# 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 124.12 3.51 12.68 17.76 112.56 -141.83 -85.05 132.93 99.93 0.06 0.01 99.85 0.08 0.03 0.00 0.00 0.00 0.03 0.00 1 E C C 134.02 3.52 11.24 16.63 113.81 -133.25 -88.50 129.79 93.54 5.91 0.54 92.04 0.99 0.96 0.15 0.25 0.00 4.72 0.90 2 V C C 79.99 7.79 10.20 19.54 119.02 -158.18 -102.69 132.90 82.91 16.57 0.53 74.27 6.09 1.17 0.10 0.41 0.00 17.12 0.84 3 V C C 82.21 6.41 14.20 22.13 117.09 -146.92 -100.33 132.73 65.95 33.66 0.40 59.32 4.23 0.66 0.08 0.29 0.00 34.44 0.99 4 I E E 70.83 11.26 13.54 25.79 118.65 -156.95 -107.91 130.14 42.90 56.91 0.19 38.95 2.67 0.30 0.04 0.13 0.00 57.08 0.82 5 H E E 66.02 11.82 16.13 28.88 121.25 -166.47 -111.95 135.19 24.65 75.25 0.10 21.33 2.50 0.23 0.02 0.06 0.00 75.52 0.33 6 K E E 90.38 9.94 19.71 30.24 123.86 -156.78 -118.95 135.61 11.35 88.61 0.04 10.39 0.83 0.06 0.01 0.02 0.00 88.46 0.22 7 I E E 20.27 20.19 15.77 36.22 123.39 -167.06 -121.46 132.65 3.63 96.36 0.01 3.57 0.11 0.01 0.00 0.00 0.00 96.23 0.08 8 R E E 99.81 8.50 23.47 32.56 117.57 -156.68 -110.13 126.72 2.17 97.83 0.00 2.09 0.07 0.00 0.00 0.00 0.00 97.81 0.03 9 I E E 10.87 23.36 16.46 40.25 120.92 -167.29 -116.09 129.51 1.26 98.73 0.00 1.30 0.02 0.00 0.00 0.00 0.00 98.66 0.02 10 N E E 58.72 8.98 25.70 35.34 118.64 -162.17 -110.88 127.67 0.84 99.16 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.15 0.02 11 L E E 7.06 24.74 16.98 42.21 123.78 -170.39 -119.61 135.81 1.31 98.69 0.00 1.32 0.02 0.00 0.00 0.00 0.00 98.63 0.03 12 T E E 51.67 9.36 25.63 35.50 126.93 -169.28 -124.20 141.58 4.30 95.70 0.01 4.09 0.15 0.01 0.00 0.00 0.00 95.59 0.16 13 S E E 10.64 19.98 14.75 35.01 137.94 163.33 -147.84 159.11 28.07 71.88 0.04 27.17 1.00 0.07 0.01 0.03 0.00 70.47 1.25 14 T C S 87.70 5.43 20.44 26.71 95.58 -140.92 -88.87 -12.20 99.30 0.67 0.03 2.78 96.07 0.66 0.00 0.01 0.00 0.42 0.05 15 K C C 95.15 6.29 19.43 26.72 110.14 74.06 -102.64 105.45 98.94 0.90 0.16 61.50 37.03 0.59 0.08 0.06 0.00 0.34 0.41 16 V H H 55.46 15.40 13.44 28.96 93.58 -166.47 -62.80 -37.89 3.43 0.01 96.56 0.78 0.54 1.88 95.01 1.77 0.00 0.00 0.00 17 K H H 140.66 1.59 21.15 21.73 91.74 54.23 -63.64 -40.44 2.16 0.01 97.83 0.23 0.19 1.61 95.70 2.26 0.00 0.00 0.00 18 Q H H 65.74 7.74 19.45 28.18 92.03 48.35 -66.03 -39.46 1.30 0.01 98.69 0.26 0.10 0.83 96.09 2.71 0.00 0.00 0.00 19 L H H 5.58 24.42 13.94 38.55 91.54 52.02 -63.62 -42.82 0.35 0.00 99.65 0.08 0.03 0.17 99.47 0.26 0.00 0.00 0.00 20 E H H 84.53 10.67 21.68 32.16 91.43 51.53 -63.17 -41.39 0.13 0.00 99.87 0.02 0.00 0.06 99.88 0.03 0.00 0.00 0.00 21 N H H 94.91 2.14 25.87 26.56 91.80 49.76 -64.65 -41.56 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 22 V H H 15.92 17.15 21.32 38.61 91.78 48.97 -64.18 -43.45 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 23 S H H 4.95 23.58 19.39 42.78 91.44 50.70 -63.66 -42.51 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 24 A H H 46.20 5.94 24.30 30.57 91.17 51.58 -63.38 -41.76 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 25 N H H 68.60 5.66 24.86 30.80 91.68 50.04 -64.79 -41.18 0.14 0.00 99.86 0.01 0.00 0.11 99.87 0.01 0.00 0.00 0.00 26 I H H 6.16 23.40 19.80 42.98 91.74 49.76 -64.04 -43.66 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 27 I H H 33.54 16.84 20.78 37.13 91.61 49.93 -63.08 -42.67 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 28 K H H 119.00 2.01 24.98 25.29 91.65 49.67 -63.84 -41.74 0.52 0.00 99.47 0.04 0.02 0.35 99.52 0.06 0.00 0.00 0.00 29 N H H 39.77 9.09 19.85 30.36 92.15 49.38 -65.24 -40.67 1.66 0.00 98.34 0.11 0.09 1.27 98.35 0.18 0.00 0.00 0.00 30 A H H 5.63 20.84 12.59 33.80 91.58 51.55 -64.25 -41.18 2.58 0.02 97.40 0.42 0.23 1.72 97.00 0.60 0.00 0.01 0.00 31 E H H 116.93 4.49 17.16 22.89 91.87 51.52 -64.34 -40.04 3.58 0.02 96.40 0.39 0.22 2.76 95.05 1.55 0.01 0.01 0.00 32 T H H 103.00 1.39 17.11 17.73 91.50 52.18 -66.84 -30.52 10.35 0.02 89.63 0.40 0.43 9.55 88.41 1.17 0.02 0.01 0.01 33 F C T 88.45 9.06 12.52 22.99 96.52 44.64 -95.85 6.26 75.24 0.06 24.70 0.77 2.52 71.13 23.91 1.56 0.01 0.02 0.07 34 K C T 170.40 1.02 18.54 18.39 93.71 -118.68 59.21 39.83 99.54 0.02 0.44 3.16 1.69 94.85 0.21 0.08 0.00 0.01 0.01 35 L C C 27.11 19.78 8.77 27.50 118.60 160.91 -93.13 139.56 97.86 2.10 0.04 95.88 2.00 0.11 0.01 0.02 0.00 1.83 0.15 36 V E E 94.99 3.25 22.99 25.86 112.58 -130.39 -87.53 128.24 48.45 51.48 0.07 47.51 0.91 0.10 0.02 0.04 0.00 50.57 0.85 37 K E E 59.61 20.49 10.74 29.62 121.21 -161.98 -108.45 134.84 10.80 89.15 0.05 10.83 0.30 0.03 0.03 0.02 0.00 84.36 4.42 38 K E E 131.00 3.78 19.04 23.58 107.37 -171.93 -103.97 38.14 23.73 76.22 0.05 19.66 3.59 0.23 0.01 0.03 0.00 75.58 0.88 39 G E E 29.78 5.03 19.87 25.69 133.51 -57.10 113.06 -175.32 45.33 54.65 0.02 16.65 28.21 0.44 0.00 0.02 0.00 54.41 0.28 40 P C E 61.25 13.49 15.32 28.83 115.40 -47.73 -70.79 145.05 52.77 47.21 0.03 47.20 3.67 0.12 0.00 0.02 0.00 48.47 0.52 41 V E E 39.69 14.31 16.38 31.55 122.67 -161.60 -118.25 132.89 16.98 83.00 0.02 16.11 0.67 0.03 0.01 0.01 0.00 75.13 8.03 42 R E E 139.69 6.22 20.81 28.35 115.16 -129.57 -86.32 131.46 33.09 66.89 0.02 32.95 0.70 0.03 0.01 0.01 0.00 61.15 5.15 43 L C C 27.99 21.13 11.71 31.94 118.65 -136.74 -86.02 144.86 89.92 10.07 0.01 88.34 2.11 0.04 0.00 0.01 0.00 9.12 0.39 44 P C C 60.44 6.81 19.01 26.70 115.18 -103.47 -66.43 151.94 93.49 6.45 0.06 88.30 4.82 0.27 0.01 0.05 0.00 6.15 0.41 45 T C C 76.91 10.57 14.36 25.43 113.43 -127.12 -86.96 134.33 65.46 34.40 0.14 51.65 12.36 0.54 0.02 0.15 0.00 34.27 1.01 46 K E E 100.74 7.83 15.91 24.93 122.45 -148.62 -110.69 140.78 13.49 86.43 0.08 11.29 1.87 0.17 0.02 0.06 0.00 86.22 0.37 47 V E E 72.89 9.44 15.06 25.68 120.03 -153.18 -111.34 131.39 2.20 97.79 0.02 2.05 0.12 0.01 0.00 0.01 0.00 97.72 0.08 48 L E E 55.74 12.03 13.81 26.94 119.87 -161.76 -108.71 134.61 0.95 99.04 0.00 0.87 0.04 0.00 0.00 0.00 0.00 99.06 0.02 49 K E E 115.60 6.14 17.40 24.97 119.74 -156.99 -110.63 132.19 0.70 99.30 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.34 0.01 50 I E E 54.16 13.08 13.48 27.50 121.57 -165.61 -115.52 133.48 1.45 98.54 0.01 1.34 0.06 0.01 0.00 0.00 0.00 98.55 0.04 51 S E E 45.10 7.64 16.27 25.45 124.58 -166.60 -113.79 149.31 6.16 93.78 0.06 5.48 0.44 0.08 0.02 0.03 0.00 93.82 0.13 52 T E E 58.63 10.95 13.89 25.77 122.42 -156.61 -115.40 138.33 11.70 88.16 0.14 9.97 1.57 0.26 0.04 0.08 0.00 87.49 0.59 53 R E E 123.05 6.92 14.18 22.51 118.50 -150.52 -98.61 136.45 22.03 77.75 0.21 18.53 3.52 0.53 0.07 0.15 0.00 75.72 1.47 54 K C C 125.28 5.14 13.59 20.34 116.45 -137.44 -92.33 136.36 52.99 46.80 0.22 44.77 7.03 0.60 0.08 0.19 0.00 43.52 3.81 55 T C C 48.39 8.74 9.66 20.10 117.73 -120.29 -87.27 144.91 91.04 8.76 0.20 83.47 6.70 0.75 0.06 0.16 0.00 7.34 1.52 56 P C T 105.69 2.49 11.90 15.71 93.00 -127.43 -65.44 -21.54 96.16 1.22 2.61 7.02 26.79 62.16 0.22 2.61 0.00 0.87 0.34 57 N C T 107.71 2.92 10.23 14.31 97.93 53.58 -89.66 -1.17 94.79 1.59 3.62 5.94 28.51 60.27 0.35 3.35 0.00 0.93 0.65 58 G C S 43.54 3.75 10.11 15.50 113.39 -102.98 87.00 6.27 87.55 3.66 8.80 21.86 46.10 19.31 1.04 7.84 0.00 1.78 2.06 59 E C T 149.49 1.63 10.09 12.88 106.66 31.17 -78.52 104.24 86.11 2.05 11.84 9.96 18.17 57.32 1.26 11.08 0.01 1.24 0.95 60 G C T 62.01 1.17 11.62 12.82 98.45 8.35 82.18 -0.46 86.32 2.12 11.57 12.87 19.70 53.31 1.28 10.67 0.00 1.27 0.88 61 S C C 59.46 4.91 8.88 15.73 118.06 117.96 -88.14 147.18 85.57 6.28 8.15 48.09 26.98 10.63 1.34 7.16 0.00 3.79 2.00 62 K C C 145.75 2.99 12.34 16.84 110.62 -126.24 -86.59 116.67 78.04 18.93 3.03 56.38 15.18 6.27 0.59 2.75 0.00 16.31 2.51 63 T C E 67.69 6.77 11.52 19.99 124.85 153.53 -111.11 147.50 51.09 48.16 0.75 43.02 6.23 1.27 0.21 0.62 0.00 45.47 3.18 64 W E E 118.49 9.34 11.66 22.28 120.34 -142.84 -105.00 140.20 27.50 72.36 0.15 24.11 2.56 0.40 0.04 0.11 0.00 71.11 1.66 65 D E E 75.68 6.87 14.91 23.14 118.11 -151.31 -104.75 135.67 17.57 82.38 0.05 14.75 2.08 0.20 0.01 0.04 0.00 82.58 0.35 66 T E E 70.62 8.51 14.24 24.00 122.59 -144.36 -113.70 136.99 8.43 91.56 0.01 7.70 0.40 0.03 0.00 0.01 0.00 91.68 0.18 67 Y E E 64.66 12.25 13.36 26.91 127.27 -170.33 -124.30 145.74 2.69 97.31 0.00 2.52 0.06 0.00 0.00 0.00 0.00 97.35 0.06 68 E E E 100.44 6.77 17.46 25.52 120.28 -144.75 -105.88 135.42 1.46 98.53 0.00 1.31 0.04 0.00 0.00 0.00 0.00 98.63 0.02 69 M E E 46.77 15.19 14.00 29.61 127.29 -169.46 -122.44 143.71 1.81 98.19 0.00 1.64 0.05 0.00 0.00 0.00 0.00 98.29 0.02 70 R E E 101.33 8.27 19.13 28.34 117.47 -137.91 -101.82 130.40 1.36 98.64 0.00 1.24 0.04 0.00 0.00 0.00 0.00 98.70 0.02 71 I E E 38.66 15.18 16.41 32.34 119.72 -162.20 -111.96 128.51 2.39 97.60 0.00 2.17 0.11 0.01 0.00 0.00 0.00 97.66 0.05 72 H E E 48.77 12.42 18.60 32.14 121.43 -163.72 -111.45 134.68 4.71 95.28 0.01 4.18 0.30 0.02 0.00 0.00 0.00 95.40 0.09 73 K E E 78.35 13.14 19.41 32.40 126.45 -168.92 -123.05 139.30 8.36 91.63 0.01 7.55 0.48 0.02 0.00 0.00 0.00 91.84 0.09 74 R E E 49.06 16.20 18.33 34.58 124.06 -159.97 -117.63 137.14 4.50 95.50 0.00 4.21 0.17 0.01 0.00 0.00 0.00 95.55 0.07 75 Y E E 68.02 11.80 22.11 34.50 120.82 -157.93 -114.61 131.11 0.89 99.11 0.00 0.81 0.03 0.00 0.00 0.00 0.00 99.14 0.02 76 I E E 10.87 22.00 17.98 40.33 120.74 -165.59 -115.87 127.91 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.01 77 D E E 54.14 9.08 25.37 34.90 115.57 -156.87 -103.82 124.68 0.76 99.23 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.28 0.01 78 L E E 11.99 22.85 14.56 37.46 119.44 -165.03 -108.77 130.22 11.92 87.85 0.24 11.19 0.57 0.15 0.10 0.11 0.00 87.45 0.44 79 E C E 97.24 6.67 21.81 28.81 108.67 -159.18 -97.48 99.06 56.47 43.16 0.37 30.22 25.51 1.81 0.09 0.27 0.00 41.24 0.87 80 A C S 38.93 10.56 17.36 28.78 123.54 29.68 -126.17 140.14 88.45 10.89 0.66 26.68 59.35 2.21 0.31 0.29 0.00 10.56 0.61 81 P C C 54.59 10.40 16.53 27.71 107.50 -99.22 -67.48 139.36 89.10 2.38 8.53 78.51 6.21 4.40 6.89 1.73 0.00 1.69 0.56 82 A H H 53.27 9.73 14.96 25.41 96.46 -135.34 -66.74 -34.53 47.96 0.70 51.34 30.26 9.16 8.34 48.67 2.96 0.00 0.30 0.31 83 H H H 118.23 3.22 19.44 22.55 93.73 57.75 -66.56 -35.86 21.26 0.45 78.29 10.38 4.17 7.42 74.75 2.83 0.06 0.22 0.18 84 I H H 28.80 15.49 16.04 31.83 93.04 51.99 -66.28 -41.23 8.62 0.44 90.94 4.62 1.37 3.16 87.65 2.78 0.02 0.32 0.09 85 V H H 25.07 18.09 15.29 33.12 92.24 52.18 -63.58 -41.90 3.03 0.22 96.74 1.44 0.45 1.27 94.68 1.91 0.01 0.21 0.02 86 K H H 114.42 3.96 20.19 24.55 91.95 51.86 -64.26 -39.63 2.55 0.18 97.27 0.88 0.34 1.41 94.38 2.76 0.01 0.20 0.02 87 R H H 112.82 6.15 19.61 26.41 92.28 51.34 -66.58 -38.91 3.51 0.21 96.28 0.91 0.41 2.21 92.39 3.81 0.02 0.22 0.03 88 I H H 18.22 21.49 14.50 35.36 92.79 50.75 -67.43 -36.10 5.35 0.34 94.31 1.11 0.61 3.56 89.68 4.64 0.04 0.31 0.05 89 T H H 55.03 13.13 16.62 29.66 92.85 58.18 -73.54 -20.26 24.62 0.72 74.66 2.56 2.14 19.43 70.64 4.37 0.16 0.49 0.21 90 Q C T 127.92 2.15 20.09 21.81 96.96 54.13 -90.16 -3.81 59.77 1.43 38.80 6.58 4.40 46.38 35.51 5.61 0.11 0.94 0.49 91 I C C 44.53 17.22 10.18 27.01 116.84 108.84 -83.01 136.13 90.83 8.07 1.09 65.29 24.50 1.67 0.80 0.38 0.00 5.87 1.48 92 T C C 97.78 2.75 20.95 24.07 113.61 -143.73 -100.01 122.27 80.66 18.95 0.39 79.14 1.49 0.46 0.21 0.14 0.00 15.74 2.82 93 I C C 38.48 20.78 10.45 29.98 120.46 -167.02 -111.10 130.13 62.15 37.75 0.11 61.30 1.95 0.07 0.09 0.03 0.00 15.15 21.41 94 E C C 101.72 5.11 19.08 24.76 118.12 -127.21 -77.55 148.75 99.32 0.67 0.01 98.94 0.55 0.04 0.00 0.00 0.00 0.37 0.10 95 P C T 92.00 5.52 15.85 22.90 110.99 -85.20 -60.77 139.04 99.19 0.45 0.36 0.73 3.33 95.30 0.03 0.24 0.00 0.30 0.07 96 G C T 44.12 4.76 18.16 23.95 96.67 23.51 87.33 -4.72 98.81 0.88 0.31 1.22 3.44 94.27 0.01 0.25 0.00 0.73 0.05 97 V C C 26.83 18.53 11.71 30.36 119.99 118.09 -98.13 135.18 58.30 41.62 0.08 52.43 4.68 0.27 0.01 0.08 0.00 41.67 0.85 98 D E E 82.62 5.29 22.34 28.36 118.96 -153.16 -107.57 131.40 13.68 86.29 0.03 13.21 0.37 0.05 0.01 0.02 0.00 86.06 0.29 99 V E E 27.11 21.92 12.66 33.95 125.80 -171.22 -125.33 136.85 6.90 93.10 0.01 6.79 0.10 0.00 0.00 0.00 0.00 93.04 0.06 100 E E E 99.47 4.94 23.98 29.37 121.04 -166.07 -115.55 132.40 3.52 96.48 0.00 3.52 0.06 0.00 0.00 0.00 0.00 96.39 0.03 101 V E E 28.75 21.44 12.76 33.69 122.43 -165.80 -117.99 132.04 3.67 96.33 0.00 3.82 0.03 0.00 0.00 0.00 0.00 96.10 0.04 102 I E E 79.98 5.44 22.11 28.11 121.40 -168.64 -117.33 132.30 3.40 96.60 0.00 3.46 0.05 0.00 0.00 0.00 0.00 96.41 0.07 103 I E E 63.63 14.96 12.06 27.10 117.51 -150.48 -101.81 128.88 10.07 89.91 0.02 9.84 0.24 0.02 0.01 0.01 0.00 89.48 0.40 104 A C C 56.59 6.20 13.06 20.96 119.80 -157.97 -99.99 146.11 50.66 49.24 0.09 49.59 0.51 0.13 0.02 0.05 0.00 49.05 0.65 105 A C C 79.99 3.62 14.21 19.28 112.50 -104.73 -76.31 139.28 99.69 0.31 0.00 99.67 0.08 0.02 0.00 0.00 0.00 0.23 0.01