# 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 40.80 18.65 14.84 32.61 122.90 -164.30 -111.73 132.54 98.77 1.23 0.01 98.92 0.05 0.01 0.00 0.00 0.00 0.99 0.02 1 Q E E 102.60 5.64 20.24 26.90 119.54 -157.35 -107.43 133.20 45.75 53.67 0.58 44.80 0.68 0.38 0.21 0.29 0.00 52.51 1.14 2 L E E 56.05 17.84 12.77 29.73 118.72 -150.59 -100.10 132.09 32.56 66.00 1.44 29.41 1.77 0.71 0.42 0.91 0.00 65.86 0.93 3 V E E 62.87 9.24 19.05 29.23 121.96 -166.34 -116.18 133.69 28.68 69.75 1.57 25.38 2.17 0.82 0.54 0.95 0.00 68.93 1.20 4 E E E 97.71 11.77 16.91 28.84 116.38 -136.42 -92.66 133.36 38.98 58.37 2.66 31.34 5.35 2.28 0.74 1.87 0.00 57.18 1.23 5 S C C 48.25 12.70 16.29 28.85 108.41 -170.80 -95.11 97.26 66.08 29.80 4.12 45.25 12.94 7.72 0.88 3.27 0.00 28.68 1.25 6 G C C 42.51 8.06 18.55 26.94 106.99 -107.37 85.71 4.95 77.95 19.37 2.68 32.31 27.92 18.57 0.38 2.30 0.00 17.30 1.22 7 G C C 34.22 12.01 17.12 28.70 118.34 30.99 -98.17 176.28 78.93 19.26 1.80 36.09 28.62 14.61 0.19 1.77 0.00 17.60 1.11 8 G C E 29.48 10.48 18.91 29.55 123.77 144.15 116.99 -172.53 58.08 41.46 0.47 38.16 17.90 2.75 0.06 0.49 0.00 39.56 1.07 9 L E E 80.80 11.24 20.79 31.83 120.29 -62.23 -102.62 135.36 22.55 77.27 0.18 18.22 4.15 0.47 0.05 0.16 0.00 75.34 1.61 10 V E E 22.14 20.49 14.81 34.97 122.60 -163.90 -116.43 133.38 9.90 90.05 0.05 8.91 0.81 0.03 0.04 0.02 0.00 77.11 13.08 11 Q C C 93.02 5.80 22.85 28.98 121.25 -138.42 -92.91 147.83 89.59 10.38 0.03 89.48 0.55 0.05 0.01 0.01 0.00 9.36 0.54 12 P C T 72.00 11.81 14.93 27.06 110.09 -87.43 -59.66 137.49 98.87 0.93 0.20 0.49 2.73 95.90 0.01 0.15 0.00 0.65 0.07 13 G C T 50.55 3.42 19.29 23.31 96.30 22.45 87.41 -5.60 99.17 0.68 0.15 0.73 3.46 95.07 0.01 0.13 0.00 0.57 0.03 14 G C C 22.91 9.47 15.85 26.72 127.51 117.33 -89.66 171.13 87.29 12.66 0.04 75.55 11.13 0.21 0.01 0.05 0.00 12.46 0.59 15 S E E 55.95 8.92 20.62 30.53 131.20 -127.37 -128.80 152.74 24.44 75.54 0.01 24.50 0.48 0.03 0.00 0.01 0.00 74.22 0.76 16 L E E 17.37 22.81 15.76 38.27 126.90 -159.95 -125.37 140.37 1.49 98.51 0.00 1.41 0.03 0.00 0.00 0.00 0.00 98.49 0.06 17 R E E 118.07 7.63 24.88 33.29 118.90 -152.48 -113.22 128.84 0.59 99.41 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.41 0.02 18 L E E 8.57 25.07 16.44 41.70 124.02 -169.80 -116.91 135.18 2.21 97.78 0.01 2.07 0.08 0.01 0.00 0.00 0.00 97.79 0.06 19 S E E 44.45 9.30 26.44 36.12 127.06 -167.41 -118.16 144.47 13.48 86.48 0.04 11.80 1.01 0.08 0.01 0.02 0.00 86.86 0.21 20 C E E 9.51 24.49 16.27 40.55 131.05 -172.17 -135.00 146.75 26.59 73.25 0.15 23.64 2.12 0.24 0.05 0.10 0.00 72.99 0.86 21 A E E 47.42 8.31 26.10 34.74 119.28 -149.64 -103.71 135.14 29.52 70.06 0.42 25.84 2.78 0.57 0.16 0.30 0.00 65.58 4.77 22 A C C 14.19 23.06 13.57 35.92 120.12 -163.82 -107.58 126.61 60.61 38.20 1.19 54.87 3.83 1.24 0.31 0.93 0.00 35.78 3.04 23 S C T 69.64 5.40 19.70 26.11 114.36 -146.67 -90.52 138.05 69.00 29.06 1.95 17.92 16.65 36.30 0.25 1.73 0.01 25.13 2.01 24 G C T 56.24 2.24 19.88 21.93 96.43 14.23 81.77 1.22 80.79 17.68 1.54 13.32 27.77 39.59 0.16 1.42 0.00 16.91 0.84 25 L C C 37.91 19.72 10.54 29.21 119.27 126.64 -96.46 139.42 71.84 26.89 1.27 59.63 9.74 1.92 0.31 1.10 0.00 24.84 2.47 26 T C C 86.94 3.81 22.94 27.22 117.75 -151.51 -107.99 129.41 59.69 39.39 0.93 51.69 4.86 1.55 0.35 0.66 0.00 33.70 7.20 27 V C C 30.38 21.61 11.44 31.86 120.25 -161.39 -111.26 131.84 64.62 32.79 2.59 50.10 9.70 3.98 0.88 1.91 0.00 28.06 5.36 28 S C C 70.17 4.29 21.24 25.67 102.18 -171.29 -98.24 -6.12 78.98 18.17 2.85 46.66 21.23 11.81 0.51 2.58 0.00 14.70 2.51 29 S C S 44.50 9.85 18.42 28.68 129.92 36.08 -125.90 163.68 88.68 8.07 3.25 19.50 45.12 24.42 0.42 2.70 0.00 6.81 1.02 30 N C S 70.70 12.58 18.41 30.95 98.97 -122.56 -93.97 2.70 84.84 13.60 1.57 16.85 51.80 15.43 0.14 1.40 0.00 13.54 0.84 31 Y E E 67.99 11.76 23.06 35.51 130.46 71.29 -126.32 146.93 28.52 71.20 0.28 22.17 5.44 1.01 0.04 0.26 0.00 70.43 0.65 32 M E E 5.08 25.49 18.55 44.40 128.11 -165.75 -126.70 143.94 4.62 95.37 0.01 4.26 0.23 0.02 0.00 0.00 0.00 95.35 0.14 33 N E E 32.92 14.18 27.69 42.12 127.08 -163.60 -120.13 142.74 1.26 98.73 0.00 1.16 0.04 0.00 0.00 0.00 0.00 98.78 0.02 34 W E E 8.38 24.69 21.08 45.75 128.15 -161.88 -122.86 144.07 0.87 99.12 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.20 0.01 35 V E E 17.81 16.41 24.27 40.91 128.55 -168.33 -124.61 141.94 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 36 R E E 49.51 16.76 21.36 37.61 124.39 -161.33 -115.91 140.27 0.60 99.40 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.01 37 Q E E 59.84 12.38 18.59 31.53 117.27 -148.24 -103.10 129.65 4.99 95.00 0.01 4.54 0.25 0.01 0.00 0.00 0.00 94.92 0.28 38 A C C 28.44 10.75 13.97 26.43 118.01 -134.56 -80.19 152.10 80.39 19.48 0.13 77.57 1.62 0.30 0.02 0.09 0.00 19.76 0.64 39 P C T 94.48 5.29 12.44 19.53 109.48 -83.54 -58.90 134.94 95.83 0.33 3.84 0.55 4.14 90.58 0.06 4.39 0.00 0.20 0.08 40 G C T 69.50 0.29 13.12 10.78 95.89 15.04 81.90 -3.88 95.65 0.13 4.23 0.59 3.80 90.58 0.07 4.85 0.00 0.07 0.04 41 K C S 131.64 3.19 11.73 16.43 109.64 75.77 -106.62 -0.11 88.84 5.05 6.11 15.64 43.47 29.24 0.32 6.93 0.00 3.28 1.11 42 G C C 34.48 3.81 16.54 21.33 127.48 -113.27 91.96 -168.75 75.64 24.19 0.17 58.25 15.92 1.30 0.02 0.18 0.00 23.13 1.19 43 L E E 64.13 14.76 13.38 28.13 115.83 -30.53 -77.37 138.14 32.90 67.07 0.03 30.51 1.15 0.07 0.00 0.03 0.00 67.98 0.26 44 E E E 70.81 10.58 20.95 32.04 128.44 -171.05 -127.49 142.76 2.33 97.67 0.00 1.97 0.15 0.01 0.00 0.00 0.00 97.81 0.06 45 W E E 81.18 16.17 20.44 36.19 111.40 -112.88 -74.00 128.94 0.79 99.21 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.21 0.01 46 V E E 8.61 21.54 21.83 43.57 101.98 175.42 -100.61 -29.52 7.43 92.57 0.00 4.69 1.93 0.02 0.00 0.00 0.00 93.35 0.01 47 S E E 4.06 21.65 23.36 45.07 142.44 -2.28 -156.60 155.56 0.92 99.08 0.00 0.70 0.07 0.00 0.00 0.00 0.00 99.22 0.00 48 V E E 16.99 18.18 24.76 42.78 126.98 -157.23 -129.48 136.67 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 49 F E E 23.49 18.62 20.39 39.34 116.62 -152.83 -108.27 124.34 0.51 99.49 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.41 0.11 50 Y C C 57.91 11.37 18.62 30.99 125.90 -169.92 -109.99 155.89 66.01 33.95 0.04 64.17 1.11 0.09 0.01 0.02 0.00 33.94 0.66 51 P C T 77.61 10.39 14.48 25.34 102.16 -96.78 -62.09 123.87 97.29 1.27 1.45 1.01 4.17 92.17 0.04 1.51 0.00 0.97 0.14 52 G C T 61.62 1.12 16.14 16.34 95.06 26.28 76.62 -2.23 98.26 0.19 1.54 0.51 3.70 93.87 0.03 1.72 0.00 0.12 0.04 53 G C S 43.98 6.44 14.05 21.41 102.52 -91.76 93.80 2.38 96.29 1.16 2.55 14.68 72.10 9.38 0.16 2.55 0.00 0.71 0.41 54 S C C 56.28 4.92 17.15 23.13 119.98 130.20 -81.76 153.31 91.05 8.91 0.04 88.22 2.31 0.23 0.01 0.03 0.00 8.82 0.39 55 T E E 53.62 16.86 13.61 29.92 128.08 -155.57 -125.52 142.39 4.43 95.56 0.01 4.18 0.20 0.01 0.00 0.00 0.00 94.87 0.73 56 F E E 74.78 10.56 21.93 33.04 130.83 -172.43 -131.96 145.30 1.91 98.08 0.00 1.69 0.11 0.01 0.00 0.00 0.00 98.04 0.14 57 Y E E 84.71 16.35 17.82 33.38 127.79 -155.91 -119.43 144.16 14.04 85.92 0.04 13.17 0.76 0.06 0.01 0.03 0.00 85.02 0.95 58 A C C 13.59 18.25 13.13 31.83 113.71 -110.64 -69.61 140.43 92.56 7.09 0.35 89.66 2.57 0.39 0.09 0.21 0.00 6.56 0.52 59 D H G 115.78 1.94 18.57 20.90 92.24 -125.49 -61.39 -31.72 46.51 0.49 53.00 2.03 5.68 37.64 2.96 51.19 0.00 0.29 0.21 60 S H G 59.54 7.54 17.51 26.11 90.80 62.34 -69.81 -19.56 46.09 0.19 53.73 0.69 3.08 41.90 2.40 51.73 0.00 0.10 0.09 61 V H G 8.67 22.58 11.00 33.73 98.01 42.81 -102.77 -3.15 47.79 0.71 51.50 1.90 4.49 40.56 3.09 49.21 0.01 0.43 0.32 62 R C T 138.18 7.23 14.89 24.56 110.23 123.01 -60.61 130.72 92.09 2.37 5.54 2.36 3.65 86.94 1.57 2.88 0.01 1.15 1.43 63 G C T 62.18 1.24 18.74 18.94 93.82 14.62 80.76 -2.37 94.62 0.35 5.03 0.73 3.11 91.71 0.64 3.46 0.00 0.23 0.12 64 R C T 85.04 12.61 17.18 29.97 99.71 79.11 -99.26 -20.98 94.25 1.13 4.62 5.07 17.98 71.37 0.60 3.75 0.00 1.03 0.20 65 F E E 8.29 24.51 12.52 37.36 133.72 37.95 -133.71 150.06 16.57 83.29 0.14 12.63 3.95 0.34 0.05 0.10 0.00 80.39 2.54 66 T E E 62.40 6.29 26.66 33.54 126.26 -162.36 -123.13 142.20 2.85 97.14 0.01 2.72 0.10 0.00 0.00 0.00 0.00 97.05 0.12 67 I E E 22.08 24.02 14.73 38.42 122.73 -158.64 -118.68 131.23 1.87 98.13 0.00 1.84 0.04 0.00 0.00 0.00 0.00 98.08 0.04 68 S E E 45.90 6.84 25.17 32.42 133.17 173.23 -134.58 152.53 2.64 97.35 0.00 2.39 0.10 0.01 0.00 0.00 0.00 97.46 0.05 69 R E E 87.41 17.40 13.75 30.35 122.68 -148.22 -112.56 134.75 5.35 94.62 0.03 4.68 0.47 0.05 0.00 0.01 0.00 94.46 0.32 70 D E E 55.45 7.75 15.28 24.85 109.14 -146.57 -101.36 110.34 27.14 72.75 0.10 25.80 1.12 0.17 0.03 0.07 0.00 71.47 1.35 71 N C T 108.46 5.33 12.80 20.25 93.69 -163.54 -68.73 -24.67 90.01 0.56 9.43 1.79 7.77 78.29 0.19 11.41 0.00 0.39 0.15 72 S C T 93.04 0.82 14.99 14.48 94.84 56.62 -73.00 -31.93 89.11 0.70 10.19 0.98 6.83 79.40 0.19 11.94 0.00 0.43 0.23 73 K C T 107.75 5.52 15.26 21.64 97.82 30.15 -97.00 -1.52 90.92 0.20 8.88 1.60 9.57 77.40 0.16 11.07 0.00 0.11 0.08 74 N C T 58.81 12.63 15.88 29.38 95.90 -130.06 56.49 41.28 99.42 0.27 0.31 8.33 8.58 82.54 0.04 0.26 0.00 0.21 0.04 75 T E E 25.16 12.69 21.09 34.95 133.21 121.74 -130.49 152.98 14.00 85.98 0.02 11.90 1.77 0.11 0.00 0.01 0.00 84.36 1.84 76 L E E 5.83 24.17 18.98 43.71 120.83 -147.63 -112.30 133.84 1.84 98.15 0.00 1.77 0.05 0.00 0.00 0.00 0.00 98.08 0.10 77 Y E E 46.45 13.40 26.51 40.35 121.90 -162.11 -115.81 132.49 1.77 98.23 0.00 1.59 0.04 0.00 0.00 0.00 0.00 98.36 0.01 78 L E E 3.56 25.76 19.84 46.29 119.34 -159.83 -110.91 129.65 0.28 99.72 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.73 0.00 79 Q E E 56.11 11.20 27.11 38.76 118.89 -161.09 -110.40 127.66 0.14 99.86 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.01 80 M E E 8.19 24.44 16.62 41.47 120.61 -168.48 -115.81 128.86 13.04 86.96 0.00 13.43 0.09 0.00 0.00 0.00 0.00 85.70 0.78 81 N C S 70.15 7.37 22.91 30.52 121.66 -152.10 -97.32 152.15 96.53 3.42 0.06 41.85 48.90 5.23 0.00 0.10 0.00 3.73 0.19 82 S C S 61.29 5.35 24.07 29.67 99.82 9.38 59.37 62.05 99.06 0.90 0.04 10.12 83.58 5.41 0.00 0.05 0.00 0.73 0.12 83 L C C 16.82 24.21 11.37 35.36 113.99 -151.02 -72.84 134.21 99.20 0.79 0.01 98.43 0.95 0.01 0.00 0.00 0.00 0.26 0.33 84 R C C 99.81 5.01 24.60 29.72 133.26 -173.79 -129.50 161.49 99.23 0.74 0.03 98.85 0.45 0.01 0.01 0.01 0.00 0.12 0.56 85 A H G 51.74 13.99 15.87 29.68 91.04 -101.87 -59.21 -32.96 3.74 0.03 96.23 0.28 0.28 2.25 0.29 96.88 0.00 0.03 0.00 86 E H G 120.79 4.22 21.98 26.94 90.05 62.45 -70.85 -17.20 3.15 0.05 96.80 0.19 0.23 2.01 0.26 97.26 0.00 0.05 0.00 87 D H G 12.49 21.47 16.69 38.47 94.25 66.48 -82.87 -3.09 4.32 0.06 95.62 0.83 0.48 1.58 0.38 96.67 0.00 0.05 0.00 88 T C C 33.05 17.11 21.75 38.53 113.77 109.71 -79.02 131.76 95.87 3.88 0.25 92.89 3.12 0.20 0.03 0.19 0.00 3.32 0.24 89 A E E 11.78 18.63 23.85 41.81 143.46 139.85 -153.19 171.11 5.33 94.65 0.02 5.06 0.28 0.02 0.01 0.01 0.00 93.93 0.69 90 V E E 25.70 17.06 25.88 42.71 119.37 -102.69 -103.92 132.57 0.89 99.11 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.04 0.03 91 Y E E 6.70 25.12 22.25 47.28 122.28 -161.23 -110.94 136.60 0.64 99.35 0.01 0.58 0.03 0.00 0.00 0.00 0.00 99.36 0.02 92 Y E E 23.93 19.40 27.67 46.14 131.65 -173.13 -127.31 147.67 1.57 98.39 0.04 1.36 0.11 0.02 0.01 0.02 0.00 98.44 0.05 93 C E E 3.62 24.65 23.59 48.09 124.80 -159.42 -117.33 139.36 7.26 92.60 0.13 6.21 0.64 0.10 0.03 0.06 0.00 92.69 0.27 94 A E E 9.59 18.51 24.59 42.88 129.70 -167.34 -125.25 146.09 9.65 90.07 0.27 8.56 0.82 0.18 0.08 0.13 0.00 89.65 0.59 95 R E E 52.23 16.60 20.56 36.81 124.75 -156.54 -117.67 138.53 16.82 82.63 0.54 13.83 2.89 0.72 0.20 0.33 0.00 80.11 1.93 96 D E E 52.21 10.96 17.32 29.20 115.09 -142.67 -101.25 122.77 41.88 57.37 0.75 34.11 6.11 1.60 0.17 0.59 0.00 56.13 1.29 97 H C C 100.48 8.89 13.45 23.36 103.73 -166.29 -90.09 11.86 71.73 25.93 2.34 35.96 23.17 13.48 0.33 2.18 0.00 23.20 1.67 98 S C T 78.42 3.12 12.62 16.95 105.73 45.82 -94.94 40.81 87.36 8.31 4.33 20.35 31.76 35.81 0.45 4.07 0.00 6.09 1.46 99 G C T 58.42 1.79 12.80 15.11 106.86 -40.14 76.89 -31.98 93.50 1.27 5.22 14.89 32.62 45.70 0.49 5.07 0.00 0.74 0.49 100 H C S 140.40 3.29 11.94 16.65 103.42 19.50 -91.61 17.44 89.90 4.58 5.52 21.33 34.99 34.03 0.63 4.90 0.00 2.97 1.14 101 A C C 59.23 6.57 13.39 21.27 115.10 109.04 -97.80 144.00 76.67 19.10 4.23 36.97 28.58 12.57 0.72 3.66 0.01 14.81 2.68 102 L C C 65.60 13.24 13.58 27.00 119.62 -131.67 -98.22 136.70 66.68 31.23 2.09 52.55 9.04 4.11 0.43 1.77 0.00 30.14 1.97 103 D E E 52.75 12.17 18.32 31.01 119.30 -157.89 -106.54 135.26 42.47 56.39 1.14 33.89 6.89 2.19 0.29 0.87 0.00 54.17 1.70 104 I E E 61.66 14.97 18.99 33.60 117.77 -149.80 -102.18 130.15 21.76 77.56 0.68 17.70 3.31 1.05 0.30 0.43 0.00 72.56 4.66 105 W E E 62.72 17.47 18.06 34.83 111.60 -162.26 -97.06 116.60 34.85 64.26 0.90 27.26 5.72 2.66 0.36 0.64 0.00 59.02 4.34 106 G C C 23.32 14.56 19.24 32.95 117.20 -131.40 -12.66 -158.99 69.73 29.78 0.49 38.29 24.75 7.11 0.06 0.50 0.00 28.09 1.19 107 Q C C 108.24 7.24 22.65 30.00 98.89 -45.07 -84.17 -0.95 78.20 21.25 0.54 43.18 29.52 5.58 0.06 0.58 0.00 19.98 1.10 108 G C C 14.15 18.53 17.81 35.00 125.26 -124.43 85.77 175.38 74.47 25.37 0.16 58.49 12.60 1.48 0.02 0.18 0.00 26.61 0.61 109 T E E 25.39 18.02 20.29 37.82 123.92 -91.04 -109.75 139.80 13.86 86.11 0.04 12.38 1.01 0.10 0.01 0.03 0.00 86.03 0.46 110 M E E 82.45 11.05 23.98 34.88 117.45 -138.66 -99.37 129.95 1.47 98.53 0.00 1.33 0.09 0.01 0.00 0.00 0.00 98.49 0.07 111 V E E 10.44 23.38 16.20 39.54 122.73 -168.06 -116.91 132.42 1.16 98.84 0.00 1.10 0.06 0.01 0.00 0.00 0.00 98.79 0.04 112 T E E 61.06 7.27 24.41 32.00 120.27 -156.23 -106.76 135.05 3.45 96.54 0.01 3.33 0.11 0.01 0.00 0.00 0.00 96.30 0.23 113 V E E 23.46 21.22 12.12 32.55 118.57 -154.87 -106.14 130.21 33.79 66.17 0.04 33.22 0.37 0.06 0.01 0.02 0.00 65.26 1.06 114 S C C 62.10 5.66 20.44 26.43 118.41 -164.35 -100.38 150.42 99.73 0.27 0.00 99.74 0.06 0.01 0.00 0.00 0.00 0.18 0.00