97.62 155.52 62.60 37.10 0.30 45.83 9.78 5.55 0.04 0.30 0.00 37.49 1.02 99 I C C 76.35 13.18 12.97 25.93 113.72 -63.45 -97.01 122.41 99.17 0.82 0.01 99.29 0.08 0.02 0.00 0.00 0.00 0.58 0.02