# 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 67.50 4.77 15.98 21.69 116.00 -140.29 -85.16 140.27 99.85 0.14 0.00 99.83 0.07 0.01 0.00 0.00 0.00 0.09 0.01 1 I C C 84.18 10.50 11.65 22.94 118.51 -144.35 -101.77 131.78 72.75 27.15 0.10 72.02 0.61 0.16 0.02 0.04 0.00 26.46 0.68 2 H E E 79.19 9.71 14.52 25.54 120.74 -163.62 -108.42 136.16 26.28 73.64 0.08 22.55 2.76 0.21 0.02 0.06 0.00 73.93 0.48 3 R E E 113.00 9.27 17.32 27.61 122.47 -154.18 -115.41 135.29 7.66 92.32 0.03 6.96 0.52 0.04 0.01 0.02 0.00 92.28 0.18 4 I E E 22.01 19.55 15.08 34.92 123.22 -166.55 -120.27 132.52 2.61 97.39 0.01 2.55 0.08 0.01 0.00 0.00 0.00 97.30 0.06 5 R E E 108.45 7.77 22.87 31.31 117.58 -153.65 -105.70 126.60 1.87 98.13 0.00 1.78 0.05 0.00 0.00 0.00 0.00 98.14 0.02 6 I E E 10.09 23.44 15.97 39.80 121.72 -168.35 -117.34 130.08 1.17 98.83 0.00 1.22 0.02 0.00 0.00 0.00 0.00 98.75 0.02 7 T E E 48.72 8.93 25.82 35.43 118.57 -160.88 -111.00 127.13 0.81 99.19 0.00 0.80 0.01 0.00 0.00 0.00 0.00 99.16 0.02 8 L E E 5.53 25.25 17.04 42.86 123.65 -169.28 -116.00 135.78 1.44 98.56 0.00 1.46 0.02 0.00 0.00 0.00 0.00 98.48 0.04 9 T E E 49.93 9.48 26.16 36.07 126.38 -169.29 -121.61 140.36 4.65 95.34 0.01 4.42 0.17 0.01 0.00 0.00 0.00 95.23 0.16 10 S E E 10.40 20.67 14.77 35.48 138.18 162.54 -147.63 159.36 26.73 73.24 0.04 25.93 0.93 0.07 0.01 0.02 0.00 71.72 1.32 11 R C S 146.64 5.07 20.79 26.68 94.55 -139.06 -83.51 -15.05 99.30 0.67 0.03 2.89 95.99 0.63 0.00 0.01 0.00 0.42 0.05 12 N C C 71.00 7.21 19.38 27.54 112.53 64.72 -108.78 110.43 98.85 0.99 0.16 61.22 37.33 0.48 0.09 0.05 0.00 0.34 0.49 13 V H H 57.55 14.94 14.12 29.27 93.60 -164.94 -63.09 -36.55 3.08 0.01 96.91 0.62 0.51 1.72 96.12 1.03 0.00 0.00 0.00 14 K H H 137.77 1.72 21.87 22.56 91.63 54.92 -63.66 -40.86 2.08 0.01 97.92 0.19 0.18 1.57 96.69 1.36 0.00 0.00 0.00 15 S H H 28.63 9.20 18.94 29.65 91.87 48.89 -65.38 -40.36 1.36 0.01 98.63 0.23 0.10 0.90 97.00 1.77 0.00 0.00 0.00 16 L H H 5.65 24.50 14.49 39.14 91.57 52.11 -63.43 -42.68 0.35 0.00 99.65 0.07 0.03 0.17 99.53 0.21 0.00 0.00 0.00 17 E H H 88.56 9.93 22.22 32.07 91.45 51.61 -63.27 -41.35 0.12 0.00 99.88 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 18 K H H 121.13 2.30 25.83 27.03 91.58 49.99 -64.36 -41.81 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 19 V H H 13.53 18.59 21.27 39.81 91.59 48.74 -64.07 -43.33 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 20 C H H 6.25 23.20 20.07 42.97 91.47 50.27 -63.74 -42.44 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 21 A H H 47.08 5.50 24.83 30.58 91.19 51.20 -63.19 -41.95 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 22 D H H 57.97 7.07 24.85 32.38 91.64 50.06 -64.94 -41.44 0.07 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 23 L H H 4.83 24.48 19.95 44.20 91.75 49.88 -64.03 -43.48 0.10 0.00 99.90 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 24 I H H 36.20 16.11 21.81 37.44 91.61 49.60 -63.34 -42.91 0.17 0.00 99.83 0.01 0.01 0.12 99.85 0.02 0.00 0.00 0.00 25 R H H 131.87 2.13 25.76 26.25 91.75 49.47 -63.90 -41.66 0.40 0.00 99.60 0.03 0.02 0.27 99.63 0.05 0.00 0.00 0.00 26 G H H 11.02 10.66 19.32 31.86 91.88 50.49 -63.97 -41.69 1.04 0.00 98.96 0.07 0.05 0.76 98.98 0.14 0.00 0.00 0.00 27 A H H 6.03 20.60 13.42 34.46 91.51 51.19 -63.85 -41.56 1.43 0.00 98.57 0.19 0.10 0.95 98.31 0.44 0.00 0.00 0.00 28 K H H 129.92 3.80 17.91 22.93 91.58 50.57 -64.11 -40.52 2.01 0.01 97.98 0.17 0.11 1.54 97.29 0.88 0.00 0.00 0.00 29 E H H 140.29 1.50 17.05 18.10 90.95 52.67 -65.80 -30.41 7.84 0.01 92.15 0.23 0.29 7.31 91.49 0.66 0.01 0.00 0.00 30 K C T 90.27 8.69 12.70 22.83 95.42 46.40 -95.16 6.81 82.89 0.04 17.07 0.46 1.78 79.75 17.23 0.72 0.00 0.01 0.05 31 N C T 137.98 0.87 18.52 17.75 93.17 -117.06 59.72 38.71 99.84 0.01 0.15 1.81 1.19 96.92 0.05 0.03 0.00 0.00 0.00 32 L C C 27.82 19.78 8.55 27.24 118.94 155.92 -95.57 139.38 98.34 1.64 0.02 97.41 1.03 0.06 0.00 0.01 0.00 1.40 0.09 33 K E E 140.23 2.19 23.16 24.50 110.39 -127.12 -83.89 125.59 42.46 57.49 0.05 41.49 0.82 0.08 0.01 0.03 0.00 56.83 0.74 34 V E E 33.00 21.97 9.57 29.94 120.68 -165.73 -110.75 131.81 8.04 91.93 0.03 8.19 0.21 0.02 0.02 0.01 0.00 88.13 3.43 35 K E E 131.86 3.36 19.48 23.36 110.42 -170.18 -105.68 77.04 19.34 80.62 0.04 16.01 2.69 0.19 0.01 0.03 0.00 80.35 0.72 36 G E E 32.80 4.32 20.07 24.94 132.62 -32.29 119.64 -175.95 45.02 54.97 0.01 15.59 28.52 0.43 0.00 0.02 0.00 55.20 0.24 37 P C C 64.84 12.90 15.04 28.03 115.97 -52.14 -71.02 144.43 53.82 46.16 0.02 48.51 3.29 0.11 0.00 0.02 0.00 47.55 0.50 38 V E E 41.81 14.04 15.52 30.50 121.67 -158.12 -115.99 132.22 16.91 83.06 0.03 15.96 0.73 0.03 0.01 0.01 0.00 76.56 6.68 39 R E E 145.93 5.13 20.16 26.78 115.51 -130.62 -83.87 133.00 29.48 70.51 0.02 29.20 0.69 0.03 0.01 0.01 0.00 64.56 5.50 40 M C C 38.67 19.98 11.22 30.23 119.58 -141.61 -89.39 143.59 86.92 13.07 0.01 85.76 1.77 0.04 0.00 0.01 0.00 11.94 0.48 41 P C C 62.59 6.38 18.24 25.57 115.63 -103.31 -66.19 151.87 91.96 7.98 0.06 86.72 4.85 0.29 0.01 0.05 0.00 7.56 0.51 42 T C C 81.28 9.43 13.69 24.00 113.04 -124.11 -88.45 133.16 69.34 30.51 0.15 55.28 12.63 0.59 0.03 0.15 0.00 30.05 1.27 43 K E E 106.78 6.76 15.31 23.49 122.49 -145.29 -108.93 141.88 19.45 80.46 0.09 16.13 2.78 0.23 0.02 0.08 0.00 80.30 0.46 44 T E E 73.05 8.55 14.07 24.00 121.33 -152.09 -112.84 133.78 3.19 96.78 0.03 2.97 0.18 0.02 0.01 0.01 0.00 96.71 0.11 45 L E E 60.49 11.11 13.26 25.64 121.37 -164.51 -115.09 134.94 0.95 99.05 0.00 0.87 0.05 0.00 0.00 0.00 0.00 99.05 0.03 46 R E E 137.48 5.21 16.58 23.38 118.58 -155.71 -109.53 130.69 0.67 99.33 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.37 0.01 47 I E E 52.87 13.00 12.30 26.33 121.19 -166.65 -115.37 132.66 1.59 98.40 0.01 1.50 0.05 0.01 0.00 0.00 0.00 98.41 0.04 48 T E E 64.78 6.07 16.58 24.09 122.18 -163.71 -110.52 141.45 6.08 93.87 0.05 5.55 0.33 0.05 0.01 0.02 0.00 93.91 0.13 49 T E E 56.52 11.60 12.32 24.75 119.57 -158.00 -108.48 137.43 12.16 87.72 0.12 10.56 1.42 0.22 0.04 0.07 0.00 87.04 0.65 50 R E E 131.21 5.51 14.05 21.13 117.81 -147.04 -96.69 138.30 22.92 76.92 0.16 19.53 3.24 0.41 0.05 0.12 0.00 75.03 1.61 51 K C C 131.79 4.46 12.97 19.18 116.36 -130.82 -91.08 137.08 57.84 41.99 0.17 49.19 7.36 0.50 0.06 0.15 0.00 39.10 3.64 52 T C C 52.12 8.87 8.99 19.37 116.16 -113.86 -80.68 144.81 93.77 6.03 0.21 86.42 6.45 0.87 0.06 0.17 0.00 4.82 1.23 53 P C T 109.99 1.93 12.01 14.86 93.49 -124.41 -66.90 -19.18 96.76 0.89 2.35 9.45 26.12 60.96 0.22 2.36 0.00 0.59 0.29 54 C C T 89.32 3.29 9.50 14.09 100.79 58.62 -92.26 1.01 95.34 1.47 3.18 6.74 28.46 60.02 0.34 2.99 0.00 0.86 0.61 55 G C S 41.67 3.35 10.42 15.33 120.36 -84.02 117.63 3.32 89.68 4.54 5.77 26.43 50.10 12.71 0.84 4.99 0.00 2.11 2.81 56 E C T 158.03 1.23 10.10 12.16 108.34 -50.47 -70.79 128.09 90.85 1.76 7.39 5.59 15.04 69.49 0.65 7.34 0.00 1.15 0.73 57 G C T 64.14 0.89 11.63 12.22 97.87 12.48 81.85 -0.33 91.61 1.27 7.12 8.26 15.24 67.34 0.69 7.15 0.00 0.84 0.49 58 S C C 57.04 5.51 8.38 15.87 117.34 126.42 -87.01 145.42 90.02 5.62 4.36 61.57 22.19 6.06 0.80 4.06 0.00 3.55 1.77 59 K C C 143.21 3.23 12.06 16.95 112.72 -129.12 -91.63 124.87 76.80 21.56 1.63 61.83 10.91 3.32 0.38 1.42 0.00 19.61 2.53 60 T E E 70.18 6.96 11.70 20.32 125.74 167.12 -117.32 147.16 42.64 56.94 0.43 37.04 4.14 0.80 0.13 0.35 0.00 54.43 3.11 61 W E E 112.08 9.63 11.11 22.03 118.36 -135.87 -98.99 137.46 24.06 75.84 0.11 21.79 1.62 0.27 0.03 0.08 0.00 74.87 1.35 62 D E E 84.78 5.38 14.94 21.62 106.24 -163.29 -93.83 -12.14 22.46 77.49 0.06 15.88 5.74 0.37 0.01 0.05 0.00 77.74 0.22 63 R E E 128.10 6.26 14.80 22.54 123.66 -15.67 -125.02 137.23 9.30 90.68 0.02 8.24 0.64 0.05 0.00 0.01 0.00 90.91 0.15 64 F E E 61.74 12.71 12.30 26.04 126.80 -168.57 -123.79 144.33 2.73 97.26 0.00 2.60 0.06 0.00 0.00 0.00 0.00 97.26 0.08 65 Q E E 98.43 6.26 16.72 24.51 121.77 -153.28 -113.37 135.78 1.39 98.61 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.68 0.03 66 M E E 55.80 13.91 13.52 28.01 128.38 -169.98 -128.48 145.13 2.02 97.98 0.00 1.84 0.05 0.00 0.00 0.00 0.00 98.08 0.02 67 R E E 115.30 7.21 18.31 26.66 117.79 -132.91 -102.36 129.92 1.91 98.09 0.00 1.80 0.05 0.00 0.00 0.00 0.00 98.10 0.05 68 I E E 41.88 15.07 15.83 31.57 117.63 -162.48 -111.78 124.05 5.91 94.08 0.00 5.61 0.16 0.01 0.00 0.00 0.00 94.09 0.13 69 P E E 36.21 11.85 18.08 31.17 116.31 -143.24 -81.89 141.39 12.13 87.86 0.01 11.21 0.49 0.03 0.00 0.01 0.00 88.06 0.19 70 K E E 82.62 12.79 18.81 31.61 127.95 -164.67 -123.84 142.57 10.52 89.46 0.02 9.69 0.62 0.04 0.00 0.01 0.00 89.40 0.23 71 R E E 57.69 15.71 18.14 33.83 123.92 -156.76 -116.72 135.45 4.60 95.40 0.00 4.39 0.17 0.01 0.00 0.00 0.00 95.31 0.11 72 L E E 49.12 11.62 21.95 34.27 118.94 -157.61 -110.41 129.57 1.01 98.99 0.00 0.92 0.04 0.00 0.00 0.00 0.00 99.01 0.03 73 I E E 11.14 22.35 17.53 40.11 119.98 -165.17 -115.31 127.77 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.01 74 D E E 55.42 8.67 25.32 34.46 115.41 -159.10 -105.82 122.98 0.62 99.38 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.01 75 L E E 13.10 22.48 14.05 36.62 117.26 -163.50 -103.25 128.08 7.96 91.98 0.07 7.52 0.34 0.06 0.02 0.03 0.00 91.70 0.33 76 H E E 99.99 6.50 20.65 27.56 106.23 -166.16 -92.13 5.54 49.37 50.49 0.14 27.11 22.18 1.31 0.02 0.12 0.00 48.44 0.81 77 S C S 54.61 6.40 19.06 26.21 124.39 10.05 -140.55 135.84 89.96 9.91 0.13 20.49 67.56 1.52 0.02 0.08 0.00 9.91 0.43 78 P C C 56.32 13.69 13.90 27.59 108.90 -110.74 -70.45 130.39 94.69 2.05 3.26 83.88 7.59 3.53 2.08 0.97 0.00 1.43 0.52 79 S C C 46.55 8.97 15.02 25.02 117.68 -158.27 -92.07 -44.95 72.95 0.63 26.42 55.88 9.17 5.91 26.62 1.82 0.00 0.25 0.35 80 E H H 131.35 2.57 18.67 21.30 93.22 -95.60 -64.02 -33.43 19.97 0.23 79.80 8.32 4.94 7.23 77.43 1.86 0.02 0.09 0.11 81 I H H 38.09 14.36 16.12 30.83 92.94 53.17 -65.59 -41.38 8.06 0.22 91.73 3.48 1.29 3.44 89.92 1.66 0.02 0.13 0.06 82 V H H 19.80 19.24 14.50 33.41 92.01 51.11 -64.41 -41.86 2.68 0.13 97.19 1.12 0.40 1.22 95.65 1.48 0.01 0.11 0.02 83 K H H 114.42 4.02 19.95 24.49 91.65 52.32 -63.98 -40.31 1.84 0.08 98.08 0.60 0.24 0.98 96.38 1.70 0.01 0.08 0.01 84 Q H H 88.60 5.46 19.75 25.85 92.11 51.14 -65.70 -39.87 2.68 0.11 97.21 0.66 0.30 1.68 94.73 2.50 0.01 0.11 0.01 85 I H H 16.94 21.43 14.77 35.64 93.04 50.43 -66.67 -38.18 4.31 0.18 95.51 0.81 0.48 2.91 92.30 3.29 0.02 0.16 0.03 86 T H H 52.87 14.09 16.32 30.16 92.41 57.32 -70.43 -22.87 19.85 0.37 79.77 1.88 1.64 15.85 77.20 2.98 0.10 0.24 0.12 87 S C T 83.04 1.93 20.09 21.45 95.19 56.70 -88.13 -6.43 57.30 0.80 41.90 5.93 4.21 44.83 40.18 3.98 0.07 0.44 0.35 88 I C C 47.65 16.38 10.28 26.44 117.40 105.88 -80.29 138.83 91.69 5.66 2.65 57.84 31.16 3.17 2.19 0.70 0.01 3.32 1.62 89 S C C 82.32 2.64 20.68 23.65 113.14 -138.75 -97.10 124.33 85.31 14.05 0.65 82.32 2.19 1.03 0.33 0.24 0.00 11.56 2.33 90 I C C 41.64 20.70 10.43 29.64 123.25 -169.50 -114.57 134.67 65.55 34.30 0.15 62.96 2.55 0.10 0.12 0.05 0.00 12.59 21.64 91 E C C 103.33 4.97 19.22 24.74 117.76 -121.47 -76.73 148.81 99.24 0.75 0.02 98.78 0.64 0.05 0.00 0.00 0.00 0.40 0.12 92 P C T 91.81 5.63 15.78 22.90 110.97 -84.46 -60.71 138.78 99.25 0.45 0.30 0.79 3.40 95.22 0.02 0.19 0.00 0.29 0.08 93 G C T 43.39 4.92 18.11 24.15 96.31 23.26 87.65 -5.00 98.96 0.81 0.23 1.21 3.42 94.45 0.01 0.18 0.00 0.68 0.04 94 V C C 27.43 18.16 11.93 30.31 119.33 117.33 -98.55 135.33 57.66 42.28 0.06 51.86 4.51 0.19 0.01 0.05 0.00 42.53 0.84 95 E E E 106.58 5.21 22.32 28.35 118.27 -150.12 -105.62 130.87 11.85 88.13 0.02 11.71 0.25 0.03 0.01 0.01 0.00 87.73 0.26 96 V E E 26.06 22.11 12.68 34.17 126.29 -170.67 -124.82 137.42 5.39 94.60 0.00 5.42 0.09 0.00 0.00 0.00 0.00 94.42 0.06 97 E E E 99.90 4.90 24.29 29.61 121.14 -162.24 -115.40 131.91 3.04 96.96 0.00 3.06 0.06 0.00 0.00 0.00 0.00 96.84 0.03 98 V E E 26.74 22.34 12.76 34.42 123.84 -168.04 -119.84 133.86 3.05 96.95 0.00 3.21 0.04 0.00 0.00 0.00 0.00 96.71 0.03 99 T E E 62.12 5.77 23.33 29.51 123.56 -169.19 -119.38 136.75 2.79 97.20 0.00 2.88 0.05 0.00 0.00 0.00 0.00 96.99 0.06 100 I E E 56.41 16.26 13.41 29.59 119.08 -151.68 -104.95 130.10 6.64 93.34 0.02 6.46 0.20 0.02 0.01 0.01 0.00 92.97 0.33 101 A E E 48.05 8.00 14.24 23.82 123.09 -164.60 -110.19 146.62 32.85 66.97 0.18 27.66 3.84 0.56 0.05 0.13 0.00 67.14 0.63 102 D C C 108.66 3.41 13.54 18.56 112.39 -116.77 -84.71 132.36 62.34 37.40 0.26 58.04 1.92 0.73 0.06 0.18 0.00 38.03 1.05 103 A C C 67.14 7.65 12.11 20.88 109.28 -123.85 -78.94 128.97 99.77 0.22 0.01 99.71 0.09 0.03 0.00 0.00 0.00 0.16 0.01