# 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 Q C C 113.25 4.99 19.10 25.13 116.43 -150.85 -97.77 127.35 99.40 0.59 0.00 99.42 0.07 0.01 0.00 0.00 0.00 0.49 0.01 1 I C C 37.51 19.66 10.90 29.59 121.32 -164.65 -110.49 133.41 51.30 48.67 0.04 51.34 0.27 0.09 0.01 0.02 0.00 47.54 0.74 2 T E E 72.28 4.55 22.28 27.14 120.00 -164.61 -114.67 135.00 16.55 83.40 0.05 14.96 1.15 0.15 0.02 0.03 0.00 83.13 0.55 3 L E E 34.18 22.00 11.92 32.88 121.37 -156.90 -109.74 132.72 8.93 91.04 0.04 8.49 0.38 0.05 0.01 0.01 0.00 90.65 0.40 4 K E E 109.83 4.91 22.86 28.54 123.82 -169.53 -120.84 138.18 12.10 87.81 0.09 10.92 0.98 0.13 0.03 0.04 0.00 87.34 0.56 5 E E E 80.52 16.09 13.88 29.16 119.16 -134.10 -94.32 137.13 34.05 65.77 0.18 30.45 2.77 0.36 0.04 0.13 0.00 65.07 1.16 6 S C C 54.32 9.09 17.02 26.77 107.67 -163.64 -96.85 21.99 74.27 25.58 0.16 61.44 10.92 0.83 0.03 0.15 0.00 25.59 1.05 7 G C S 32.37 5.33 19.75 25.72 133.17 -82.92 116.05 -177.99 83.18 16.78 0.04 29.25 53.01 0.72 0.00 0.05 0.00 16.48 0.48 8 P C C 74.19 9.53 16.72 26.92 115.66 -37.69 -70.58 145.88 81.19 18.78 0.03 70.29 8.74 0.25 0.00 0.03 0.00 20.36 0.33 9 T E E 34.60 15.94 16.19 32.20 126.28 -164.98 -124.57 140.83 7.81 92.18 0.00 7.30 0.45 0.02 0.00 0.00 0.00 91.69 0.54 10 L E E 88.08 8.34 22.57 31.41 115.66 -135.33 -97.12 127.21 1.08 98.92 0.00 1.04 0.04 0.00 0.00 0.00 0.00 98.84 0.07 11 V E E 14.79 20.94 14.36 35.17 129.54 -177.85 -128.82 146.19 3.09 96.91 0.00 3.19 0.09 0.00 0.00 0.00 0.00 95.99 0.72 12 K C C 104.68 4.58 23.73 28.20 119.11 -121.23 -84.64 149.15 89.75 10.23 0.01 89.63 0.65 0.04 0.00 0.01 0.00 9.21 0.46 13 P C T 43.51 16.87 13.98 30.29 108.26 -94.16 -62.27 139.59 99.68 0.20 0.13 0.22 2.75 96.79 0.00 0.09 0.00 0.11 0.03 14 T C T 89.22 5.50 20.24 26.46 95.22 18.29 76.97 6.12 99.71 0.18 0.11 0.32 2.89 96.57 0.00 0.09 0.00 0.12 0.01 15 Q C C 74.35 8.51 17.18 26.87 125.85 115.33 -90.76 153.64 94.50 5.44 0.07 63.78 30.77 0.30 0.01 0.08 0.00 4.60 0.47 16 T C C 74.82 8.37 18.90 28.29 120.57 -128.60 -100.98 137.68 54.03 45.96 0.00 55.25 0.29 0.01 0.00 0.00 0.00 43.75 0.70 17 L E E 15.39 21.77 14.39 36.09 125.90 -167.72 -121.44 141.52 0.76 99.24 0.00 0.80 0.01 0.00 0.00 0.00 0.00 99.11 0.08 18 T E E 66.16 7.41 24.64 32.63 119.12 -153.31 -113.02 128.25 0.38 99.62 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.01 19 L E E 7.29 24.84 15.77 41.04 120.56 -167.97 -112.84 130.24 2.51 97.49 0.00 2.40 0.06 0.00 0.00 0.00 0.00 97.49 0.04 20 T E E 55.49 7.88 26.43 34.80 121.50 -165.79 -113.92 134.03 17.82 82.17 0.00 17.00 0.32 0.01 0.00 0.00 0.00 82.59 0.08 21 C E E 5.81 25.19 15.32 40.82 126.72 -172.58 -125.56 140.07 21.11 78.88 0.01 20.44 0.39 0.01 0.00 0.00 0.00 79.00 0.15 22 T E E 56.37 7.55 26.68 34.83 125.01 -167.96 -124.78 135.73 3.89 96.09 0.01 3.84 0.16 0.01 0.01 0.00 0.00 95.01 0.97 23 F E E 22.40 23.40 14.39 37.22 122.54 -169.40 -119.24 132.00 11.50 88.44 0.06 10.92 0.57 0.07 0.03 0.03 0.00 86.74 1.64 24 S E E 59.93 6.30 21.57 28.38 120.29 -164.74 -106.08 144.74 45.40 53.92 0.68 24.57 13.58 9.27 0.07 0.72 0.00 50.87 0.92 25 G C S 48.37 4.06 20.42 24.98 100.82 18.12 85.35 -0.48 74.94 24.15 0.91 20.41 40.19 14.38 0.08 0.91 0.00 22.90 1.13 26 F C C 53.89 18.84 12.66 30.48 120.54 122.77 -98.09 143.35 69.98 28.28 1.74 55.08 11.15 3.05 0.49 1.52 0.00 23.50 5.20 27 S C C 53.21 7.33 21.11 28.89 121.15 -149.54 -110.71 141.67 78.73 19.44 1.82 67.79 6.89 3.06 0.57 1.38 0.00 14.54 5.77 28 V C C 57.22 17.24 13.78 30.03 99.22 -142.87 -82.74 -0.56 84.56 10.09 5.35 41.32 22.35 21.95 1.07 4.15 0.01 6.80 2.34 29 T C C 87.54 4.72 18.61 24.05 104.22 83.19 -91.72 8.38 87.86 7.68 4.47 40.12 24.81 23.61 0.83 3.67 0.00 5.09 1.87 30 T C C 70.12 9.82 14.95 25.35 108.49 86.33 -96.55 32.05 88.03 7.74 4.23 38.30 35.35 14.92 0.94 3.30 0.00 4.83 2.34 31 S C S 65.72 7.38 18.20 26.25 111.35 -117.49 -90.27 115.99 88.62 9.20 2.17 22.83 43.08 23.33 0.31 1.87 0.00 7.15 1.44 32 G C C 24.37 11.06 19.61 31.16 106.97 -60.10 89.34 10.05 72.15 26.81 1.04 30.66 25.71 16.28 0.10 1.08 0.00 25.07 1.10 33 V E E 20.14 20.34 18.95 39.03 121.23 136.70 -102.84 136.77 29.61 70.28 0.10 25.89 2.86 0.29 0.02 0.09 0.00 69.98 0.87 34 G E E 7.44 17.63 26.48 43.69 131.74 -168.27 -125.34 157.40 4.90 95.08 0.02 4.29 0.44 0.04 0.00 0.01 0.00 95.04 0.18 35 V E E 2.42 26.66 23.27 50.23 124.95 -147.06 -122.42 136.57 1.19 98.81 0.00 1.07 0.06 0.00 0.00 0.00 0.00 98.83 0.03 36 G E E 4.79 19.48 27.74 46.75 136.79 174.00 -137.08 160.85 0.68 99.32 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.01 37 W E E 8.97 24.35 23.66 47.71 126.89 -141.34 -122.13 141.15 0.59 99.41 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 38 I E E 16.45 18.17 24.19 42.21 128.09 -168.26 -124.98 142.04 0.69 99.31 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.34 0.03 39 R E E 59.40 15.44 21.38 36.50 120.86 -151.11 -106.75 133.87 2.76 97.24 0.00 2.39 0.20 0.01 0.00 0.00 0.00 97.26 0.14 40 Q E E 55.08 12.99 16.82 30.52 116.70 -151.55 -106.89 125.86 40.99 59.00 0.01 37.84 1.92 0.04 0.00 0.01 0.00 59.59 0.60 41 P C C 48.42 8.32 14.22 24.35 117.00 -120.89 -71.04 156.01 98.26 1.69 0.06 95.59 2.21 0.56 0.01 0.04 0.00 1.33 0.26 42 P C T 103.27 3.81 11.88 17.59 109.43 -78.18 -59.36 135.91 99.33 0.10 0.57 0.48 4.23 94.57 0.01 0.62 0.00 0.06 0.03 43 G C T 68.69 0.32 12.66 10.61 96.23 17.39 82.96 -2.70 99.24 0.09 0.67 0.66 4.20 94.28 0.02 0.77 0.00 0.06 0.02 44 K C S 115.26 4.38 9.94 16.43 128.27 92.75 -113.36 163.88 94.72 4.34 0.94 43.66 48.83 2.40 0.16 0.80 0.00 1.87 2.28 45 A C C 74.56 2.46 16.11 18.80 117.05 -95.90 -74.76 151.88 94.35 5.53 0.12 82.43 11.58 0.44 0.03 0.12 0.00 4.69 0.72 46 L C C 57.73 17.48 11.54 28.10 114.12 -104.13 -73.45 138.71 65.21 34.71 0.07 62.35 1.83 0.12 0.01 0.05 0.00 35.20 0.43 47 E E E 76.17 9.48 20.98 31.11 125.84 -165.69 -122.56 139.30 5.11 94.81 0.08 4.53 0.43 0.05 0.02 0.04 0.00 94.72 0.20 48 Y E E 80.13 15.75 19.30 34.62 110.59 -113.86 -75.13 127.15 1.11 98.87 0.02 1.03 0.06 0.01 0.00 0.01 0.00 98.86 0.04 49 L E E 12.73 20.63 20.95 41.79 100.62 177.01 -95.80 -33.69 4.02 95.93 0.04 2.31 1.44 0.10 0.00 0.02 0.00 96.09 0.03 50 A E E 3.80 21.50 22.70 44.61 142.96 -3.89 -157.50 155.33 0.74 99.24 0.01 0.56 0.07 0.01 0.00 0.00 0.00 99.34 0.01 51 L E E 31.90 16.31 25.32 41.21 123.79 -150.99 -121.84 133.50 0.88 99.11 0.01 0.78 0.04 0.00 0.00 0.00 0.00 99.15 0.02 52 I E E 7.93 22.46 20.16 42.92 119.52 -161.59 -114.07 126.37 3.23 96.73 0.05 2.66 0.35 0.05 0.01 0.02 0.00 96.76 0.15 53 Y E E 55.66 12.01 22.58 35.28 117.55 -165.19 -110.65 129.22 14.32 85.45 0.24 10.57 2.86 0.77 0.05 0.18 0.00 85.18 0.38 54 W C E 64.22 16.36 16.03 32.01 104.44 -145.86 -89.53 20.39 52.26 46.00 1.75 20.13 18.50 15.72 0.24 1.53 0.01 42.73 1.15 55 D C S 73.34 6.90 17.05 24.64 110.52 57.07 -102.48 94.18 80.68 17.00 2.32 23.61 28.87 28.80 0.27 2.17 0.00 15.02 1.26 56 D C T 94.84 6.54 14.71 22.19 99.28 -77.81 -65.87 -5.10 93.59 2.85 3.56 15.80 35.68 42.28 0.39 3.21 0.00 2.01 0.63 57 D C S 97.24 4.62 15.41 21.01 102.21 66.03 -92.02 13.66 83.09 13.67 3.25 27.53 28.26 27.91 0.41 2.80 0.00 11.86 1.22 58 K C E 94.28 11.16 13.89 25.47 115.40 117.25 -96.95 126.54 49.80 47.93 2.27 38.22 8.72 3.44 0.57 1.67 0.00 45.35 2.02 59 R E E 111.88 8.56 18.84 28.20 125.63 -174.20 -119.78 140.80 31.93 66.60 1.47 26.40 4.05 1.47 0.75 0.84 0.00 60.97 5.52 60 Y E E 59.19 19.33 13.68 31.89 119.70 -133.57 -96.94 140.53 42.95 55.99 1.06 37.15 3.98 0.81 0.77 0.52 0.00 48.82 7.94 61 S C C 30.24 11.70 15.26 28.17 115.24 -121.72 -85.02 141.53 95.27 4.32 0.41 92.84 2.38 0.36 0.21 0.13 0.00 3.51 0.57 62 T H G 97.06 3.63 16.25 21.14 92.76 -127.82 -63.34 -29.33 33.90 0.71 65.39 5.14 4.60 23.13 22.43 43.92 0.03 0.47 0.27 63 S H G 67.37 4.27 17.50 22.74 91.26 63.33 -67.99 -23.78 34.32 0.43 65.25 2.36 3.32 27.43 21.98 44.40 0.04 0.26 0.21 64 L H G 12.46 21.69 11.05 32.43 96.79 47.32 -95.23 -7.16 29.80 0.52 69.68 3.91 3.58 21.48 21.65 48.82 0.03 0.31 0.22 65 K H T 107.11 12.09 14.77 27.22 93.12 94.41 -60.19 -34.19 45.90 1.22 52.87 4.14 3.68 36.79 21.49 32.25 0.11 0.67 0.87 66 S C T 92.34 1.13 20.47 20.05 92.18 52.55 -75.20 -13.11 63.59 0.26 36.15 1.20 2.90 61.37 10.43 23.76 0.01 0.15 0.20 67 R C T 81.32 13.14 16.74 29.93 100.06 45.84 -100.85 -13.98 71.61 0.62 27.78 2.29 7.42 63.62 6.41 19.54 0.01 0.45 0.25 68 L E E 7.45 24.92 11.91 36.81 131.21 53.44 -127.81 147.50 15.63 84.16 0.21 12.25 3.80 0.26 0.11 0.11 0.00 82.58 0.89 69 T E E 62.73 5.97 26.42 32.83 124.90 -166.96 -121.74 139.62 2.60 97.38 0.03 2.34 0.14 0.02 0.01 0.01 0.00 97.40 0.08 70 I E E 27.86 23.35 13.94 36.76 121.89 -158.71 -116.15 130.46 2.19 97.78 0.02 2.04 0.07 0.01 0.01 0.01 0.00 97.82 0.05 71 T E E 63.10 5.92 24.28 30.48 126.88 -175.51 -125.28 144.13 3.05 96.94 0.01 2.68 0.16 0.01 0.00 0.00 0.00 97.09 0.05 72 K E E 91.45 15.25 13.89 28.68 119.65 -143.73 -104.98 131.71 4.71 95.25 0.04 4.01 0.51 0.06 0.01 0.02 0.00 95.17 0.22 73 D E E 53.15 7.55 15.13 24.74 109.19 -157.20 -108.64 108.29 27.02 72.89 0.09 26.00 0.89 0.12 0.02 0.06 0.00 71.72 1.19 74 T C T 89.66 5.78 12.47 20.56 93.70 -168.76 -67.81 -26.74 87.76 0.82 11.42 2.15 9.27 73.93 0.21 13.67 0.00 0.59 0.18 75 S C T 93.08 0.83 14.75 14.44 93.65 56.06 -70.95 -33.76 86.55 1.03 12.42 1.30 9.17 74.09 0.23 14.22 0.00 0.71 0.28 76 K C T 108.65 4.74 14.92 20.72 97.77 33.32 -96.27 -4.16 88.41 0.25 11.33 2.37 14.70 68.95 0.19 13.55 0.00 0.15 0.09 77 N C T 66.15 11.70 15.71 28.48 95.34 -128.91 56.43 41.61 99.34 0.34 0.32 8.41 12.77 78.14 0.03 0.31 0.00 0.28 0.05 78 Q E E 41.37 12.18 21.38 34.43 136.17 120.35 -135.84 155.25 13.95 86.03 0.02 12.01 1.68 0.12 0.00 0.02 0.00 84.97 1.21 79 V E E 4.55 24.19 18.41 43.41 121.48 -141.16 -113.35 133.81 1.55 98.45 0.00 1.53 0.03 0.00 0.00 0.00 0.00 98.39 0.04 80 V E E 26.95 12.45 26.54 40.00 118.65 -157.92 -111.93 127.07 0.97 99.03 0.00 0.84 0.02 0.00 0.00 0.00 0.00 99.14 0.00 81 L E E 3.17 25.86 19.42 46.09 119.42 -164.13 -109.76 129.17 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 82 T E E 34.01 11.20 27.23 39.25 120.60 -163.48 -113.94 130.50 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 83 M E E 7.17 24.46 17.71 42.59 120.18 -166.36 -114.68 126.85 3.42 96.58 0.00 3.47 0.03 0.00 0.00 0.00 0.00 96.25 0.25 84 T C C 49.70 8.58 23.36 32.31 129.35 -170.48 -119.07 153.80 84.36 15.58 0.06 51.59 27.41 3.84 0.00 0.10 0.00 16.76 0.30 85 N C S 100.10 3.81 23.70 27.98 93.20 11.67 58.49 45.69 98.64 1.33 0.03 11.29 81.17 6.14 0.00 0.05 0.00 1.25 0.11 86 M C C 16.27 24.08 10.71 34.28 115.96 -163.28 -76.11 139.20 98.61 1.37 0.02 96.42 2.24 0.04 0.01 0.01 0.00 0.48 0.81 87 D C C 67.31 5.80 23.98 29.70 126.56 -169.97 -116.51 160.42 99.83 0.14 0.02 99.20 0.65 0.01 0.01 0.01 0.00 0.03 0.10 88 P H G 70.75 12.10 16.76 29.08 91.47 -99.98 -60.33 -27.70 14.67 0.04 85.29 0.42 0.71 11.71 0.52 86.62 0.00 0.03 0.01 89 V H G 81.30 6.95 21.12 28.82 91.11 63.38 -73.07 -15.28 13.45 0.09 86.46 0.38 0.73 10.64 0.50 87.70 0.00 0.06 0.01 90 D H G 14.65 21.75 16.13 37.84 95.21 70.41 -81.39 1.29 14.28 0.33 85.39 5.72 2.18 3.50 0.96 87.37 0.00 0.24 0.02 91 T C C 46.04 15.08 21.63 36.32 112.68 110.15 -83.81 130.45 95.05 4.26 0.69 90.06 4.74 0.49 0.19 0.49 0.00 3.40 0.62 92 A E E 19.18 15.09 22.91 37.94 142.72 109.05 -160.49 172.86 20.84 78.81 0.35 18.82 1.52 0.27 0.19 0.22 0.00 76.61 2.36 93 T E E 37.16 13.80 24.93 38.86 119.99 -95.95 -102.71 136.40 5.40 94.37 0.23 4.83 0.61 0.18 0.10 0.15 0.00 93.62 0.50 94 Y E E 8.36 24.79 19.93 44.79 125.98 -165.97 -117.98 139.76 3.74 95.79 0.47 3.13 0.64 0.29 0.18 0.27 0.00 95.25 0.25 95 Y E E 34.13 17.45 27.35 44.14 129.42 -170.02 -123.05 146.26 5.76 93.66 0.58 4.75 0.77 0.35 0.21 0.31 0.00 93.36 0.24 96 C E E 3.98 24.63 22.76 47.08 126.62 -160.54 -119.84 142.43 16.32 82.89 0.79 13.56 1.88 0.55 0.30 0.38 0.00 82.82 0.53 97 A E E 9.17 18.65 24.38 42.84 129.00 -166.31 -123.66 145.74 17.26 81.92 0.82 15.06 1.82 0.57 0.34 0.38 0.00 80.86 0.97 98 R E E 52.80 16.94 21.28 37.63 122.80 -155.70 -113.65 136.85 19.70 79.61 0.69 16.07 3.57 0.90 0.28 0.39 0.00 76.95 1.84 99 H E E 58.54 13.24 18.28 31.96 121.03 -155.74 -110.55 134.70 34.67 64.75 0.58 26.82 7.29 1.53 0.16 0.42 0.00 62.58 1.22 100 T C E 68.91 8.51 16.34 25.73 111.67 -152.62 -98.98 125.91 57.48 41.93 0.59 37.80 16.59 3.35 0.10 0.54 0.00 40.54 1.07 101 I C C 77.43 8.09 12.26 21.86 118.38 -155.59 -106.00 135.32 74.97 23.26 1.77 38.67 24.93 12.41 0.31 1.57 0.00 20.02 2.09 102 P C T 97.26 3.46 12.71 17.44 104.81 -93.30 -69.43 113.98 93.56 2.67 3.77 23.86 25.26 44.63 0.59 3.18 0.00 1.89 0.60 103 S C T 82.53 3.14 13.40 17.64 102.67 13.78 -85.55 16.19 89.75 4.70 5.55 22.37 26.37 41.61 0.91 4.43 0.00 3.33 0.96 104 I C C 82.11 8.46 12.86 22.45 115.18 91.21 -103.64 130.70 69.86 24.80 5.33 33.39 21.07 17.96 1.26 3.85 0.03 19.51 2.93 105 F C C 82.69 12.52 13.64 26.62 119.56 -155.66 -105.76 133.66 55.55 40.81 3.64 38.15 11.41 7.19 1.04 2.58 0.01 36.78 2.84 106 D E E 54.39 11.75 17.62 30.01 120.53 -163.97 -111.90 135.30 43.79 53.08 3.14 31.18 9.43 5.16 0.89 2.19 0.01 49.20 1.93 107 Y E E 95.03 13.32 18.96 32.05 118.83 -147.76 -102.19 132.28 35.62 61.61 2.77 26.87 6.44 3.91 1.06 1.78 0.01 56.45 3.47 108 W E E 61.74 17.57 17.51 34.40 110.22 -163.11 -100.99 87.15 47.45 49.95 2.60 32.87 9.26 6.94 0.97 1.83 0.02 43.01 5.09 109 G C C 23.65 13.39 19.73 32.58 122.25 -149.67 77.60 -161.84 73.45 24.68 1.87 34.65 25.30 14.74 0.29 1.63 0.01 21.53 1.85 110 Q C S 97.93 8.89 21.71 30.60 99.16 -35.24 -80.15 1.29 77.03 20.94 2.02 26.60 34.14 17.04 0.23 1.80 0.00 18.65 1.54 111 G C C 13.85 17.83 18.79 35.56 125.65 -121.38 91.94 173.94 66.32 32.91 0.77 39.27 19.66 7.16 0.09 0.81 0.00 32.04 0.98 112 I E E 24.22 19.83 20.01 39.46 120.02 -98.18 -106.90 133.26 20.50 79.42 0.08 18.15 1.71 0.18 0.02 0.05 0.00 79.36 0.52 113 L E E 68.67 11.04 24.92 36.01 115.85 -142.25 -94.06 129.27 3.29 96.70 0.01 2.97 0.19 0.02 0.00 0.00 0.00 96.71 0.09 114 V E E 8.27 24.31 16.62 41.21 121.91 -168.34 -115.84 132.10 1.05 98.95 0.00 1.00 0.05 0.01 0.00 0.00 0.00 98.91 0.03 115 T E E 55.58 7.83 25.47 33.80 120.69 -155.30 -107.77 134.35 1.37 98.62 0.00 1.30 0.06 0.01 0.00 0.00 0.00 98.57 0.06 116 V E E 19.68 21.93 13.43 34.82 120.44 -157.71 -108.32 133.36 9.08 90.88 0.04 8.44 0.45 0.05 0.01 0.02 0.00 90.53 0.49 117 S E E 52.59 6.82 18.21 25.83 126.54 -166.72 -113.19 156.71 43.51 56.41 0.08 41.99 0.88 0.16 0.02 0.04 0.00 55.42 1.50 118 S C C 71.97 6.97 15.69 23.67 107.08 -100.36 -78.29 132.93 99.65 0.34 0.01 99.56 0.15 0.03 0.00 0.00 0.00 0.25 0.01