# 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 V C C 85.78 6.72 14.24 22.43 116.02 -157.47 -97.78 127.92 99.71 0.29 0.01 99.71 0.09 0.02 0.00 0.00 0.00 0.16 0.02 1 V C C 91.51 6.82 11.26 19.80 116.48 -153.04 -99.96 129.31 88.84 10.68 0.49 88.84 0.66 0.52 0.19 0.16 0.00 7.41 2.21 2 K C C 117.14 6.27 12.53 20.53 122.52 -160.81 -110.08 143.17 84.73 14.57 0.70 75.94 6.41 1.62 0.20 0.48 0.00 13.72 1.64 3 T C C 91.24 4.67 15.88 22.18 118.66 -130.52 -98.16 140.06 77.69 21.16 1.14 64.45 10.02 2.38 0.34 0.84 0.00 19.62 2.34 4 A C C 37.53 16.26 10.88 26.67 120.11 -131.89 -97.97 142.83 67.34 31.53 1.13 59.34 5.56 1.32 0.49 0.71 0.00 28.32 4.26 5 Q C C 82.98 7.81 18.86 27.57 126.50 -162.71 -117.95 148.53 60.30 38.91 0.78 52.58 6.02 0.78 0.35 0.49 0.00 34.82 4.95 6 N C C 62.35 7.61 20.48 28.54 120.34 -110.28 -78.74 157.61 69.11 30.22 0.67 65.02 3.47 0.43 0.23 0.42 0.00 25.78 4.65 7 L H G 31.74 21.07 11.75 32.13 91.44 -110.27 -59.35 -34.45 8.44 0.31 91.25 2.24 1.14 4.10 2.30 89.92 0.00 0.28 0.01 8 A H G 76.77 4.15 18.09 23.62 89.88 64.92 -67.10 -19.56 7.72 0.18 92.10 0.77 0.82 5.57 2.49 90.19 0.00 0.15 0.01 9 E H G 118.55 3.76 18.25 22.62 93.99 56.76 -87.37 -6.73 9.07 0.15 90.78 1.18 1.13 5.81 2.23 89.53 0.00 0.12 0.01 10 V C C 20.06 20.85 7.38 26.56 114.13 98.46 -84.58 127.25 93.19 3.01 3.80 71.31 19.76 1.91 2.03 1.53 0.00 0.89 2.57 11 N C C 124.97 1.60 18.52 19.84 111.87 -173.51 -112.59 75.09 97.39 1.81 0.80 79.28 16.00 1.81 0.39 0.38 0.00 0.69 1.44 12 G C S 31.29 5.18 17.25 23.39 136.91 35.49 148.07 -173.99 93.52 1.37 5.11 25.37 64.02 4.67 2.17 2.27 0.00 0.51 1.00 13 P H G 86.29 8.18 15.04 24.09 94.83 -63.35 -68.34 -21.49 44.25 0.64 55.11 8.58 10.04 26.18 10.36 44.18 0.01 0.34 0.31 14 E H G 114.00 7.15 16.90 24.84 96.53 65.63 -77.39 -10.17 35.97 2.13 61.89 11.22 6.56 19.10 12.66 48.43 0.02 1.42 0.58 15 T H G 50.80 12.28 16.72 29.40 102.68 91.42 -82.06 57.86 32.67 4.48 62.85 20.50 6.08 7.84 13.74 47.78 0.01 3.14 0.91 16 L C C 47.00 17.24 17.32 33.51 97.92 90.89 -82.26 -16.19 51.08 12.17 36.75 23.70 15.02 14.47 13.28 21.86 0.29 7.48 3.92 17 I C S 57.50 14.69 17.70 32.06 112.95 61.52 -103.96 107.26 68.78 18.86 12.37 23.94 36.72 8.00 7.44 4.23 0.36 7.30 12.00 18 G C C 21.85 11.51 16.50 28.47 130.99 -125.38 110.05 174.11 96.52 2.63 0.85 66.19 26.71 3.52 0.24 0.66 0.00 1.29 1.39 19 P C T 102.38 3.63 17.08 21.69 109.61 -51.37 -65.19 136.70 95.74 0.96 3.30 7.81 12.38 75.25 0.52 2.99 0.00 0.58 0.47 20 G C T 52.61 4.13 17.10 21.74 99.68 18.32 83.40 -2.50 95.91 0.98 3.11 12.00 10.81 72.85 0.49 2.83 0.00 0.62 0.41 21 A C C 27.92 18.04 9.11 25.91 118.24 137.70 -78.09 146.81 91.65 4.26 4.09 73.06 14.37 3.34 1.08 3.23 0.00 1.71 3.21 22 K C C 136.37 2.47 19.13 21.87 119.13 -127.52 -86.03 151.55 93.17 4.05 2.77 79.02 9.29 4.17 0.80 1.99 0.00 1.69 3.03 23 E C T 135.23 4.91 14.53 21.51 111.54 -92.75 -63.38 137.75 94.42 3.30 2.28 10.76 16.31 67.22 0.41 1.91 0.00 2.14 1.25 24 G C T 43.55 5.83 16.81 23.82 101.11 23.77 88.20 -4.96 95.35 3.39 1.25 15.17 16.45 63.69 0.16 1.20 0.00 2.87 0.46 25 T C C 72.11 7.74 19.28 27.59 114.20 103.08 -101.38 127.56 80.19 19.22 0.58 62.32 16.09 1.75 0.21 0.44 0.00 10.06 9.11 26 V C C 32.53 19.25 13.60 32.12 120.35 -144.21 -107.38 130.20 76.19 23.63 0.19 61.02 15.38 0.48 0.08 0.14 0.00 16.41 6.49 27 P C C 41.57 10.63 17.97 29.91 113.62 -107.63 -66.13 146.00 81.76 17.47 0.76 72.76 6.46 1.92 0.24 0.57 0.00 13.13 4.92 28 T C C 75.37 11.76 16.00 28.00 99.78 -149.83 -91.86 -5.58 95.28 3.51 1.21 56.88 35.09 3.47 0.39 0.78 0.00 1.67 1.72 29 D C C 73.74 4.92 19.04 24.75 116.92 91.06 -96.26 132.63 91.54 4.33 4.13 53.58 34.71 3.05 2.28 1.47 0.00 1.14 3.76 30 L H G 71.29 14.77 11.82 26.40 93.11 -139.29 -62.88 -29.58 24.65 0.43 74.93 5.11 4.08 15.21 19.24 55.94 0.00 0.25 0.16 31 D H G 110.14 2.74 17.03 20.77 92.31 64.37 -72.14 -16.82 23.73 0.38 75.90 3.76 3.20 15.75 21.50 55.40 0.02 0.22 0.16 32 Q H G 96.37 6.57 16.14 23.75 97.70 55.68 -93.42 -3.51 23.28 0.88 75.84 7.59 4.81 11.09 22.83 52.84 0.02 0.50 0.31 33 E C C 42.66 17.51 11.28 28.38 117.62 92.46 -90.18 139.64 71.60 2.42 25.98 48.42 16.68 6.71 19.31 6.34 0.02 0.85 1.67 34 T C C 63.96 7.23 20.70 28.37 127.90 -171.46 -113.77 163.71 78.62 3.87 17.51 51.05 19.79 7.05 15.84 2.26 0.02 1.16 2.84 35 G H H 26.78 11.10 20.89 31.84 112.85 -18.22 64.51 -134.84 32.52 0.62 66.86 8.96 16.14 8.76 64.00 1.50 0.09 0.19 0.36 36 L H H 58.02 15.15 18.71 33.39 93.18 -8.29 -66.46 -36.02 7.22 0.11 92.67 2.29 1.63 3.72 91.16 1.06 0.04 0.04 0.05 37 A H H 38.63 10.37 20.46 31.42 91.55 55.12 -63.32 -40.34 2.54 0.07 97.39 1.07 0.39 1.23 96.44 0.80 0.02 0.03 0.02 38 R H H 86.00 10.91 22.22 33.09 91.79 50.56 -64.75 -41.12 0.78 0.01 99.21 0.26 0.08 0.39 98.88 0.37 0.00 0.01 0.00 39 L H H 31.17 16.57 20.85 37.06 92.00 50.79 -64.70 -41.68 0.40 0.00 99.59 0.10 0.03 0.22 99.46 0.19 0.00 0.00 0.00 40 E H H 56.28 13.66 21.56 34.97 91.89 50.87 -63.90 -42.15 0.37 0.00 99.62 0.07 0.02 0.23 99.60 0.08 0.00 0.00 0.00 41 L H H 56.95 8.23 23.09 31.74 92.00 49.78 -64.09 -42.83 0.37 0.00 99.63 0.05 0.02 0.25 99.58 0.10 0.00 0.00 0.00 42 L H H 42.38 9.93 20.82 31.83 91.85 49.61 -64.35 -42.08 0.39 0.00 99.60 0.04 0.03 0.27 99.52 0.15 0.00 0.00 0.00 43 G H H 6.48 14.75 14.57 30.91 91.45 52.09 -62.99 -41.65 0.78 0.00 99.22 0.10 0.04 0.54 99.06 0.27 0.00 0.00 0.00 44 K H H 115.63 5.65 17.03 23.93 91.63 50.65 -63.78 -40.20 0.84 0.00 99.15 0.07 0.03 0.68 98.44 0.78 0.00 0.00 0.00 45 L H H 105.00 5.09 15.64 21.68 91.04 53.03 -65.83 -30.67 3.59 0.01 96.40 0.11 0.12 3.46 95.15 1.15 0.00 0.00 0.00 46 E C T 107.65 5.44 14.25 21.02 93.52 49.90 -89.15 -0.31 53.61 0.03 46.35 0.27 0.76 53.51 44.13 1.29 0.01 0.01 0.02 47 G C T 59.97 1.36 16.95 17.84 94.51 -109.59 79.94 14.89 99.86 0.01 0.13 1.58 1.05 97.30 0.04 0.02 0.00 0.00 0.00 48 I C C 54.71 11.83 11.04 24.15 116.82 138.08 -99.99 130.82 97.07 2.82 0.11 92.42 4.39 0.14 0.05 0.05 0.00 0.99 1.95 49 D C C 77.33 5.92 20.37 26.99 107.12 -129.60 -83.44 109.91 97.68 2.06 0.26 96.67 0.98 0.30 0.07 0.11 0.00 0.83 1.04 50 V C T 23.24 21.22 14.31 35.03 96.46 -171.67 -76.98 -21.23 88.85 3.16 7.99 32.07 15.30 40.50 0.73 8.26 0.00 1.70 1.44 51 F C T 60.22 16.90 16.72 32.73 97.25 57.94 -87.89 -11.02 90.47 3.45 6.08 7.94 20.26 61.05 0.40 6.77 0.00 1.99 1.59 52 D C C 77.94 6.86 19.81 27.21 103.99 58.45 -99.67 59.05 90.40 2.92 6.68 34.85 24.49 29.80 0.50 7.68 0.00 1.52 1.15 53 T C C 53.30 15.28 13.24 28.15 109.11 117.36 -96.54 65.73 94.63 4.50 0.87 72.34 19.08 2.90 0.21 0.75 0.00 2.11 2.60 54 K C C 125.76 3.94 20.51 25.40 120.05 120.20 -100.28 138.76 90.50 9.38 0.11 71.04 19.89 0.41 0.03 0.09 0.00 5.91 2.62 55 P C C 66.81 13.16 17.57 30.56 117.12 -104.45 -66.24 148.79 86.60 13.26 0.15 84.58 2.49 0.26 0.05 0.09 0.00 7.93 4.59 56 L C C 20.40 22.69 12.11 34.58 114.91 -108.67 -73.03 142.30 78.57 21.25 0.18 77.32 1.97 0.17 0.07 0.08 0.00 8.31 12.07 57 D C C 82.70 4.96 22.80 27.86 108.20 -117.29 -83.52 117.89 88.71 10.96 0.33 86.39 2.28 0.34 0.11 0.18 0.00 5.48 5.21 58 S C T 48.40 16.11 12.18 27.99 94.03 -161.51 -71.96 -14.47 66.14 1.26 32.60 8.90 10.39 44.76 1.24 33.58 0.00 0.78 0.34 59 S C T 88.03 1.75 19.30 20.82 91.78 66.66 -76.95 -12.08 66.11 1.24 32.66 7.03 9.73 46.83 1.19 34.13 0.00 0.78 0.30 60 R C C 85.80 12.88 15.35 28.45 109.36 73.45 -98.31 86.03 72.02 2.49 25.50 42.15 16.87 10.11 1.55 26.90 0.00 1.34 1.08 61 K C C 98.34 11.03 20.12 31.35 117.60 142.49 -82.16 140.91 94.25 3.95 1.80 58.79 12.70 22.34 0.43 1.37 0.00 1.89 2.49 62 G C C 12.12 20.03 19.06 37.73 101.34 17.75 83.52 3.94 94.88 4.31 0.81 35.50 35.20 24.10 0.11 0.88 0.00 2.20 2.01 63 T C C 35.81 9.33 23.74 33.92 132.99 124.04 -120.41 162.10 80.39 19.21 0.40 51.71 25.46 0.70 0.21 0.17 0.00 3.90 17.86 64 M C T 59.85 18.66 14.86 32.84 91.32 -107.15 -62.67 -29.11 91.46 2.39 6.15 2.52 35.06 54.26 0.28 5.55 0.00 1.38 0.96 65 K C T 151.61 1.96 21.34 23.07 92.89 60.06 -72.96 -24.65 93.29 1.58 5.13 2.05 35.02 56.49 0.16 4.83 0.00 1.03 0.41 66 D C S 71.50 7.87 19.99 28.51 107.98 32.19 -122.51 68.11 88.19 7.10 4.71 23.68 55.92 8.81 0.38 4.50 0.01 4.02 2.69 67 P C C 15.94 22.84 14.82 37.45 117.89 -162.87 -69.59 147.68 89.35 10.44 0.20 86.50 2.67 0.48 0.05 0.13 0.00 8.90 1.27 68 I E E 18.90 19.63 22.18 41.78 114.69 -122.98 -91.37 129.15 38.02 61.94 0.04 32.28 5.17 0.15 0.01 0.03 0.00 61.01 1.35 69 I E E 54.18 15.25 25.84 40.24 116.32 -150.90 -100.37 126.48 4.72 95.26 0.01 4.51 0.21 0.01 0.00 0.01 0.00 94.81 0.45 70 I E E 6.51 24.81 18.58 43.68 123.09 -170.00 -118.52 132.33 2.95 97.03 0.02 2.84 0.12 0.01 0.01 0.01 0.00 96.64 0.37 71 E E E 90.97 8.26 26.25 35.10 116.26 -136.00 -88.40 133.50 17.52 82.43 0.05 15.50 1.50 0.12 0.01 0.03 0.00 82.41 0.42 72 S C C 12.50 22.96 13.57 35.75 130.57 -166.06 -127.19 155.33 71.37 28.43 0.20 63.69 5.43 0.82 0.04 0.19 0.00 28.67 1.17 73 Y C S 115.97 8.24 20.68 29.30 100.49 -153.24 -95.92 -3.91 89.71 9.32 0.97 38.05 43.50 8.53 0.13 0.99 0.00 7.24 1.57 74 D C S 57.70 8.15 18.44 27.22 130.12 44.55 -120.39 169.02 95.65 2.30 2.05 9.35 68.36 18.31 0.15 1.72 0.00 1.56 0.54 75 D C S 98.69 5.82 19.54 26.07 94.62 -92.10 -76.05 -8.88 93.21 3.99 2.80 9.72 66.48 17.32 0.18 2.50 0.00 3.27 0.52 76 Y C E 75.87 12.30 19.09 31.98 127.02 62.53 -120.23 142.14 51.63 45.68 2.69 32.75 13.71 5.85 0.25 2.37 0.00 44.11 0.96 77 R E E 40.37 19.87 20.03 39.04 129.75 -172.99 -129.72 142.39 19.57 79.48 0.95 16.67 1.97 0.58 0.16 0.62 0.00 79.63 0.36 78 Y E E 33.94 18.87 26.49 44.42 124.59 -159.45 -117.42 136.21 3.04 96.90 0.06 2.55 0.28 0.05 0.02 0.03 0.00 96.94 0.12 79 V E E 3.12 25.56 25.94 50.97 128.10 -171.02 -126.75 139.22 1.20 98.80 0.01 0.96 0.08 0.01 0.00 0.00 0.00 98.91 0.03 80 G E E 2.46 23.20 27.77 49.94 142.61 163.33 -148.69 168.79 1.41 98.59 0.00 1.18 0.10 0.00 0.00 0.00 0.00 98.69 0.03 81 C E E 3.06 25.34 25.18 50.36 126.47 -122.83 -123.64 141.63 3.61 96.39 0.01 3.31 0.21 0.02 0.00 0.00 0.00 96.32 0.15 82 T E E 23.03 17.57 26.89 43.79 119.53 -149.02 -108.60 139.39 13.35 86.59 0.06 11.39 1.58 0.20 0.01 0.04 0.00 85.63 1.15 83 G E E 9.27 18.00 21.32 38.51 136.92 114.78 127.32 -173.65 43.10 56.71 0.19 27.68 15.62 1.74 0.03 0.19 0.00 53.19 1.55 84 S C C 47.86 9.67 20.77 30.95 122.86 -66.48 -116.88 139.17 65.31 34.15 0.54 42.88 20.69 2.55 0.10 0.56 0.00 30.59 2.63 85 P C T 65.38 8.36 16.40 25.48 112.17 -58.55 -70.56 149.01 74.69 13.41 11.90 24.16 24.64 27.66 1.21 10.53 0.03 9.42 2.35 86 A C T 77.06 5.53 14.11 20.71 104.72 -40.02 -65.35 106.03 82.29 1.57 16.14 6.95 21.33 53.05 1.10 15.89 0.01 0.88 0.78 87 G C T 58.50 2.21 15.84 18.39 100.38 9.28 81.11 -3.10 82.32 2.03 15.65 8.44 23.50 49.55 1.01 15.46 0.00 1.20 0.83 88 S C C 59.27 6.50 15.24 22.86 115.53 71.16 -113.75 128.72 72.29 20.18 7.53 37.50 19.00 17.35 1.00 7.01 0.02 14.74 3.38 89 H C C 66.79 16.79 13.11 28.91 117.98 165.03 -105.33 133.19 62.32 36.39 1.29 48.24 9.67 3.79 0.27 1.12 0.00 34.61 2.30 90 T E E 56.80 9.55 22.20 31.95 120.91 -161.72 -104.38 136.06 41.45 58.20 0.35 32.52 7.19 1.18 0.07 0.27 0.00 58.01 0.77 91 I E E 35.05 20.07 18.02 37.48 118.57 -149.35 -103.55 129.85 7.18 92.78 0.05 6.26 0.58 0.07 0.01 0.02 0.00 92.92 0.14 92 M E E 34.75 16.17 23.53 39.48 122.53 -167.93 -117.88 131.73 0.46 99.53 0.01 0.43 0.02 0.00 0.00 0.00 0.00 99.53 0.01 93 W E E 49.66 17.89 23.38 40.61 119.78 -154.19 -106.89 130.34 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 94 L E E 8.48 22.81 20.71 43.30 124.78 -171.18 -119.79 137.82 2.02 97.98 0.00 1.92 0.05 0.00 0.00 0.00 0.00 97.90 0.13 95 K E E 73.84 11.14 27.33 38.77 114.17 -151.14 -104.71 119.79 26.04 73.95 0.01 25.17 0.47 0.02 0.00 0.00 0.00 74.12 0.22 96 P C E 4.76 25.50 15.73 41.94 114.63 -139.26 -79.57 138.30 51.74 48.17 0.10 43.05 6.83 0.53 0.02 0.09 0.00 48.61 0.87 97 T C C 45.06 8.07 23.76 32.23 131.54 -174.57 -127.99 158.98 54.23 45.54 0.23 47.47 5.06 0.50 0.12 0.16 0.00 32.59 14.09 98 V C S 66.74 12.60 15.58 28.11 108.41 -98.12 -70.97 131.40 88.28 11.18 0.54 6.70 48.90 33.45 0.05 0.48 0.00 9.39 1.02 99 N C S 119.78 3.05 18.42 22.05 94.88 10.14 66.28 11.22 95.07 4.67 0.27 5.40 56.73 32.99 0.01 0.28 0.00 4.31 0.27 100 E C C 95.76 5.56 19.04 25.75 130.58 84.82 -125.84 151.63 82.41 17.48 0.10 48.32 33.83 1.02 0.01 0.11 0.00 15.55 1.14 101 V C C 54.47 15.97 15.91 31.53 114.82 -113.13 -83.26 131.12 67.70 32.27 0.03 66.32 0.92 0.07 0.00 0.02 0.00 32.22 0.44 102 A E E 19.90 15.60 19.94 35.85 132.14 -170.40 -128.19 153.39 5.96 94.03 0.01 5.21 0.50 0.03 0.00 0.01 0.00 93.90 0.35 103 R E E 104.64 10.71 23.37 34.14 121.14 -134.91 -104.86 133.69 1.66 98.34 0.01 1.61 0.08 0.00 0.01 0.00 0.00 93.92 4.38 104 C C C 4.87 24.02 13.11 38.24 108.48 -123.31 -78.40 120.80 85.93 14.05 0.02 86.86 0.31 0.04 0.00 0.01 0.00 12.15 0.63 105 W C T 144.51 6.69 21.17 29.02 93.38 -153.42 -69.60 -24.86 99.64 0.12 0.24 0.33 4.57 94.78 0.01 0.22 0.00 0.08 0.02 106 E C T 95.05 8.62 20.00 29.01 99.45 46.91 -81.56 -40.23 99.71 0.05 0.24 0.05 2.15 97.60 0.00 0.15 0.00 0.02 0.01 107 C C T 32.57 13.88 17.51 32.03 102.91 17.09 -108.42 -14.65 99.73 0.07 0.19 0.22 3.00 96.58 0.01 0.14 0.00 0.04 0.02 108 G C C 22.66 10.57 20.08 31.78 96.29 -120.23 80.23 7.63 99.10 0.76 0.13 86.83 7.87 4.42 0.03 0.10 0.00 0.52 0.23 109 S C C 16.65 15.72 19.96 36.68 119.21 144.09 -74.31 147.81 87.54 12.45 0.01 85.75 1.96 0.06 0.00 0.01 0.00 11.46 0.76 110 V E E 22.77 18.74 22.58 40.87 123.51 -147.92 -115.44 135.34 0.59 99.41 0.00 0.59 0.02 0.00 0.00 0.00 0.00 98.93 0.46 111 Y E E 14.69 22.18 21.47 43.34 130.04 -173.46 -126.89 145.70 0.25 99.75 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 112 K E E 67.39 11.79 26.13 38.12 118.24 -132.40 -95.16 135.69 0.86 99.14 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.04 0.05 113 L E E 6.73 25.06 14.77 40.43 119.11 -146.85 -101.21 136.62 11.43 88.56 0.01 10.85 0.34 0.02 0.00 0.00 0.00 88.63 0.16 114 N E E 76.01 6.48 23.76 30.55 117.06 -153.17 -107.64 126.58 12.83 87.15 0.01 11.72 0.66 0.05 0.00 0.01 0.00 87.18 0.37 115 P E E 61.02 14.24 14.09 28.16 111.90 -118.52 -68.88 136.89 18.07 81.83 0.10 17.45 0.66 0.16 0.03 0.06 0.00 79.78 1.86 116 V C C 71.07 9.71 15.55 25.93 107.74 -166.26 -95.76 78.68 99.12 0.87 0.01 99.14 0.13 0.03 0.00 0.00 0.00 0.66 0.04