# 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 K C C 139.49 3.70 14.21 19.31 114.08 -160.48 -94.59 135.50 99.87 0.12 0.01 99.80 0.08 0.04 0.00 0.00 0.00 0.06 0.01 1 N C C 116.36 3.59 12.56 17.52 106.19 -105.54 -80.75 80.00 88.52 10.22 1.26 84.91 2.20 1.85 0.55 0.49 0.00 7.14 2.86 2 V C C 66.69 11.07 9.27 20.92 117.19 -164.98 -97.62 128.64 76.58 19.58 3.84 64.97 8.35 2.16 2.39 1.74 0.00 14.02 6.37 3 K C C 134.95 3.86 16.48 21.57 116.01 -152.31 -97.16 134.71 74.33 19.92 5.74 64.12 6.81 2.45 3.23 2.69 0.00 15.55 5.15 4 S C C 45.56 14.46 12.15 26.18 116.65 -127.79 -87.45 138.78 76.87 13.83 9.30 63.68 8.21 4.72 3.80 5.43 0.00 10.69 3.46 5 K C C 124.43 5.75 19.79 26.10 102.17 -165.61 -95.33 -3.18 75.73 13.87 10.40 45.18 18.87 12.08 3.46 6.82 0.05 8.52 5.03 6 I C T 55.89 16.06 14.43 29.84 114.15 79.07 -88.41 124.72 76.06 15.46 8.48 24.96 22.14 30.43 2.67 5.16 0.13 8.92 5.58 7 G C C 34.40 9.94 18.59 28.52 103.71 24.05 89.36 -2.86 90.21 6.29 3.50 32.21 28.15 30.45 0.63 2.89 0.00 3.91 1.76 8 S C C 36.91 7.60 16.85 25.85 124.20 123.35 -99.74 157.76 90.59 7.01 2.40 65.95 20.38 3.56 0.93 1.52 0.00 2.92 4.75 9 T C G 79.82 9.87 13.58 24.17 93.29 -115.47 -64.49 -27.33 51.17 1.78 47.05 8.78 10.57 32.44 3.86 42.55 0.02 1.04 0.75 10 E C G 144.01 1.76 17.82 19.57 92.28 64.32 -69.63 -21.31 50.59 1.89 47.52 5.89 8.82 36.32 4.62 42.39 0.03 1.26 0.66 11 N H G 57.39 10.97 13.97 25.89 98.62 51.28 -95.21 1.22 45.13 5.16 49.71 14.81 10.32 22.64 5.14 42.18 0.04 3.61 1.26 12 L C C 47.61 17.02 12.04 28.33 105.92 94.48 -80.29 94.39 70.43 21.43 8.14 44.72 14.83 11.65 2.99 5.20 0.02 17.28 3.32 13 K E E 127.36 4.65 19.21 24.47 104.05 98.47 -94.70 38.89 45.63 48.39 5.98 26.76 10.52 11.21 1.88 4.16 0.06 42.06 3.35 14 H E E 79.81 11.77 13.08 25.31 120.27 118.74 -101.60 140.01 29.75 68.80 1.45 21.83 4.11 0.87 1.03 0.62 0.01 44.37 27.16 15 Q C C 106.46 5.69 15.79 22.69 118.20 -131.73 -96.45 137.52 84.92 14.63 0.44 78.20 5.03 1.16 0.12 0.34 0.00 13.17 1.99 16 P C T 79.72 8.51 12.33 21.94 110.81 -100.38 -64.21 140.39 92.86 4.01 3.13 11.18 15.86 65.13 0.20 3.51 0.00 3.50 0.61 17 G C T 57.78 2.51 15.02 17.89 100.09 17.73 84.30 -4.67 92.95 3.02 4.03 6.39 16.40 69.37 0.21 4.64 0.00 2.26 0.72 18 G C S 43.59 5.71 13.58 20.35 116.43 -12.04 104.50 -161.94 89.49 5.93 4.57 23.03 37.64 28.52 0.29 5.09 0.00 3.86 1.57 19 G C C 37.34 6.85 13.55 21.61 126.42 59.10 114.04 -169.50 87.89 11.09 1.01 51.38 28.03 8.52 0.13 1.09 0.00 9.18 1.68 20 K C C 136.13 4.01 17.17 21.92 116.69 -76.15 -92.61 137.34 63.43 36.11 0.45 51.21 10.35 1.35 0.11 0.42 0.00 33.06 3.51 21 V E E 49.00 16.30 11.17 27.41 121.16 -154.78 -107.20 133.93 28.68 71.20 0.12 27.19 1.44 0.13 0.04 0.07 0.00 69.05 2.08 22 Q E E 94.83 5.64 19.61 26.21 123.31 -164.60 -117.79 137.94 17.09 82.82 0.09 16.03 0.97 0.07 0.03 0.05 0.00 81.46 1.38 23 I E E 63.48 14.80 12.59 27.68 114.87 -136.67 -93.48 126.32 21.02 78.90 0.07 19.96 0.98 0.07 0.02 0.04 0.00 76.61 2.32 24 V C C 66.99 7.19 16.21 24.76 116.76 -166.94 -105.75 130.21 55.82 44.02 0.16 47.27 6.88 0.59 0.03 0.14 0.00 43.75 1.35 25 Y C C 120.95 9.31 12.90 23.04 116.05 -153.67 -109.62 125.64 75.61 24.22 0.17 39.40 35.24 1.23 0.04 0.16 0.00 22.94 1.01 26 K C C 125.43 3.99 15.40 20.80 123.68 157.42 -116.93 138.93 77.07 22.83 0.10 38.23 37.90 0.71 0.02 0.08 0.00 22.12 0.93 27 P C C 88.80 6.46 13.81 21.71 114.79 -103.90 -65.21 145.27 76.51 23.34 0.15 69.13 6.66 0.47 0.03 0.13 0.00 21.64 1.94 28 V C C 48.41 14.68 9.57 24.30 117.51 -129.66 -95.54 135.52 69.59 30.15 0.27 66.46 3.03 0.25 0.14 0.15 0.00 21.15 8.83 29 D C C 89.21 3.01 18.85 21.90 107.71 -130.63 -91.84 111.49 82.60 17.25 0.15 83.48 0.73 0.12 0.06 0.07 0.00 12.64 2.90 30 L H G 57.87 16.27 9.41 25.23 94.05 -171.61 -70.70 -16.37 34.23 2.18 63.59 17.29 3.93 10.59 2.35 63.86 0.00 1.77 0.21 31 S H G 87.49 2.05 15.23 18.04 90.96 77.12 -69.65 -17.51 30.05 1.77 68.19 3.71 4.20 20.59 1.88 68.10 0.00 1.36 0.17 32 K H G 139.96 2.24 15.26 17.90 96.53 54.98 -98.58 2.47 28.23 2.00 69.76 5.47 5.04 16.87 1.69 69.20 0.00 1.52 0.21 33 V C C 34.09 17.99 6.64 23.12 114.79 107.81 -80.12 129.73 84.27 12.28 3.45 70.49 11.53 1.54 2.18 1.56 0.00 7.18 5.51 34 T C C 108.49 1.52 18.19 19.17 100.49 -177.89 -101.49 -15.05 83.50 12.85 3.65 60.81 18.29 4.32 1.81 1.95 0.00 10.12 2.69 35 S C S 51.50 7.20 16.51 24.97 132.72 44.38 -128.18 156.80 71.19 23.94 4.87 30.33 34.61 7.89 1.67 2.85 0.06 19.32 3.27 36 K C C 114.19 8.86 18.00 27.61 116.49 -113.57 -87.98 140.88 69.40 26.90 3.71 56.87 8.21 4.07 1.37 2.46 0.01 22.35 4.67 37 C C C 39.71 16.67 14.59 30.82 120.15 -134.95 -101.19 141.04 67.49 28.83 3.68 43.24 13.04 11.24 1.26 2.65 0.02 20.44 8.10 38 G C C 31.52 8.65 19.48 28.61 124.35 28.60 103.19 -166.16 77.70 18.78 3.51 30.75 30.49 18.03 0.66 2.85 0.02 14.15 3.05 39 S C C 51.96 7.06 19.72 27.16 120.28 -46.96 -101.65 150.32 79.46 15.09 5.45 53.64 16.80 8.64 1.43 4.32 0.01 9.70 5.46 40 L C T 70.32 15.18 13.33 27.86 94.35 -114.07 -68.21 -21.97 65.96 6.99 27.05 15.18 14.18 37.96 2.61 23.33 0.04 4.46 2.24 41 G C T 48.53 4.55 18.26 23.32 93.94 65.61 -69.20 -19.28 69.23 4.56 26.21 11.13 13.98 44.40 2.17 23.81 0.02 3.35 1.15 42 N C C 80.24 7.75 16.74 25.36 98.34 52.96 -95.85 2.83 63.86 11.28 24.86 31.31 14.06 20.27 2.22 21.73 0.01 8.66 1.74 43 I C C 40.72 18.17 11.86 29.41 114.32 101.08 -92.75 128.55 61.28 37.23 1.49 48.28 10.14 2.64 0.48 1.14 0.00 33.48 3.83 44 H E E 112.85 6.03 19.37 26.03 110.51 -162.77 -104.62 103.22 36.65 62.16 1.19 29.81 5.08 1.93 0.44 0.82 0.00 58.51 3.40 45 H E E 73.58 13.41 13.18 26.75 122.21 133.30 -109.88 136.92 36.34 62.93 0.73 30.15 3.61 0.77 0.40 0.42 0.00 52.00 12.65 46 K C C 120.04 5.38 16.97 23.40 117.64 -135.09 -97.30 136.56 84.55 15.03 0.42 77.94 4.95 1.09 0.09 0.33 0.00 13.78 1.82 47 P C T 79.25 8.44 12.70 22.26 111.68 -103.07 -63.51 141.54 87.48 7.32 5.20 19.91 15.32 51.69 0.42 5.43 0.00 6.25 0.97 48 G C T 55.16 3.41 15.50 19.19 100.14 17.83 84.32 -2.87 88.17 5.30 6.53 10.84 16.07 60.50 0.47 6.88 0.00 4.15 1.10 49 G C S 42.17 6.41 14.27 21.67 113.13 -35.94 99.39 -31.60 86.75 6.84 6.42 25.60 30.97 30.13 0.48 6.66 0.00 4.68 1.48 50 G C C 34.78 7.37 14.36 22.85 122.61 110.56 120.04 -173.59 84.60 13.90 1.50 44.47 30.80 9.54 0.21 1.43 0.00 12.18 1.39 51 Q C E 113.49 5.39 16.69 23.13 118.63 -52.31 -96.28 138.13 51.80 47.33 0.87 43.09 7.00 1.31 0.28 0.61 0.00 45.37 2.34 52 V E E 46.53 15.09 12.21 27.78 121.77 -160.68 -112.80 133.54 21.75 77.79 0.46 20.27 1.34 0.24 0.30 0.19 0.00 75.92 1.74 53 E E E 109.21 5.22 18.91 25.15 118.78 -156.24 -107.78 130.77 16.44 83.03 0.53 15.13 1.11 0.20 0.36 0.19 0.00 81.76 1.25 54 V E E 46.60 15.24 11.15 26.61 117.11 -151.79 -102.93 127.49 31.21 67.25 1.55 29.05 1.58 0.44 0.97 0.58 0.00 64.94 2.45 55 K C C 121.95 4.65 15.48 21.09 108.03 -152.82 -85.86 134.44 69.74 24.01 6.25 47.39 15.24 6.55 2.02 4.05 0.01 23.69 1.06 56 S C C 70.37 6.19 12.53 19.75 113.15 -90.96 -97.92 131.48 75.47 13.84 10.69 35.97 28.96 11.35 2.51 7.80 0.01 12.07 1.32 57 E C C 119.11 5.55 12.62 19.55 116.78 -132.93 -100.59 135.74 74.93 12.89 12.18 47.46 20.08 7.56 3.50 8.55 0.01 11.37 1.46 58 K C C 142.95 3.81 13.39 18.83 115.54 -119.68 -88.34 133.32 73.23 17.16 9.60 59.23 8.08 5.50 3.76 6.04 0.01 13.34 4.04 59 L C C 59.89 12.96 9.27 22.51 119.42 -154.02 -104.00 135.61 79.44 15.01 5.55 65.58 10.53 2.95 3.74 2.17 0.01 10.53 4.49 60 D C C 87.74 3.47 17.07 21.03 107.98 -140.80 -92.24 107.86 88.58 7.55 3.88 81.79 4.45 2.31 2.67 1.18 0.00 5.24 2.36 61 F H H 62.30 14.84 10.58 25.44 96.63 -173.61 -77.49 -19.65 46.18 2.13 51.68 37.15 5.16 5.51 43.12 7.04 0.02 1.17 0.84 62 K H H 121.17 6.01 13.12 20.75 92.85 73.20 -62.77 -36.81 19.44 1.35 79.20 6.25 3.13 9.74 58.84 20.59 0.13 0.98 0.33 63 D H H 114.87 1.32 15.86 16.38 93.80 48.96 -75.75 -17.48 19.74 1.90 78.36 5.80 3.29 10.40 58.23 20.21 0.22 1.45 0.40 64 R H H 114.25 7.36 13.80 22.09 99.16 48.23 -95.16 -13.81 23.95 3.69 72.36 9.65 5.20 10.13 56.60 14.62 0.25 2.69 0.86 65 V H H 42.64 15.34 9.95 24.84 111.73 88.17 -88.37 124.99 39.23 15.97 44.79 26.85 8.21 5.73 40.75 3.57 0.15 9.47 5.27 66 Q C H 113.57 4.80 16.02 21.54 103.31 -164.41 -90.34 -12.97 48.61 13.47 37.91 33.77 6.74 7.64 34.71 4.01 0.07 10.25 2.81 67 S C C 57.58 7.67 13.19 21.94 110.48 54.40 -85.74 120.51 57.01 10.00 32.99 37.22 8.24 11.12 28.12 5.39 0.06 7.67 2.19 68 K C C 128.22 6.24 15.25 22.23 99.27 -137.48 -81.45 -7.98 60.48 8.81 30.71 26.02 14.90 20.83 23.86 6.03 0.22 5.82 2.31 69 I C T 78.91 10.41 12.35 23.19 109.55 62.03 -95.66 90.45 61.64 12.23 26.13 18.23 18.96 26.05 19.27 5.78 0.46 7.34 3.92 70 G C C 42.95 5.61 16.08 22.46 105.72 -94.74 77.57 -31.52 79.35 8.99 11.66 28.80 25.53 26.52 4.36 6.41 0.05 6.05 2.28 71 S C C 51.23 6.24 16.39 23.61 121.21 27.76 -112.94 146.83 75.36 9.60 15.03 51.01 12.76 11.48 4.71 10.47 0.01 6.06 3.51 72 L H G 71.44 14.34 11.81 25.64 95.52 -143.00 -72.46 -15.01 36.18 5.35 58.48 17.38 7.78 13.07 4.24 52.67 0.01 4.06 0.78 73 D H G 107.58 3.09 16.80 20.70 93.98 77.20 -70.28 -14.61 36.17 5.71 58.12 9.91 8.01 20.82 3.92 51.93 0.03 4.71 0.67 74 N H G 87.14 6.27 15.47 22.93 97.97 56.54 -96.03 6.96 37.52 6.71 55.77 15.13 8.56 16.48 3.25 50.20 0.01 5.58 0.77 75 I C C 48.03 16.50 10.67 27.04 118.10 108.44 -93.56 130.67 67.55 30.86 1.60 56.24 9.27 1.28 0.68 0.99 0.00 27.68 3.86 76 T E E 75.66 5.65 18.81 25.35 122.98 -170.55 -116.24 140.66 45.52 53.47 1.00 40.16 3.59 0.92 0.50 0.55 0.00 50.18 4.10 77 H E E 96.12 11.90 13.74 25.87 118.57 -144.71 -103.79 131.57 43.54 55.66 0.81 36.13 4.77 0.79 0.47 0.48 0.00 45.80 11.56 78 V C C 67.13 8.23 14.06 23.70 119.21 -161.95 -109.94 132.01 86.18 13.41 0.41 79.51 5.43 0.79 0.12 0.30 0.00 11.79 2.06 79 P C T 90.76 5.25 13.37 19.95 111.17 -104.90 -63.72 141.21 87.24 6.21 6.55 22.23 14.19 50.82 0.97 5.74 0.00 4.84 1.20 80 G C T 56.67 2.93 14.19 17.47 101.22 17.77 82.03 -1.83 87.96 4.38 7.66 15.69 16.77 55.21 0.99 7.06 0.00 3.02 1.24 81 G C C 40.30 7.05 11.57 19.83 113.75 -91.38 100.59 4.03 83.80 7.70 8.50 39.25 25.15 19.42 1.02 8.14 0.00 4.09 2.94 82 G C C 42.48 5.79 11.73 18.94 118.22 -91.10 94.20 -166.11 84.59 8.42 6.99 36.29 23.90 25.12 1.07 6.04 0.01 5.18 2.38 83 N C C 125.29 2.64 13.17 16.52 102.40 -33.96 -88.99 16.47 81.11 12.19 6.70 37.97 24.20 20.00 1.20 5.50 0.01 8.99 2.12 84 K C C 122.48 5.25 10.80 17.74 117.36 136.96 -95.54 138.20 73.97 20.82 5.20 56.34 12.23 4.79 1.85 3.50 0.01 17.94 3.34 85 K C C 147.86 2.95 12.26 16.74 115.15 -137.35 -93.25 132.42 62.01 33.42 4.57 50.47 7.26 2.75 2.64 2.31 0.01 27.18 7.37 86 I C C 84.80 9.95 8.33 18.96 117.82 -153.05 -102.45 133.81 63.31 30.37 6.32 53.91 6.06 2.38 3.66 2.80 0.01 26.48 4.69 87 E C C 131.62 3.06 12.13 16.49 115.25 -139.26 -92.19 134.87 70.17 22.33 7.50 58.49 7.20 3.80 3.21 3.88 0.00 21.36 2.05 88 T C C 96.24 4.58 9.53 16.03 116.60 -152.83 -104.00 133.82 73.34 16.37 10.29 50.63 15.29 7.71 3.58 6.37 0.02 14.56 1.83 89 H C C 125.56 4.32 9.61 15.69 121.58 -166.20 -113.76 138.25 73.67 16.55 9.77 49.44 17.36 7.19 3.45 6.07 0.02 14.70 1.78 90 K C C 154.69 2.22 10.54 14.27 115.70 -133.84 -91.36 133.67 72.50 19.51 7.99 57.14 9.77 5.38 3.13 4.78 0.01 17.13 2.67 91 L C C 102.14 6.85 6.93 14.95 115.20 -143.90 -92.88 130.59 76.65 17.96 5.39 63.29 8.22 4.63 2.27 3.06 0.00 15.75 2.77 92 T C C 107.75 1.70 9.76 12.69 116.41 -158.78 -106.06 132.03 81.32 16.03 2.65 74.75 2.51 3.69 1.23 1.15 0.00 13.43 3.23 93 F C C 138.45 5.44 9.71 16.46 110.32 -145.33 -91.10 112.92 99.70 0.29 0.01 99.69 0.08 0.03 0.00 0.00 0.00 0.18 0.02