# 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 114.14 5.60 13.83 20.59 114.64 -157.52 -96.39 131.91 99.92 0.07 0.01 99.76 0.17 0.03 0.00 0.00 0.00 0.02 0.01 1 A C C 58.40 7.03 10.40 18.99 117.79 -110.54 -74.60 148.31 99.22 0.21 0.57 98.62 0.31 0.51 0.27 0.11 0.00 0.07 0.13 2 P C C 77.07 6.03 10.50 18.33 112.82 -101.98 -66.66 149.64 92.11 1.04 6.84 82.44 4.64 5.60 2.95 3.19 0.00 0.44 0.73 3 K C C 142.81 3.51 10.69 16.00 108.28 -110.36 -76.73 131.73 80.17 3.71 16.12 59.54 11.65 8.57 6.72 9.48 0.00 1.77 2.28 4 K C C 136.58 4.08 10.20 16.02 111.78 -125.74 -90.73 129.17 72.04 3.86 24.11 47.87 13.88 10.23 7.88 16.33 0.01 2.17 1.63 5 E C C 127.79 4.52 10.42 16.65 108.25 -124.96 -81.81 120.87 74.78 3.18 22.04 51.09 12.43 11.00 7.28 15.08 0.00 1.86 1.25 6 K C C 149.05 2.85 12.11 16.47 109.12 -130.91 -90.56 100.04 79.91 3.53 16.56 52.22 16.22 11.22 5.93 10.67 0.01 1.72 2.00 7 A C C 50.36 9.67 8.70 19.26 118.75 -109.74 -87.92 145.29 96.34 1.42 2.24 60.08 34.91 1.54 1.39 0.72 0.00 0.56 0.81 8 P C C 84.14 4.10 13.45 18.97 114.36 -102.00 -67.10 151.89 93.94 1.04 5.01 81.97 7.98 4.20 2.54 2.17 0.00 0.49 0.65 9 A C C 73.69 4.46 12.75 18.91 112.24 -100.57 -67.96 149.13 88.54 1.91 9.55 75.04 7.87 5.56 3.90 5.45 0.00 0.89 1.28 10 A C C 67.73 7.90 10.43 19.47 105.74 -102.61 -70.09 137.94 80.45 2.29 17.26 54.28 11.57 13.40 3.65 14.73 0.00 1.25 1.11 11 S C C 80.66 3.88 12.23 17.52 105.95 -120.77 -86.34 45.55 80.44 2.89 16.67 45.44 16.45 17.95 2.91 14.46 0.00 1.58 1.21 12 S C C 71.71 5.70 11.53 18.72 108.82 112.51 -92.48 77.22 83.30 3.99 12.71 48.66 22.52 11.66 2.43 10.78 0.00 2.05 1.90 13 K C C 125.63 4.63 12.91 19.35 118.11 120.05 -90.96 139.25 95.82 2.91 1.26 62.65 32.51 1.05 0.68 0.51 0.00 1.27 1.33 14 P C C 74.74 7.34 12.27 21.18 114.18 -104.12 -65.75 149.52 87.36 4.98 7.66 76.35 5.67 5.38 3.11 4.19 0.00 2.68 2.63 15 A C C 62.16 7.89 11.26 20.47 110.51 -105.01 -70.02 145.50 82.84 5.63 11.53 61.57 11.33 9.49 3.73 7.99 0.00 3.02 2.85 16 K C C 144.45 3.69 12.33 17.71 108.50 -122.60 -84.52 120.87 80.05 7.02 12.94 51.87 16.08 11.76 3.76 9.40 0.01 3.92 3.20 17 S C C 77.49 4.21 11.25 17.10 111.32 75.70 -92.59 121.07 82.73 5.86 11.41 42.67 19.34 21.17 3.02 8.12 0.01 3.17 2.50 18 G C C 50.16 4.25 11.72 17.36 105.93 -32.09 82.93 5.80 87.10 3.42 9.49 34.51 26.00 27.17 2.36 6.69 0.01 1.68 1.58 19 G C C 44.93 5.08 11.42 17.93 110.71 -106.38 52.69 33.86 84.09 2.86 13.05 34.45 27.96 22.49 4.03 8.18 0.01 1.28 1.59 20 G C C 43.98 4.94 11.55 17.86 111.61 1.55 55.81 -161.87 75.65 2.63 21.72 31.21 24.42 21.18 8.52 11.93 0.02 1.19 1.52 21 K C C 141.21 3.41 11.85 16.52 103.12 -38.28 -79.98 5.58 63.82 3.48 32.70 30.94 16.63 17.18 16.30 15.47 0.05 1.72 1.71 22 Q C C 108.99 4.97 10.63 17.12 105.52 94.60 -82.58 55.92 58.96 3.68 37.37 32.42 13.52 13.56 21.21 15.71 0.05 1.99 1.54 23 K C C 131.80 4.22 11.49 17.17 107.16 73.41 -83.08 78.45 59.89 3.33 36.78 35.54 12.88 11.97 23.58 12.83 0.03 1.80 1.37 24 K C C 131.27 4.60 11.05 17.10 108.34 80.29 -83.79 99.92 63.39 3.22 33.39 40.61 11.90 11.05 22.64 10.66 0.02 1.71 1.41 25 K C C 126.20 5.00 10.82 17.49 110.47 89.96 -86.84 120.67 68.43 2.93 28.64 44.00 13.14 11.24 20.05 8.73 0.01 1.54 1.29 26 K C C 140.25 3.28 11.85 16.70 111.53 -138.34 -91.46 122.49 70.36 4.57 25.07 44.54 13.72 11.85 17.07 8.36 0.02 2.55 1.89 27 W C C 136.92 8.03 9.52 18.61 113.57 -139.69 -93.39 132.23 72.06 5.67 22.27 44.40 15.15 12.41 15.49 7.03 0.03 3.06 2.43 28 S C C 63.80 5.27 10.78 17.60 115.87 -141.31 -91.90 138.26 78.18 4.12 17.70 53.54 12.65 11.41 12.96 5.36 0.01 2.27 1.81 29 K C C 149.41 2.66 11.29 15.46 103.61 -134.02 -85.23 13.54 66.08 2.25 31.67 25.49 18.50 22.93 24.13 6.77 0.05 1.08 1.06 30 G C H 45.04 3.76 11.79 16.82 104.92 42.44 30.39 -57.80 62.13 1.44 36.43 21.35 18.60 23.07 28.31 7.24 0.05 0.67 0.71 31 K H H 129.85 3.26 12.46 16.80 100.99 37.02 -76.39 -22.44 48.68 2.39 48.92 29.48 10.38 10.15 40.09 7.73 0.03 1.33 0.82 32 Q H H 96.92 6.24 12.15 19.60 98.26 61.72 -72.20 -30.19 34.74 3.21 62.05 23.14 6.57 7.25 52.58 7.47 0.03 2.16 0.81 33 K H H 106.99 7.24 13.35 21.59 97.01 61.47 -71.65 -32.49 27.28 3.13 69.59 17.54 5.19 6.66 58.81 8.75 0.03 2.39 0.63 34 E H H 105.23 5.34 14.72 21.13 98.00 62.53 -72.58 -33.93 26.21 3.49 70.30 16.77 4.54 6.61 59.64 8.94 0.04 2.83 0.63 35 K H H 110.99 6.23 15.94 22.92 98.31 61.09 -76.33 -25.79 28.39 3.89 67.72 17.51 4.89 7.90 56.70 9.16 0.06 2.91 0.88 36 V H H 54.79 12.07 13.82 26.21 98.84 60.30 -80.24 -18.98 32.68 3.19 64.14 17.84 5.87 10.78 52.65 9.67 0.10 2.10 0.98 37 N H H 82.94 8.81 16.11 25.46 99.07 68.94 -77.43 -2.14 47.93 1.61 50.46 11.91 7.22 28.64 41.71 8.72 0.15 0.97 0.69 38 N C T 89.86 7.89 16.68 25.10 99.67 54.87 -92.03 10.59 64.87 1.78 33.35 15.23 11.02 38.81 24.79 8.25 0.09 0.96 0.85 39 A C C 46.72 11.27 15.17 27.07 115.23 115.95 -86.53 135.55 71.97 11.97 16.06 41.59 20.70 9.99 10.89 5.52 0.11 6.64 4.55 40 V C C 65.64 12.38 16.33 28.93 113.13 -139.42 -92.00 122.06 66.24 21.58 12.18 45.88 11.41 8.04 7.80 5.03 0.08 15.39 6.38 41 L C C 76.63 11.05 19.43 30.46 104.15 -156.98 -90.02 3.14 73.06 18.88 8.06 46.77 19.46 6.63 5.07 3.40 0.04 13.65 4.97 42 F C C 34.37 20.55 11.79 31.22 121.75 70.27 -105.53 137.64 85.01 12.58 2.40 56.35 27.69 1.74 1.79 0.80 0.00 6.82 4.80 43 D C C 81.76 3.99 19.78 23.68 116.99 -120.95 -79.43 155.68 97.68 1.60 0.72 95.95 1.68 0.27 0.58 0.09 0.00 0.97 0.45 44 Q H H 116.50 6.19 13.61 21.60 92.25 -113.76 -59.23 -37.47 1.67 0.00 98.32 0.26 0.22 0.98 98.28 0.26 0.00 0.00 0.00 45 A H H 68.57 1.66 18.28 18.73 91.79 52.90 -64.61 -40.38 1.24 0.00 98.76 0.14 0.09 0.89 98.46 0.41 0.00 0.00 0.00 46 T H H 31.14 11.38 16.03 28.74 92.15 48.26 -66.73 -40.53 0.62 0.00 99.37 0.12 0.05 0.37 99.06 0.40 0.00 0.00 0.00 47 Y H H 25.19 20.02 14.21 33.99 91.51 52.32 -62.73 -42.90 0.23 0.00 99.77 0.04 0.02 0.12 99.73 0.09 0.00 0.00 0.00 48 D H H 76.30 4.44 21.19 25.91 91.24 51.17 -63.34 -40.87 0.35 0.00 99.65 0.05 0.01 0.21 99.67 0.06 0.00 0.00 0.00 49 K H H 105.96 3.29 22.22 25.02 91.47 50.28 -64.76 -40.79 0.58 0.00 99.41 0.04 0.02 0.45 99.39 0.10 0.00 0.00 0.00 50 L H H 9.06 20.96 16.38 37.55 92.00 49.93 -64.51 -42.35 0.57 0.00 99.43 0.05 0.03 0.41 99.27 0.24 0.00 0.00 0.00 51 L H H 40.88 16.97 17.40 33.90 91.80 51.93 -65.03 -36.56 1.66 0.01 98.33 0.10 0.09 1.41 97.25 1.15 0.00 0.00 0.00 52 T H H 94.31 1.93 21.82 22.59 93.35 50.14 -71.69 -34.95 8.79 0.01 91.20 0.18 0.28 8.70 89.43 1.38 0.01 0.00 0.00 53 E H H 88.24 7.72 19.17 27.35 94.64 47.69 -76.02 -32.60 17.52 0.05 82.43 0.47 1.45 15.86 81.01 1.11 0.05 0.01 0.03 54 V C C 10.82 21.75 11.87 33.32 102.23 39.64 -108.59 38.11 82.71 0.78 16.51 43.93 30.76 8.65 9.87 5.79 0.01 0.24 0.76 55 P C T 69.68 9.60 16.14 26.85 92.58 113.59 -64.24 -24.55 84.82 0.37 14.81 16.48 5.33 62.17 1.67 13.95 0.00 0.22 0.19 56 K C T 153.68 1.81 19.66 21.02 94.88 53.08 -88.00 -4.21 84.17 0.41 15.43 6.28 7.68 68.08 0.85 16.67 0.00 0.23 0.20 57 Y C C 54.97 17.68 11.05 28.15 118.16 96.54 -89.94 136.84 95.26 1.84 2.90 83.07 10.06 1.93 0.48 2.69 0.00 0.91 0.86 58 K C S 126.34 5.39 20.70 27.25 95.87 -162.38 -80.04 -27.62 97.46 1.99 0.55 11.96 78.97 6.63 0.03 0.59 0.00 1.50 0.32 59 Q E E 58.36 12.42 21.74 34.32 130.02 29.94 -133.15 138.12 32.75 66.13 1.12 12.66 17.13 5.78 0.23 0.92 0.03 59.40 3.86 60 I E E 9.24 24.12 19.26 43.35 116.18 -168.66 -115.32 116.25 20.87 78.94 0.19 18.26 2.05 0.11 0.14 0.09 0.00 60.12 19.22 61 T C C 25.83 12.96 27.10 40.56 129.67 151.02 -112.38 160.85 93.14 6.75 0.11 91.29 2.28 0.05 0.08 0.02 0.00 5.79 0.49 62 P H H 10.96 23.42 19.64 43.08 91.44 -110.15 -59.57 -36.68 3.19 0.01 96.80 0.14 0.23 2.84 95.95 0.82 0.01 0.00 0.00 63 S H H 44.70 9.48 24.49 34.41 91.67 55.94 -63.76 -40.26 1.77 0.01 98.22 0.10 0.11 1.53 97.32 0.92 0.01 0.01 0.00 64 V H H 29.28 10.94 23.61 35.52 91.96 49.20 -64.97 -42.26 1.01 0.03 98.96 0.14 0.11 0.72 97.88 1.12 0.01 0.02 0.00 65 L H H 3.63 24.08 18.30 42.60 92.02 49.28 -64.69 -42.75 1.19 0.07 98.74 0.21 0.20 0.79 98.33 0.39 0.02 0.04 0.02 66 S H H 13.32 16.25 16.99 33.91 91.66 51.42 -63.51 -42.63 2.22 0.11 97.67 0.32 0.35 1.57 97.24 0.40 0.04 0.04 0.05 67 E H H 125.74 2.47 21.28 23.52 92.16 48.21 -65.60 -41.12 2.36 0.03 97.61 0.19 0.18 1.92 96.97 0.70 0.02 0.01 0.01 68 R H H 111.61 8.83 18.49 27.79 92.78 46.50 -69.48 -37.81 5.32 0.02 94.66 0.15 0.34 4.84 93.94 0.68 0.03 0.01 0.01 69 L H H 33.02 16.58 14.45 31.34 96.31 34.64 -97.46 -1.77 22.40 0.07 77.53 0.88 2.39 18.97 76.73 0.92 0.04 0.02 0.05 70 R C T 179.20 1.90 20.74 22.70 93.01 -125.22 56.78 41.39 99.65 0.04 0.30 14.04 4.25 81.47 0.15 0.06 0.00 0.02 0.01 71 I C C 28.83 18.49 11.93 30.24 129.89 136.10 -121.49 153.63 97.39 2.52 0.09 81.77 15.23 0.22 0.06 0.03 0.00 0.76 1.93 72 N C C 94.04 3.51 23.27 26.33 114.96 -102.87 -75.25 148.38 99.03 0.88 0.09 98.79 0.41 0.05 0.05 0.01 0.00 0.24 0.45 73 G H H 23.53 17.36 15.22 31.58 93.63 -115.13 -60.40 -38.97 4.81 0.01 95.18 0.63 0.90 2.95 94.69 0.81 0.00 0.00 0.01 74 S H H 61.07 3.97 24.48 28.27 91.86 56.02 -64.75 -40.01 1.88 0.01 98.11 0.18 0.16 1.37 97.41 0.87 0.00 0.00 0.00 75 L H H 35.34 12.74 22.28 35.43 91.97 49.93 -65.23 -41.32 0.34 0.00 99.66 0.05 0.02 0.20 99.17 0.56 0.00 0.00 0.00 76 A H H 1.47 26.56 17.15 44.39 91.07 51.62 -62.98 -43.02 0.16 0.00 99.84 0.02 0.01 0.09 99.75 0.14 0.00 0.00 0.00 77 R H H 93.68 12.63 24.88 36.79 91.24 51.39 -62.53 -41.97 0.20 0.00 99.80 0.01 0.00 0.14 99.77 0.06 0.00 0.00 0.00 78 R H H 114.13 4.03 28.21 32.46 91.32 49.90 -63.89 -42.22 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 79 A H H 4.17 21.41 22.26 43.71 91.58 49.91 -64.03 -43.47 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 80 I H H 2.21 26.78 20.72 47.75 91.21 49.66 -64.07 -42.94 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 81 K H H 97.74 6.57 25.96 32.91 91.47 50.76 -62.84 -42.61 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 82 D H H 49.27 6.94 23.83 31.46 91.57 49.82 -64.29 -41.78 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 83 L H H 4.55 23.22 16.22 39.92 91.78 49.99 -64.01 -42.65 0.13 0.00 99.87 0.01 0.00 0.07 99.87 0.03 0.00 0.00 0.00 84 M H H 60.50 14.76 17.05 31.43 91.90 50.07 -63.65 -41.68 0.25 0.00 99.75 0.02 0.01 0.19 99.67 0.12 0.00 0.00 0.00 85 E H H 146.30 1.32 19.75 20.18 90.55 51.85 -64.17 -31.48 2.95 0.00 97.05 0.04 0.05 3.13 96.57 0.20 0.00 0.00 0.00 86 R C T 122.52 6.16 16.24 23.64 92.02 51.26 -85.67 -3.86 86.15 0.00 13.85 0.06 0.34 86.06 13.33 0.20 0.00 0.00 0.01 87 G C T 40.82 5.81 19.61 26.47 94.38 -112.93 80.27 14.48 99.89 0.00 0.11 0.09 0.52 99.34 0.04 0.01 0.00 0.00 0.00 88 L C S 19.80 18.29 17.25 36.26 95.28 119.84 -81.13 -25.78 99.56 0.43 0.01 9.67 89.51 0.49 0.00 0.00 0.00 0.28 0.04 89 I E E 2.80 26.01 14.64 41.92 133.67 26.89 -136.98 149.89 12.87 87.13 0.00 7.40 6.00 0.10 0.00 0.00 0.00 86.09 0.40 90 R E E 106.05 6.98 26.32 33.92 125.04 -159.12 -122.58 138.18 0.93 99.07 0.00 0.84 0.04 0.00 0.00 0.00 0.00 99.10 0.02 91 M E E 66.63 17.54 16.83 33.66 110.43 -116.41 -74.74 125.76 0.48 99.51 0.00 0.47 0.00 0.00 0.00 0.00 0.00 99.51 0.01 92 V E E 52.37 11.35 18.29 30.60 101.51 176.86 -96.56 -32.39 1.74 98.26 0.00 1.28 0.18 0.01 0.00 0.00 0.00 98.52 0.01 93 S E E 41.34 6.73 21.06 28.80 140.03 -6.92 -156.19 156.18 1.19 98.81 0.01 0.85 0.14 0.02 0.00 0.00 0.00 98.98 0.01 94 I E E 85.09 13.45 12.74 26.36 122.76 -150.55 -123.22 130.44 3.07 96.91 0.02 2.57 0.26 0.03 0.00 0.01 0.00 97.06 0.07 95 H E E 89.46 6.53 13.80 21.88 122.21 -176.66 -124.68 134.10 29.80 70.10 0.10 26.70 2.13 0.29 0.02 0.07 0.00 70.34 0.44 96 S C T 92.66 1.69 14.81 16.50 99.85 -61.90 26.38 -79.93 98.69 0.63 0.68 1.78 27.06 69.86 0.02 0.73 0.00 0.47 0.08 97 S C T 82.64 4.51 14.23 19.58 98.23 -9.96 -97.25 3.03 98.85 0.45 0.70 1.89 27.76 69.15 0.02 0.78 0.00 0.34 0.06 98 Q E E 56.75 12.83 14.40 28.01 126.56 82.32 -118.04 143.76 21.16 78.69 0.15 15.17 5.18 0.91 0.02 0.13 0.00 78.30 0.30 99 Q E E 43.31 14.45 18.98 34.03 120.26 -146.84 -107.04 132.78 2.13 97.87 0.00 2.00 0.05 0.00 0.00 0.00 0.00 97.91 0.03 100 I E E 16.49 17.41 21.98 39.99 120.43 -160.67 -113.55 130.98 0.37 99.63 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 101 F E E 11.77 22.06 21.19 43.12 127.03 -168.70 -118.43 144.05 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 102 T E E 24.16 14.82 24.55 39.41 133.18 -176.14 -132.48 153.38 0.91 99.09 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.08 0.03 103 R E E 65.67 15.83 20.05 35.40 114.72 -104.84 -75.72 141.54 14.46 85.48 0.07 13.35 0.89 0.10 0.02 0.03 0.00 85.01 0.59 104 A C C 29.00 16.03 15.13 31.23 109.80 -110.52 -71.74 142.80 88.59 8.47 2.94 60.91 17.22 9.79 0.43 2.87 0.00 8.04 0.72 105 T C C 82.87 6.32 16.07 23.25 106.21 -147.35 -92.08 20.03 93.71 2.73 3.56 38.82 31.15 23.69 0.49 3.36 0.00 1.75 0.73 106 N C C 110.97 4.18 12.82 18.32 103.68 41.63 -86.45 49.69 95.48 1.76 2.76 68.72 8.40 18.17 0.42 2.55 0.00 1.12 0.62 107 T C C 81.11 7.15 12.64 20.95 107.34 124.50 -94.25 53.65 99.86 0.12 0.02 99.62 0.21 0.08 0.01 0.00 0.00 0.06 0.02