# 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 G C C 48.89 3.66 11.20 16.44 120.78 -154.74 -119.71 168.53 99.61 0.31 0.08 99.21 0.32 0.18 0.04 0.01 0.00 0.18 0.06 1 A C C 90.01 1.97 8.69 12.15 109.86 -82.76 -85.83 122.61 86.47 3.91 9.62 74.98 2.44 10.04 4.48 3.91 0.00 2.46 1.70 2 M C C 149.76 1.32 7.31 10.02 110.72 -134.46 -90.15 121.70 81.45 6.97 11.57 45.04 15.41 21.92 4.92 6.10 0.03 4.17 2.42 3 G C C 57.90 1.78 8.14 11.45 115.90 -148.48 -102.24 142.91 78.75 7.67 13.59 49.57 15.06 14.45 6.76 6.72 0.03 4.64 2.76 4 M C C 128.86 2.90 7.21 11.99 115.48 -133.42 -96.00 135.86 77.70 6.39 15.91 59.51 11.63 5.89 12.77 3.82 0.01 3.51 2.87 5 S C C 71.65 2.41 9.09 12.87 117.47 -138.99 -91.81 149.48 73.52 2.92 23.56 59.95 8.17 4.56 21.91 2.64 0.00 1.43 1.34 6 E H H 145.20 2.05 8.76 12.14 98.55 -117.35 -72.41 -25.42 17.94 0.55 81.51 8.24 4.35 7.15 70.81 8.88 0.05 0.32 0.20 7 E H H 140.78 1.46 9.92 12.02 98.65 62.94 -75.37 -25.88 13.12 0.40 86.48 4.85 2.42 6.43 74.73 11.13 0.05 0.27 0.13 8 E H H 122.00 2.77 9.06 13.17 99.99 59.91 -79.71 -15.97 11.74 0.44 87.83 5.31 2.13 5.01 75.72 11.36 0.03 0.30 0.12 9 L H H 105.78 3.66 8.43 13.68 104.51 74.74 -84.33 16.19 15.93 0.77 83.30 8.13 3.14 6.36 73.19 8.38 0.06 0.49 0.26 10 E H H 134.26 2.27 9.39 12.94 106.77 66.75 -86.54 61.40 24.91 1.08 74.01 12.84 4.45 9.84 66.67 5.09 0.07 0.62 0.42 11 Q H H 131.33 2.15 8.93 12.43 107.17 70.03 -87.97 89.63 35.86 0.99 63.16 17.92 6.23 13.91 55.88 5.07 0.06 0.49 0.45 12 D H H 104.03 2.77 8.41 12.95 110.93 105.52 -89.47 123.58 46.06 1.22 52.72 24.57 8.48 14.63 44.48 6.63 0.04 0.61 0.56 13 E C H 147.18 1.70 8.96 11.92 108.43 -146.64 -87.95 112.53 55.98 1.73 42.29 30.49 7.91 18.58 33.93 7.32 0.04 0.87 0.85 14 L C C 119.13 3.00 7.24 12.12 112.65 -134.04 -90.18 123.84 63.61 2.79 33.59 36.21 11.76 16.33 25.78 7.05 0.07 1.28 1.52 15 D C C 116.63 1.66 8.79 11.75 112.01 -156.47 -94.33 119.48 74.45 2.60 22.95 43.69 12.40 18.35 17.81 5.11 0.03 1.21 1.40 16 G C C 54.60 2.47 9.04 12.97 115.88 -152.55 -112.60 162.19 76.95 1.86 21.19 36.43 18.43 22.98 13.13 7.12 0.02 0.81 1.08 17 A C C 85.13 2.22 8.76 12.48 112.81 -102.65 -89.39 137.59 72.61 2.14 25.25 37.12 17.75 18.64 15.04 9.20 0.03 0.94 1.28 18 D C C 112.32 2.27 8.59 12.46 111.38 -131.65 -89.77 122.55 69.03 2.60 28.38 39.41 14.88 15.32 17.05 10.65 0.03 1.24 1.42 19 E C C 138.21 2.72 8.63 12.99 111.13 -149.20 -93.07 114.16 68.35 2.62 29.03 41.44 13.09 14.23 18.98 9.56 0.02 1.31 1.38 20 D C C 108.35 2.54 8.91 13.02 110.34 -154.46 -91.33 114.82 73.17 2.11 24.72 47.89 12.05 13.25 17.77 6.85 0.01 1.02 1.15 21 D C C 107.02 2.78 8.91 13.25 105.44 -162.19 -91.97 37.57 68.81 1.72 29.47 41.00 13.05 15.19 23.24 5.82 0.02 0.78 0.90 22 G C H 52.62 2.84 9.77 13.94 106.39 -114.63 -11.27 10.18 54.28 1.31 44.42 28.56 12.84 14.71 35.23 7.37 0.04 0.60 0.65 23 E H H 138.74 2.10 9.37 12.70 108.47 62.73 -84.37 113.53 36.81 1.35 61.83 21.05 7.43 10.21 49.97 10.03 0.04 0.75 0.52 24 E H H 138.28 2.33 9.43 13.14 109.06 -130.07 -82.80 117.92 30.57 1.67 67.75 18.54 5.56 8.43 55.28 10.57 0.04 1.03 0.53 25 L H H 113.84 3.45 8.75 13.89 108.77 -110.06 -87.12 123.33 28.48 1.55 69.97 17.74 5.20 7.52 58.00 10.06 0.04 0.94 0.50 26 A H H 76.16 3.09 9.68 14.35 112.86 -122.55 -81.69 140.39 32.75 1.49 65.76 19.84 5.84 9.32 55.94 7.62 0.04 0.85 0.55 27 A H H 83.26 2.52 9.93 13.89 109.66 -107.54 -80.97 134.99 42.40 1.74 55.86 25.28 7.66 11.74 46.95 6.68 0.05 0.91 0.73 28 A C H 79.17 3.21 8.92 13.90 111.97 -114.80 -84.45 134.12 54.22 2.20 43.59 33.33 9.91 12.59 36.33 5.73 0.05 1.06 1.00 29 D C C 106.41 3.12 9.03 13.87 110.98 -119.37 -88.45 117.91 68.48 2.37 29.15 44.67 9.56 14.22 23.84 5.30 0.01 1.14 1.26 30 D C C 114.34 2.24 9.35 13.12 105.82 -164.06 -90.02 45.08 74.48 2.16 23.36 41.69 12.98 20.15 17.14 5.82 0.02 1.02 1.19 31 G C C 53.77 2.72 10.08 14.24 109.62 -76.13 17.60 33.67 77.03 2.17 20.80 39.19 16.98 21.70 12.48 7.38 0.02 0.96 1.28 32 E C C 139.57 2.33 9.74 13.53 110.87 -68.06 -87.62 125.74 69.93 3.04 27.03 40.06 14.04 16.40 14.26 12.08 0.03 1.49 1.64 33 A C C 78.75 3.43 8.85 14.10 111.88 -139.26 -88.82 129.88 70.29 4.00 25.70 37.79 14.55 18.74 12.98 11.86 0.03 2.06 1.99 34 D C C 105.36 3.10 9.74 14.46 111.63 -145.45 -91.85 117.37 76.11 3.83 20.05 45.84 14.08 16.54 10.03 9.53 0.01 1.92 2.04 35 S C C 83.27 2.86 9.29 13.83 107.45 -166.77 -90.21 87.41 83.18 3.11 13.71 47.67 15.28 20.79 6.61 6.50 0.01 1.51 1.62 36 G C C 53.00 2.96 9.35 13.88 111.68 -145.31 -95.51 151.36 87.23 2.83 9.93 46.30 18.64 22.65 3.69 5.91 0.01 1.35 1.45 37 D C C 119.10 1.69 9.46 12.29 107.85 -121.64 -86.86 90.80 86.19 3.27 10.54 46.64 18.73 21.01 3.42 6.93 0.01 1.56 1.72 38 G C C 54.75 2.54 9.16 13.26 111.80 82.45 -86.10 158.87 87.00 3.34 9.66 42.99 22.72 21.68 2.76 6.64 0.01 1.60 1.62 39 D C C 117.80 1.79 9.15 12.22 109.59 -110.34 -87.15 108.30 86.80 3.75 9.45 51.60 21.82 13.43 3.01 6.41 0.00 1.94 1.78 40 E C C 142.45 2.30 8.54 12.65 112.88 -137.67 -90.11 131.98 86.96 4.90 8.14 59.02 18.43 9.27 3.42 4.77 0.01 2.58 2.51 41 A C C 80.49 2.87 8.56 13.40 116.51 -127.43 -88.20 139.00 91.46 3.80 4.73 70.14 17.33 3.97 2.72 2.06 0.00 2.04 1.74 42 P C C 105.18 2.60 9.37 13.82 112.49 -107.30 -72.32 145.72 91.47 3.35 5.18 77.94 8.76 4.51 3.20 2.03 0.00 1.87 1.68 43 A C C 81.16 3.08 8.26 13.35 115.64 -116.02 -85.32 140.68 90.85 2.53 6.62 77.20 10.05 3.35 4.93 1.85 0.00 1.31 1.30 44 P C C 109.44 2.22 9.15 13.06 112.25 -109.32 -74.04 144.17 88.67 1.84 9.49 73.17 7.93 7.45 6.73 2.82 0.00 1.07 0.83 45 G C C 55.04 2.54 9.16 13.35 115.67 -138.56 -94.45 152.29 84.88 2.46 12.66 68.12 8.39 8.15 9.22 3.59 0.00 1.42 1.11 46 K C C 152.25 2.31 8.80 12.78 111.90 -120.07 -92.24 126.24 72.35 4.87 22.78 57.19 8.88 5.93 18.33 4.87 0.01 2.80 1.99 47 K C C 147.68 2.33 9.07 13.12 114.83 -145.00 -92.56 133.09 63.83 5.56 30.61 50.93 7.19 5.69 25.74 5.16 0.01 3.46 1.81 48 A C C 76.56 3.61 8.59 14.00 112.62 -128.99 -84.52 137.44 58.19 4.63 37.18 45.40 6.77 6.45 30.76 6.25 0.01 3.01 1.34 49 K C H 147.61 2.64 9.65 14.00 110.06 -143.01 -90.49 115.73 49.71 3.89 46.40 35.85 8.01 7.15 37.73 7.67 0.03 2.45 1.11 50 A C H 79.10 3.17 9.39 14.28 111.57 -127.37 -86.14 132.82 47.99 4.03 47.98 33.22 7.93 8.13 38.86 8.11 0.04 2.60 1.11 51 A C C 78.51 3.12 10.00 14.76 112.20 -135.78 -88.49 130.96 52.81 4.50 42.69 37.89 7.73 8.03 34.84 7.29 0.03 2.93 1.25 52 V C C 90.12 5.25 8.53 15.56 115.11 -144.37 -94.84 130.61 60.72 4.64 34.64 45.49 8.77 6.39 30.19 4.89 0.02 2.89 1.36 53 V C C 94.70 3.06 10.23 14.78 116.13 -148.52 -95.62 142.78 64.80 3.48 31.72 50.05 8.22 6.24 27.49 4.76 0.01 2.05 1.18 54 E H H 137.02 3.22 9.66 14.63 99.41 -120.65 -70.42 -24.80 42.58 2.62 54.80 23.19 7.55 12.09 31.94 22.72 0.04 1.62 0.84 55 E H H 147.17 1.65 11.01 13.35 99.37 58.55 -78.18 -10.55 44.64 1.64 53.72 14.93 8.41 20.98 29.52 24.41 0.09 0.91 0.75 56 E H H 128.45 3.11 10.79 15.21 100.68 58.65 -89.96 3.47 47.39 1.70 50.91 15.40 10.13 22.50 25.37 24.67 0.15 0.86 0.93 57 L C S 77.69 7.75 8.71 17.93 115.53 97.11 -96.36 130.18 79.75 1.63 18.62 35.96 37.24 6.85 15.10 3.16 0.01 0.51 1.17 58 P C C 82.53 4.60 11.31 17.50 106.24 -123.65 -71.37 131.23 81.78 2.01 16.20 57.68 14.88 8.62 13.46 3.36 0.00 0.87 1.14 59 S C C 60.55 3.29 12.72 17.04 117.34 -115.85 -84.94 159.07 77.46 3.86 18.68 57.10 15.65 3.89 17.45 2.22 0.00 1.37 2.31 60 V H H 99.44 3.10 11.65 16.13 94.06 -112.82 -62.91 -37.32 6.39 0.11 93.50 3.09 1.65 2.19 92.12 0.86 0.01 0.04 0.04 61 E H H 124.24 1.35 14.49 15.20 92.50 52.67 -65.14 -40.50 3.30 0.05 96.65 1.35 0.54 1.53 95.70 0.84 0.00 0.03 0.02 62 A H H 44.91 3.54 12.90 18.16 92.16 50.49 -64.83 -40.80 2.22 0.04 97.74 1.05 0.29 0.97 96.83 0.83 0.00 0.02 0.01 63 K H H 94.72 4.66 13.33 19.54 92.04 51.01 -64.70 -40.70 1.20 0.02 98.78 0.57 0.14 0.50 98.46 0.32 0.00 0.01 0.00 64 Q H H 100.58 2.15 15.61 17.77 92.15 50.61 -64.64 -40.58 0.84 0.01 99.16 0.35 0.09 0.36 99.07 0.13 0.00 0.00 0.00 65 K H H 123.01 1.62 16.44 17.26 92.17 50.16 -64.84 -41.03 0.55 0.00 99.45 0.17 0.05 0.26 99.44 0.07 0.00 0.00 0.00 66 E H H 95.12 3.67 15.34 20.02 92.21 49.59 -64.88 -41.11 0.31 0.00 99.69 0.07 0.02 0.16 99.70 0.04 0.00 0.00 0.00 67 R H H 121.16 3.60 15.65 20.13 91.99 50.46 -64.27 -41.02 0.22 0.00 99.78 0.04 0.02 0.12 99.79 0.03 0.00 0.00 0.00 68 D H H 84.85 1.92 17.23 18.45 91.97 50.13 -64.51 -40.72 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 69 A H H 55.84 2.50 16.60 19.11 91.92 50.33 -64.34 -41.04 0.23 0.00 99.77 0.03 0.01 0.14 99.79 0.02 0.00 0.00 0.00 70 L H H 78.03 4.44 15.54 21.11 91.99 49.66 -65.04 -40.91 0.19 0.00 99.81 0.03 0.01 0.12 99.83 0.02 0.00 0.00 0.00 71 A H H 52.61 3.18 16.20 20.07 91.56 51.17 -63.56 -41.31 0.17 0.00 99.83 0.02 0.01 0.11 99.85 0.01 0.00 0.00 0.00 72 K H H 121.27 1.58 17.98 18.25 91.79 49.89 -64.67 -40.93 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.01 0.00 0.00 0.00 73 A H H 50.42 3.62 15.89 20.50 91.72 50.64 -63.87 -41.13 0.13 0.00 99.87 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 74 M H H 83.07 5.08 14.61 21.08 91.80 50.32 -64.12 -41.09 0.13 0.00 99.87 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 75 E H H 108.31 2.02 16.53 18.13 91.66 50.65 -63.97 -40.97 0.15 0.00 99.85 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 76 E H H 106.86 1.73 15.99 17.05 92.04 50.22 -64.27 -41.10 0.29 0.00 99.71 0.03 0.02 0.20 99.69 0.06 0.00 0.00 0.00 77 F H H 82.99 4.96 11.91 18.72 92.33 50.19 -64.64 -41.62 0.74 0.01 99.25 0.08 0.05 0.55 99.10 0.21 0.00 0.00 0.00 78 L H H 97.42 3.73 11.91 17.03 92.17 50.36 -64.84 -38.15 2.14 0.01 97.85 0.20 0.12 1.73 97.26 0.67 0.00 0.00 0.00 79 S H H 91.57 0.91 12.63 13.04 91.36 55.39 -68.32 -23.69 14.55 0.05 85.40 0.50 0.58 13.90 83.89 1.05 0.03 0.02 0.03 80 R C T 168.08 1.40 11.50 13.21 96.02 53.22 -89.18 0.86 77.75 0.16 22.09 1.08 2.77 71.69 23.03 1.24 0.01 0.05 0.12 81 G C T 56.61 1.39 12.89 14.42 102.37 -100.07 89.89 8.69 95.97 0.45 3.58 7.17 5.98 82.92 3.01 0.52 0.00 0.23 0.17 82 G C C 37.31 7.25 8.02 16.74 123.45 146.01 -86.90 164.30 89.25 10.35 0.40 75.20 11.11 2.18 0.09 0.33 0.00 10.30 0.78 83 K E E 150.06 1.62 14.69 16.84 123.06 -133.94 -120.49 140.91 37.89 61.83 0.28 33.11 3.54 0.57 0.07 0.20 0.00 61.38 1.13 84 V E E 93.99 8.21 8.51 18.11 118.94 -145.48 -107.53 131.78 15.10 84.81 0.09 14.39 0.59 0.08 0.03 0.04 0.00 84.42 0.45 85 Q E E 116.04 2.80 12.16 16.76 122.45 -169.31 -121.20 137.41 6.35 93.58 0.07 5.91 0.33 0.05 0.03 0.02 0.00 93.47 0.17 86 E E E 142.44 2.88 10.69 15.71 117.26 -142.62 -98.29 131.96 6.77 93.17 0.06 6.47 0.32 0.05 0.02 0.02 0.00 92.49 0.62 87 I E E 90.51 6.41 7.43 15.66 120.18 -162.71 -108.51 136.35 39.78 60.17 0.05 38.55 1.11 0.08 0.02 0.03 0.00 58.78 1.44 88 E C C 135.44 1.51 11.75 13.64 114.87 -107.63 -74.15 144.95 96.46 3.45 0.09 95.02 1.57 0.18 0.02 0.05 0.00 2.83 0.33 89 P C T 109.39 2.88 8.70 13.40 96.83 -108.19 -63.92 -23.34 92.71 1.36 5.93 5.39 8.98 78.02 0.51 5.76 0.00 0.93 0.41 90 N C T 132.65 0.98 10.26 11.38 98.41 48.69 -85.42 16.01 91.54 2.96 5.50 7.10 8.40 75.86 0.55 5.21 0.00 2.33 0.55 91 V C C 88.73 4.63 7.28 13.95 115.23 129.08 -90.41 130.23 73.46 21.54 5.00 58.42 10.16 3.83 1.64 3.74 0.01 14.29 7.90 92 V C C 115.42 2.08 8.95 12.62 116.37 -172.01 -111.41 131.87 76.88 20.85 2.27 64.81 7.62 3.63 1.03 1.35 0.01 14.59 6.96 93 A C C 79.70 3.06 8.25 13.21 116.13 -141.44 -97.96 143.11 87.99 10.89 1.13 48.08 35.62 5.17 0.27 0.90 0.00 7.75 2.20 94 D C S 117.80 1.62 9.59 12.53 112.77 -111.37 -96.62 121.08 95.33 4.47 0.21 47.46 47.74 0.93 0.06 0.14 0.00 2.51 1.16 95 P C C 94.91 3.37 8.63 14.08 115.96 -112.16 -70.30 149.94 98.55 1.14 0.31 85.36 11.43 1.77 0.07 0.25 0.00 0.68 0.44 96 P C C 97.18 3.32 8.32 13.70 113.66 -104.40 -66.99 147.16 97.44 1.48 1.09 82.71 8.51 6.06 0.22 0.96 0.00 0.81 0.74 97 K C C 162.47 1.45 8.84 11.59 111.70 -120.48 -84.29 137.28 94.38 4.39 1.23 66.71 22.85 4.26 0.30 1.09 0.00 1.95 2.84 98 K C C 151.88 1.95 8.36 12.08 116.13 -108.59 -90.62 136.82 95.74 3.82 0.44 64.99 29.79 1.19 0.14 0.29 0.00 1.83 1.78 99 P C C 100.01 3.32 7.61 12.91 109.91 -106.33 -67.45 144.12 93.33 3.29 3.37 65.86 14.58 12.54 0.70 2.95 0.00 1.89 1.48 100 D C C 113.69 1.78 8.89 12.04 114.06 -146.30 -100.37 134.57 89.09 5.53 5.38 52.09 22.75 14.00 1.23 4.27 0.00 2.57 3.08 101 S C C 86.73 2.46 8.04 12.25 105.76 -139.14 -87.68 38.13 84.51 4.02 11.48 40.02 25.35 19.32 1.84 9.63 0.00 2.10 1.73 102 K C C 158.53 1.44 9.52 11.90 104.19 115.48 -90.02 23.49 80.69 6.30 13.01 37.99 21.05 22.40 2.24 10.44 0.01 3.32 2.55 103 Y C C 155.23 3.44 7.87 13.00 110.25 87.52 -92.75 108.93 77.45 9.75 12.80 33.59 17.99 26.93 2.23 10.04 0.03 5.17 4.01 104 G C C 50.30 3.42 8.82 13.94 111.77 1.87 20.72 149.42 84.27 7.25 8.48 35.30 20.34 29.37 1.30 7.10 0.01 4.08 2.50 105 S C C 89.60 1.99 8.91 12.36 106.41 -116.56 -94.38 41.12 85.73 8.35 5.92 40.16 28.02 17.93 0.85 5.42 0.00 4.90 2.72 106 R C C 158.93 2.34 8.15 12.44 118.25 128.46 -94.23 139.68 88.37 11.04 0.59 49.24 38.44 1.64 0.17 0.45 0.00 6.96 3.10 107 P C C 108.12 2.11 9.15 13.00 111.85 -105.15 -67.28 146.33 86.19 13.32 0.48 82.62 2.72 0.96 0.20 0.26 0.00 7.73 5.51 108 I C C 119.62 4.82 9.57 16.07 109.22 -108.69 -80.42 130.77 99.25 0.72 0.04 99.02 0.32 0.09 0.02 0.01 0.00 0.42 0.12