# 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 A C C 51.38 8.72 20.53 29.43 116.95 -156.50 -100.53 131.02 99.65 0.34 0.00 99.65 0.07 0.01 0.00 0.00 0.00 0.26 0.01 1 I C C 34.03 20.24 12.61 32.06 118.60 -149.79 -101.80 131.63 56.10 43.83 0.07 55.47 0.46 0.10 0.02 0.03 0.00 43.34 0.57 2 R E E 128.04 5.14 21.88 27.98 121.08 -164.38 -114.85 131.93 14.73 85.17 0.09 13.50 1.08 0.17 0.03 0.05 0.00 84.53 0.64 3 M E E 37.70 21.12 13.05 33.31 123.16 -163.76 -112.92 134.97 8.76 91.18 0.06 8.18 0.51 0.08 0.02 0.03 0.00 90.57 0.61 4 T E E 63.03 7.54 21.81 29.95 125.13 -170.75 -121.16 141.89 14.60 85.30 0.10 13.06 1.26 0.18 0.04 0.06 0.00 84.06 1.35 5 Q E E 69.14 15.50 15.52 30.57 125.14 -161.90 -120.20 139.46 46.27 53.59 0.14 36.54 9.13 0.64 0.03 0.13 0.00 52.16 1.37 6 S C C 53.98 9.53 17.80 27.98 121.19 -136.46 -99.36 149.68 85.24 14.66 0.10 62.30 21.44 0.84 0.01 0.10 0.00 14.65 0.66 7 P C C 57.74 9.16 16.99 26.97 115.32 16.06 -73.96 152.14 92.59 7.17 0.25 69.43 20.10 2.42 0.03 0.30 0.00 7.29 0.44 8 S C S 62.87 10.09 16.58 27.27 97.75 -152.54 -86.91 -19.79 81.48 18.36 0.16 30.02 48.69 1.72 0.01 0.17 0.00 18.93 0.46 9 T E E 69.81 6.86 20.22 28.27 131.61 28.54 -137.54 142.57 15.42 84.50 0.07 12.48 2.60 0.21 0.01 0.07 0.00 84.25 0.37 10 L E E 29.36 19.92 14.88 34.27 129.78 -175.51 -136.30 143.12 2.04 97.95 0.00 1.84 0.12 0.00 0.00 0.00 0.00 97.92 0.10 11 S E E 62.87 6.91 23.36 31.45 125.70 -161.03 -121.86 140.84 1.95 98.04 0.00 1.81 0.10 0.01 0.00 0.00 0.00 97.97 0.11 12 A E E 11.95 19.38 14.80 34.38 138.60 167.84 -147.46 160.21 15.07 84.91 0.02 13.67 0.71 0.04 0.00 0.02 0.00 85.20 0.35 13 S E E 53.87 5.07 23.63 28.51 124.03 -115.01 -89.57 159.54 36.51 63.31 0.19 32.49 2.97 0.44 0.08 0.15 0.00 57.87 6.01 14 V C T 63.17 14.67 14.22 28.87 109.17 -81.11 -59.64 134.65 98.73 0.84 0.43 0.46 3.74 94.88 0.02 0.30 0.00 0.48 0.12 15 G C T 46.26 4.08 19.87 24.64 95.82 22.86 89.09 -6.38 99.49 0.23 0.28 0.68 4.46 94.43 0.01 0.23 0.00 0.15 0.03 16 D C C 58.36 9.38 16.66 27.25 121.37 121.66 -79.02 151.78 96.54 3.30 0.16 61.84 34.50 0.57 0.03 0.14 0.00 2.43 0.49 17 R C C 130.22 7.78 19.41 28.47 120.80 -127.49 -101.35 137.41 75.73 24.26 0.01 76.44 0.47 0.03 0.00 0.01 0.00 22.46 0.59 18 V E E 12.41 22.08 14.53 36.59 128.31 -170.41 -127.82 143.51 1.04 98.96 0.00 1.08 0.02 0.00 0.00 0.00 0.00 98.81 0.10 19 T E E 63.79 7.84 24.81 33.15 118.31 -146.53 -108.06 129.02 0.38 99.62 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 20 I E E 5.35 25.40 16.33 42.48 120.64 -167.72 -115.67 129.20 1.42 98.57 0.00 1.34 0.03 0.00 0.00 0.00 0.00 98.62 0.01 21 T E E 44.49 9.22 26.82 36.76 120.82 -163.85 -112.88 135.09 5.02 94.98 0.00 4.58 0.11 0.00 0.00 0.00 0.00 95.28 0.03 22 C E E 4.46 25.58 16.55 42.59 127.52 -172.10 -127.81 140.33 4.87 95.13 0.00 4.48 0.14 0.01 0.00 0.00 0.00 95.29 0.07 23 R E E 102.41 7.40 27.33 35.54 122.30 -163.20 -119.25 133.03 3.51 96.47 0.01 3.31 0.14 0.01 0.00 0.01 0.00 95.89 0.64 24 A E E 8.52 23.96 13.89 37.58 123.17 -163.20 -107.87 143.11 34.16 65.49 0.36 32.84 1.23 0.20 0.14 0.20 0.00 63.68 1.70 25 S C C 51.39 7.39 20.76 28.54 111.90 -149.07 -91.48 154.10 85.10 13.75 1.15 42.64 38.72 3.78 0.16 1.06 0.00 12.82 0.82 26 Q C S 109.71 5.62 18.77 24.96 103.21 -14.45 -87.69 4.01 92.29 4.85 2.86 17.25 64.06 11.49 0.46 2.17 0.00 3.71 0.87 27 T C C 74.48 6.98 18.94 26.59 115.89 41.29 -98.51 134.90 92.95 3.91 3.14 60.33 21.74 10.59 0.51 3.09 0.00 2.70 1.04 28 I C C 51.22 17.39 14.87 31.52 106.45 -149.69 -89.80 77.76 87.79 6.27 5.94 53.23 21.54 12.82 1.10 5.25 0.00 3.66 2.40 29 N C C 61.56 11.98 19.61 31.55 116.70 89.08 -100.52 146.42 87.54 5.80 6.66 54.32 19.14 13.66 0.80 6.68 0.00 4.07 1.33 30 S C S 52.34 10.87 21.59 32.28 98.85 -100.28 -90.17 -9.04 87.19 7.93 4.88 20.14 53.50 13.62 0.39 4.47 0.00 7.01 0.85 31 W E E 67.58 14.80 22.55 37.01 117.53 52.75 -109.70 126.49 41.98 54.42 3.60 26.84 10.25 5.74 0.39 3.37 0.00 52.51 0.90 32 L E E 4.82 25.34 19.80 45.22 126.31 72.30 -121.33 139.73 8.74 91.21 0.04 7.79 0.75 0.07 0.01 0.03 0.00 91.14 0.21 33 A E E 9.62 18.25 27.54 45.58 131.57 -172.70 -129.85 149.58 0.84 99.16 0.00 0.77 0.03 0.00 0.00 0.00 0.00 99.18 0.02 34 W E E 7.76 24.67 23.07 47.59 124.87 -150.45 -113.28 140.91 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 35 Y E E 23.17 17.52 23.93 41.35 132.33 -173.64 -130.22 150.58 0.62 99.38 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.41 0.02 36 Q E E 39.69 14.90 21.37 36.49 120.62 -145.84 -110.07 134.87 3.48 96.51 0.00 2.92 0.27 0.01 0.00 0.00 0.00 96.69 0.09 37 Q E E 51.97 14.04 15.89 30.47 119.82 -152.61 -103.30 136.47 31.56 68.41 0.03 28.35 2.12 0.09 0.01 0.02 0.00 68.24 1.17 38 K C C 97.61 6.40 15.57 23.29 119.15 -139.12 -92.91 145.13 94.46 5.47 0.06 91.77 2.61 0.31 0.02 0.05 0.00 4.30 0.94 39 P C T 101.95 4.13 11.55 17.73 109.36 -82.75 -58.60 134.14 99.57 0.12 0.31 0.35 3.50 95.74 0.01 0.30 0.00 0.07 0.02 40 G C T 68.29 0.38 13.13 11.25 96.41 17.08 83.23 -3.70 99.58 0.10 0.32 0.47 3.52 95.58 0.01 0.34 0.00 0.06 0.01 41 K C S 111.78 4.20 11.35 17.61 129.02 93.25 -115.88 158.68 89.51 10.11 0.38 33.98 54.01 1.75 0.09 0.30 0.00 3.64 6.23 42 A C C 70.46 3.50 16.51 20.76 116.61 -98.42 -72.20 149.57 96.22 3.75 0.02 87.11 9.25 0.14 0.00 0.02 0.00 3.05 0.42 43 P C C 39.85 18.85 11.08 29.05 115.15 -103.76 -66.66 145.52 89.19 10.79 0.02 87.65 1.67 0.09 0.00 0.01 0.00 10.14 0.43 44 K E E 106.80 6.21 21.61 28.65 122.85 -151.34 -115.11 139.27 10.91 89.05 0.04 9.50 1.19 0.09 0.01 0.03 0.00 88.56 0.62 45 L E E 65.48 15.77 17.12 32.46 111.00 -116.44 -76.68 127.49 1.03 98.96 0.01 0.98 0.04 0.00 0.00 0.00 0.00 98.92 0.06 46 L E E 29.71 16.95 20.18 37.09 101.22 176.56 -94.82 -33.04 2.81 97.18 0.01 1.99 0.68 0.02 0.00 0.00 0.00 97.28 0.02 47 I E E 27.52 17.50 20.99 38.40 134.96 8.36 -145.38 141.32 0.89 99.11 0.00 0.71 0.07 0.00 0.00 0.00 0.00 99.19 0.02 48 Y E E 51.85 18.31 19.57 37.06 128.06 -174.24 -132.85 136.60 5.10 94.86 0.03 4.59 0.25 0.02 0.01 0.01 0.00 94.94 0.16 49 D E E 48.14 10.52 23.00 33.83 117.98 -162.19 -110.59 123.45 33.04 65.50 1.45 27.87 4.59 0.96 0.63 0.77 0.00 64.03 1.15 50 A H G 28.64 18.43 14.64 32.28 96.15 -140.32 -65.68 -27.01 35.86 4.26 59.88 12.03 8.02 17.70 12.82 45.34 0.06 3.22 0.80 51 S H G 74.81 3.91 19.17 23.65 93.91 64.72 -72.99 -20.94 37.51 1.76 60.73 8.07 7.21 22.48 14.19 46.25 0.05 1.12 0.61 52 N H G 80.52 7.63 16.96 25.32 99.87 46.86 -94.78 0.01 36.40 2.81 60.79 14.30 8.50 15.22 14.50 44.85 0.04 1.66 0.93 53 L C C 42.75 19.14 10.63 28.06 105.18 97.23 -81.67 37.94 63.33 5.75 30.92 38.61 13.07 11.71 19.00 11.91 0.05 3.03 2.61 54 E C C 129.52 3.98 16.50 21.62 102.08 72.77 -82.08 1.96 66.38 7.38 26.24 32.34 14.10 20.97 14.64 10.63 0.13 4.18 3.00 55 S C T 75.17 4.81 15.67 21.51 105.76 48.95 -86.86 15.48 79.83 3.12 17.06 16.92 19.56 43.66 8.10 8.42 0.06 1.75 1.54 56 G C T 46.11 6.14 16.95 23.96 102.26 -79.72 87.03 2.97 93.75 2.89 3.36 27.21 27.10 39.83 0.69 2.54 0.00 1.74 0.88 57 V C C 36.41 17.33 12.29 29.43 117.24 121.80 -93.60 130.37 88.59 10.90 0.51 60.32 27.75 1.28 0.20 0.33 0.00 5.16 4.97 58 P C C 55.96 9.57 18.30 28.76 111.39 -109.61 -67.20 147.21 91.54 6.67 1.78 73.77 11.62 5.79 0.40 1.61 0.00 4.95 1.87 59 S C C 59.75 11.93 16.64 28.37 100.67 -124.68 -78.07 -10.70 88.33 8.01 3.65 49.59 24.10 14.78 0.40 3.79 0.00 6.23 1.11 60 R C C 114.27 8.87 20.68 29.77 106.22 65.83 -101.29 39.76 69.63 27.11 3.26 38.37 22.56 9.21 0.41 2.92 0.00 25.26 1.25 61 F E E 28.78 22.66 13.13 34.96 122.68 128.41 -108.91 138.91 21.77 77.83 0.40 18.93 2.66 0.49 0.13 0.27 0.00 76.40 1.13 62 S E E 55.81 6.41 23.87 31.56 134.70 -176.52 -138.42 155.91 6.44 93.50 0.06 5.81 0.52 0.07 0.02 0.03 0.00 93.20 0.35 63 G E E 23.22 17.82 15.56 32.34 141.43 163.91 -157.37 167.20 4.45 95.52 0.02 3.85 0.40 0.05 0.00 0.01 0.00 95.49 0.20 64 S E E 65.73 4.67 21.75 28.11 135.47 -163.00 -145.33 155.62 7.82 92.15 0.03 6.78 0.71 0.09 0.01 0.02 0.00 92.12 0.27 65 G E E 29.75 11.36 15.16 27.30 140.44 138.37 -156.27 167.00 23.88 76.03 0.09 17.74 5.85 0.74 0.01 0.10 0.00 74.93 0.62 66 S C E 78.47 2.91 20.51 23.83 118.58 -114.99 -121.01 130.07 51.93 47.81 0.26 39.68 10.52 2.10 0.05 0.28 0.00 45.20 2.18 67 G C S 36.13 8.66 19.00 27.97 109.78 -47.68 64.98 -126.17 98.81 0.81 0.37 1.55 51.62 45.81 0.01 0.35 0.00 0.58 0.09 68 T C S 52.67 14.87 16.20 31.02 97.73 -10.08 -98.12 0.84 98.86 0.85 0.29 1.59 51.43 45.98 0.01 0.27 0.00 0.65 0.07 69 E E E 77.82 8.77 22.45 32.40 121.75 84.36 -107.82 133.41 29.13 70.80 0.07 21.38 7.60 0.53 0.01 0.08 0.00 68.44 1.95 70 F E E 6.84 24.79 15.97 41.31 127.93 -173.25 -125.83 141.17 9.33 90.67 0.00 9.07 0.18 0.01 0.00 0.00 0.00 90.54 0.20 71 T E E 34.60 10.05 27.15 38.34 120.81 -157.37 -116.98 132.00 2.10 97.90 0.00 1.84 0.05 0.00 0.00 0.00 0.00 98.09 0.02 72 L E E 2.87 26.20 18.79 45.95 119.70 -164.55 -113.84 128.21 0.21 99.79 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 73 T E E 38.86 10.10 27.31 38.28 119.61 -164.15 -114.59 128.92 0.09 99.91 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 74 I E E 7.01 24.27 16.58 41.42 117.00 -166.31 -113.46 123.57 2.30 97.70 0.00 2.38 0.02 0.00 0.00 0.00 0.00 97.32 0.28 75 S C C 46.71 7.28 23.05 30.56 122.06 -164.70 -108.69 160.12 94.93 5.04 0.04 53.07 38.30 2.67 0.00 0.07 0.00 5.71 0.18 76 S C S 68.36 4.18 24.17 28.48 96.51 10.65 57.50 55.33 99.35 0.63 0.02 9.38 87.04 2.98 0.00 0.02 0.00 0.51 0.06 77 L C C 17.91 23.93 10.44 33.88 114.07 -148.08 -74.01 135.80 99.48 0.50 0.01 98.21 1.32 0.02 0.00 0.00 0.00 0.16 0.27 78 Q C C 79.43 4.87 23.90 28.69 130.69 -174.80 -125.40 155.64 99.89 0.10 0.02 99.58 0.33 0.00 0.00 0.00 0.00 0.02 0.06 79 P H G 70.73 12.37 15.29 27.95 91.13 -104.85 -58.86 -31.70 3.65 0.02 96.34 0.15 0.19 2.34 0.21 97.09 0.00 0.01 0.00 80 D H G 102.75 3.24 21.34 25.16 89.97 62.03 -73.20 -12.90 3.00 0.02 96.97 0.09 0.15 2.02 0.15 97.58 0.00 0.02 0.00 81 D H G 15.15 20.40 15.73 36.52 93.56 65.81 -86.39 -1.19 4.32 0.06 95.61 0.73 0.46 1.63 0.27 96.85 0.00 0.05 0.00 82 F C C 59.79 15.78 19.97 35.78 116.47 110.67 -74.00 139.83 92.10 7.75 0.15 88.53 3.76 0.11 0.02 0.13 0.00 7.05 0.39 83 A E E 14.04 16.17 22.49 38.74 145.26 147.00 -158.70 172.51 8.35 91.64 0.01 7.83 0.39 0.01 0.00 0.00 0.00 91.34 0.42 84 T E E 37.65 12.44 25.34 38.33 120.58 -85.79 -104.66 137.47 0.67 99.33 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.31 0.02 85 Y E E 6.81 25.40 19.21 44.86 125.78 -165.89 -116.61 140.22 0.41 99.59 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.61 0.01 86 Y E E 37.27 15.17 27.37 42.65 128.19 -167.54 -123.67 145.03 1.25 98.75 0.00 1.07 0.06 0.00 0.00 0.00 0.00 98.84 0.03 87 C E E 2.65 25.65 21.28 47.29 123.59 -159.44 -114.97 138.53 4.80 95.17 0.03 4.12 0.38 0.04 0.00 0.02 0.00 95.36 0.08 88 Q E E 26.95 15.48 26.23 41.68 128.54 -170.99 -123.52 144.28 2.43 97.54 0.03 2.10 0.15 0.02 0.01 0.01 0.00 97.64 0.07 89 Q E E 20.15 19.83 20.13 39.74 124.19 -158.88 -115.08 137.24 2.76 97.20 0.04 2.34 0.23 0.04 0.01 0.02 0.00 97.26 0.11 90 Y E E 60.20 12.33 18.95 32.26 123.15 -160.91 -116.50 136.50 11.87 88.02 0.10 9.96 1.55 0.24 0.03 0.08 0.00 87.45 0.69 91 E C C 72.91 10.35 14.28 25.71 117.71 -171.21 -112.05 130.18 60.39 39.32 0.29 48.90 8.24 1.47 0.04 0.27 0.00 40.23 0.84 92 S C S 78.94 3.68 13.96 18.67 104.17 -84.50 -70.50 -26.23 96.02 3.16 0.82 10.13 45.46 40.58 0.05 0.85 0.00 2.59 0.35 93 Y C S 176.10 2.17 12.84 15.77 101.93 -7.89 -93.77 -8.61 98.19 1.06 0.74 8.59 50.26 39.39 0.04 0.79 0.00 0.72 0.21 94 S C S 63.66 4.29 12.97 18.89 123.55 37.50 -115.05 140.94 86.88 12.73 0.40 24.28 57.37 5.05 0.04 0.42 0.00 11.62 1.23 95 P C C 77.56 7.08 15.23 23.46 114.11 -102.27 -68.70 146.92 77.15 22.68 0.17 67.09 6.50 1.15 0.02 0.16 0.00 24.51 0.57 96 I E E 48.31 16.59 13.66 30.02 116.98 -131.33 -93.91 135.26 32.22 67.72 0.06 29.57 1.51 0.18 0.01 0.04 0.00 68.12 0.57 97 T E E 56.29 10.38 21.37 32.07 126.25 -164.48 -122.04 141.30 5.60 94.38 0.02 5.12 0.33 0.04 0.01 0.01 0.00 93.14 1.35 98 F E E 46.93 19.73 16.23 35.04 117.65 -139.92 -95.90 134.88 15.27 84.62 0.11 13.20 1.60 0.30 0.04 0.08 0.00 83.21 1.59 99 G C C 18.96 13.56 17.82 31.58 121.16 -131.25 -79.88 171.22 72.76 26.75 0.49 49.69 17.56 4.14 0.05 0.50 0.00 27.31 0.75 100 Q C C 121.18 4.69 22.01 27.14 100.13 -77.70 -75.97 3.32 77.30 21.78 0.92 39.22 27.81 10.51 0.08 0.98 0.00 20.33 1.05 101 G C C 17.65 16.65 17.24 32.94 124.66 -116.83 85.02 172.73 75.51 24.10 0.39 55.41 13.94 4.35 0.04 0.47 0.00 25.15 0.65 102 T E E 25.66 18.23 18.22 36.18 124.76 -103.03 -114.58 141.44 27.30 72.67 0.04 24.92 1.34 0.09 0.01 0.03 0.00 73.17 0.44 103 R E E 117.69 8.69 23.45 32.73 119.50 -145.00 -104.03 132.64 2.03 97.96 0.00 1.84 0.11 0.01 0.00 0.00 0.00 97.92 0.11 104 L E E 15.05 22.80 14.74 37.38 121.63 -164.31 -115.64 132.67 1.27 98.73 0.00 1.24 0.04 0.00 0.00 0.00 0.00 98.66 0.05 105 E E E 93.78 5.80 23.67 29.89 116.71 -156.52 -105.83 128.01 3.60 96.39 0.01 3.50 0.15 0.02 0.00 0.00 0.00 96.09 0.22 106 I E E 26.31 20.93 10.98 31.19 116.13 -156.28 -99.12 126.48 30.26 69.70 0.04 30.44 0.24 0.05 0.01 0.02 0.00 68.37 0.86 107 K C C 129.39 3.85 19.87 24.45 114.30 -160.46 -97.26 131.25 99.64 0.36 0.00 99.67 0.04 0.01 0.00 0.00 0.00 0.27 0.00