# 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 M C C 117.42 5.40 13.34 20.06 118.39 -166.98 -102.34 135.40 99.83 0.15 0.02 99.71 0.16 0.02 0.01 0.00 0.00 0.06 0.03 1 A C C 59.41 6.40 10.08 18.17 117.04 -115.19 -79.66 143.84 95.23 0.53 4.24 94.10 0.69 1.25 2.86 0.60 0.00 0.22 0.28 2 P C C 81.42 5.08 11.17 17.98 110.12 -103.59 -65.41 151.08 77.29 1.47 21.24 59.49 6.47 11.69 11.31 9.44 0.00 0.82 0.78 3 A C C 73.55 4.67 10.59 16.82 105.95 -105.86 -73.37 135.29 68.80 3.49 27.71 44.94 10.93 12.79 14.48 13.29 0.01 1.87 1.69 4 A C C 72.21 4.53 10.76 16.81 105.16 -98.35 -78.82 101.06 64.07 4.06 31.86 39.92 12.89 11.28 17.07 14.88 0.02 2.20 1.75 5 Q C C 120.92 3.80 10.95 16.30 106.48 59.92 -84.62 73.53 68.51 3.31 28.18 41.95 13.93 12.74 18.38 9.70 0.02 1.68 1.58 6 S C C 71.59 4.34 11.10 16.89 105.71 84.76 -85.53 27.08 71.99 1.87 26.14 33.31 18.55 20.77 18.55 6.96 0.02 0.82 1.01 7 G C C 43.73 4.38 11.77 17.52 106.52 37.87 -14.94 -33.99 71.62 1.10 27.27 29.20 22.31 20.82 19.38 7.15 0.02 0.45 0.68 8 A C C 64.17 4.79 11.15 17.36 102.62 57.37 -75.30 -6.52 59.66 1.36 38.98 33.94 14.37 12.14 29.12 9.11 0.02 0.60 0.70 9 K C H 128.27 3.59 11.93 16.77 100.82 53.72 -76.59 -23.18 49.26 1.74 49.00 30.29 10.04 10.15 37.62 10.25 0.02 0.88 0.74 10 K H H 124.68 3.90 11.96 17.14 100.31 55.04 -75.77 -19.21 44.99 1.69 53.33 28.02 8.64 9.53 41.56 10.66 0.02 0.91 0.65 11 Q H H 107.60 4.70 11.67 17.75 101.49 57.95 -78.41 -11.65 45.48 1.48 53.03 28.57 8.65 9.35 42.57 9.49 0.02 0.78 0.58 12 K H H 125.58 4.67 11.52 17.58 103.56 64.84 -80.09 10.38 49.25 1.44 49.32 31.31 8.94 9.92 40.30 8.18 0.02 0.73 0.61 13 K C H 126.92 4.41 11.38 17.28 105.42 75.23 -79.59 58.02 55.66 1.54 42.80 34.46 10.06 11.75 34.52 7.75 0.01 0.78 0.67 14 K C C 135.28 3.57 12.18 17.09 104.32 75.97 -84.54 13.89 61.06 2.38 36.55 36.71 11.53 13.17 28.51 7.79 0.02 1.22 1.05 15 W C C 140.09 7.41 10.14 18.65 107.59 81.24 -90.62 88.17 67.06 3.68 29.26 39.69 13.98 13.47 22.46 6.85 0.03 1.84 1.67 16 S C C 64.23 6.19 10.47 18.09 113.08 84.73 -92.77 127.84 77.22 3.27 19.51 52.29 11.50 12.65 15.34 4.98 0.01 1.76 1.47 17 K C C 152.93 2.40 11.48 15.40 107.10 -139.87 -89.14 76.19 75.30 2.24 22.46 29.44 19.05 27.24 16.69 5.43 0.03 1.06 1.07 18 G C C 47.54 4.07 11.51 17.06 112.02 33.34 72.13 -169.06 76.11 1.99 21.90 26.40 24.25 26.00 15.64 5.80 0.03 0.96 0.92 19 K C C 141.57 3.14 12.97 17.36 109.84 -45.71 -85.69 119.72 67.15 5.68 27.17 43.46 15.08 8.41 22.88 5.04 0.03 3.26 1.83 20 V C C 73.05 9.42 10.44 20.77 111.02 -144.17 -87.20 124.93 52.42 8.18 39.40 38.37 8.43 6.19 34.55 5.00 0.04 5.35 2.07 21 K H H 114.14 6.41 13.87 21.44 110.40 -161.34 -87.92 126.74 47.50 4.64 47.86 32.68 8.33 7.49 41.61 5.67 0.03 3.12 1.06 22 D H H 77.62 6.71 14.98 22.68 108.05 -112.72 -81.71 105.47 46.43 3.18 50.40 31.85 7.29 8.12 42.60 7.21 0.02 2.09 0.80 23 K H H 98.88 10.07 15.30 25.71 96.16 59.61 -70.07 -27.00 34.12 2.37 63.51 20.06 5.97 9.20 48.60 13.87 0.04 1.55 0.71 24 A H H 41.56 12.14 13.90 26.52 93.95 66.57 -68.02 -28.21 29.98 1.96 68.05 13.59 5.05 10.80 45.40 23.24 0.06 1.31 0.55 25 Q H H 108.22 6.16 17.92 24.97 94.52 63.60 -74.25 -16.64 38.75 2.00 59.25 9.67 6.64 21.04 37.86 22.55 0.23 1.29 0.73 26 H C T 89.20 10.80 16.72 27.86 99.82 49.78 -98.57 7.84 53.88 2.71 43.41 13.05 10.07 30.36 25.44 18.00 0.28 1.60 1.20 27 S C C 37.97 14.16 15.83 30.19 118.69 109.05 -88.04 143.83 73.83 17.70 8.47 44.81 22.73 6.87 5.66 3.28 0.06 11.32 5.26 28 V C C 46.66 15.59 17.05 32.48 114.55 -139.00 -98.04 125.92 57.89 36.24 5.87 44.86 8.39 3.53 4.33 2.21 0.05 30.26 6.37 29 I C C 85.72 9.60 20.80 30.67 115.43 -159.31 -100.02 122.09 60.15 36.74 3.12 49.11 7.50 1.82 2.55 1.11 0.01 30.50 7.40 30 L C C 29.84 20.69 11.35 30.86 118.83 -145.68 -97.11 137.71 80.72 18.33 0.95 70.31 9.76 0.65 0.83 0.29 0.00 14.55 3.61 31 D C C 85.50 3.46 19.14 22.53 117.71 -113.65 -76.50 152.26 97.61 1.96 0.43 96.19 1.46 0.18 0.38 0.05 0.00 1.44 0.32 32 K H H 139.07 4.44 13.42 19.90 92.33 -109.45 -59.22 -38.12 2.28 0.01 97.71 0.36 0.34 1.34 97.64 0.32 0.00 0.00 0.00 33 A H H 72.20 1.40 17.84 17.76 92.15 52.03 -64.61 -40.37 1.77 0.01 98.22 0.26 0.17 1.19 97.94 0.43 0.00 0.00 0.00 34 T H H 33.96 10.93 15.73 27.98 92.36 47.56 -67.12 -40.42 0.91 0.01 99.08 0.21 0.09 0.50 98.79 0.39 0.00 0.00 0.00 35 S H H 12.77 18.56 13.74 32.45 91.35 52.57 -62.47 -42.52 0.42 0.00 99.58 0.10 0.04 0.19 99.56 0.11 0.00 0.00 0.00 36 D H H 77.87 3.48 21.34 24.67 91.36 51.00 -63.79 -40.64 0.46 0.00 99.54 0.08 0.03 0.25 99.58 0.07 0.00 0.00 0.00 37 K H H 102.02 3.49 21.79 24.96 91.54 50.35 -64.44 -41.17 0.49 0.00 99.50 0.05 0.02 0.34 99.50 0.09 0.00 0.00 0.00 38 L H H 8.40 21.44 15.95 37.61 91.98 50.26 -63.79 -42.78 0.50 0.00 99.50 0.05 0.03 0.34 99.41 0.16 0.00 0.00 0.00 39 Y H H 72.30 15.74 17.99 33.10 91.73 51.74 -63.42 -40.15 0.84 0.00 99.16 0.07 0.04 0.64 98.50 0.74 0.00 0.00 0.00 40 K H H 137.24 1.66 21.95 22.23 92.13 50.79 -66.11 -38.64 3.97 0.00 96.02 0.12 0.13 3.81 94.47 1.47 0.00 0.00 0.00 41 D H H 66.82 8.09 19.12 27.77 93.07 46.61 -73.74 -30.67 10.66 0.01 89.33 0.23 0.45 10.28 87.67 1.35 0.02 0.00 0.01 42 V H H 7.98 22.64 11.63 34.15 99.73 42.60 -100.27 3.84 48.18 0.40 51.42 11.47 8.09 29.62 45.03 5.24 0.05 0.14 0.36 43 Q C T 103.53 8.43 16.04 25.89 91.91 105.75 -63.11 -26.97 86.73 0.30 12.96 6.28 3.12 78.17 6.29 5.74 0.00 0.15 0.24 44 S C T 84.26 2.05 19.38 21.05 95.05 51.22 -91.48 -4.03 90.14 0.17 9.70 2.70 4.97 83.07 2.22 6.84 0.00 0.09 0.11 45 Y C C 57.22 17.44 11.49 28.46 117.92 101.46 -83.21 138.79 95.46 1.62 2.92 77.72 15.05 2.79 0.67 2.25 0.00 0.85 0.69 46 R C S 137.18 6.65 21.13 28.71 97.32 -158.64 -83.23 -25.44 94.55 4.92 0.53 25.86 67.00 2.27 0.10 0.41 0.00 3.74 0.62 47 L E E 48.72 14.76 20.95 35.39 124.52 33.04 -124.58 133.18 22.30 76.78 0.92 14.09 8.41 1.69 0.35 0.62 0.01 72.05 2.78 48 V E E 8.90 23.09 19.74 42.61 124.50 -170.81 -124.09 133.55 11.30 88.49 0.21 9.99 1.06 0.10 0.18 0.09 0.00 82.42 6.16 49 T E E 29.35 12.11 26.79 39.43 124.98 -133.48 -97.97 159.17 42.59 57.30 0.10 43.49 0.70 0.04 0.07 0.03 0.00 54.44 1.24 50 V H H 12.52 23.46 18.88 42.38 91.59 -111.65 -59.42 -37.70 2.24 0.02 97.74 0.17 0.22 1.84 96.91 0.85 0.01 0.01 0.01 51 A H H 44.33 9.12 23.58 33.13 91.55 55.43 -62.89 -40.82 1.20 0.01 98.79 0.07 0.07 1.03 98.03 0.80 0.00 0.00 0.00 52 T H H 35.77 9.23 23.39 33.51 91.95 48.94 -65.26 -41.77 0.88 0.01 99.10 0.08 0.06 0.70 98.06 1.08 0.00 0.01 0.00 53 L H H 3.48 24.29 17.50 42.09 91.97 49.84 -64.22 -43.22 0.90 0.03 99.07 0.13 0.10 0.63 98.70 0.40 0.01 0.01 0.00 54 V H H 18.96 16.53 16.76 33.78 91.95 50.31 -63.68 -43.12 1.52 0.06 98.42 0.22 0.22 1.02 98.13 0.35 0.01 0.02 0.02 55 D H H 101.84 2.09 20.83 22.44 92.13 48.22 -65.28 -40.97 2.13 0.02 97.84 0.19 0.16 1.67 97.30 0.65 0.01 0.01 0.01 56 R H H 114.56 7.93 18.04 26.66 92.99 45.97 -69.20 -37.79 4.98 0.02 95.00 0.16 0.33 4.43 94.42 0.62 0.02 0.00 0.01 57 L H H 32.55 16.77 13.95 30.93 96.29 36.03 -97.15 -2.89 20.95 0.08 78.97 1.00 2.69 17.04 78.31 0.83 0.04 0.02 0.06 58 K C T 161.56 1.70 20.46 21.96 93.41 -126.40 57.18 41.52 99.69 0.05 0.27 17.84 4.61 77.32 0.13 0.06 0.00 0.03 0.01 59 I C C 30.06 18.43 11.31 29.40 128.94 139.00 -119.56 151.84 98.40 1.50 0.10 85.21 12.83 0.22 0.06 0.03 0.00 0.45 1.21 60 N C C 97.69 3.15 22.77 25.35 115.06 -103.02 -74.81 149.12 99.41 0.47 0.13 99.04 0.44 0.07 0.08 0.01 0.00 0.12 0.25 61 G H H 26.52 16.21 15.42 30.61 94.02 -111.09 -58.65 -40.24 6.28 0.02 93.71 0.72 1.11 4.12 92.47 1.55 0.01 0.00 0.01 62 A H H 59.56 4.24 24.07 28.00 91.78 54.42 -64.64 -40.46 2.90 0.01 97.08 0.29 0.26 2.16 95.42 1.87 0.00 0.00 0.00 63 L H H 34.37 13.25 22.06 35.61 92.02 50.02 -64.96 -41.31 0.55 0.00 99.45 0.09 0.04 0.32 98.27 1.28 0.00 0.00 0.00 64 A H H 1.62 26.31 17.00 43.99 91.00 51.69 -62.91 -43.20 0.21 0.00 99.79 0.04 0.01 0.11 99.65 0.20 0.00 0.00 0.00 65 R H H 94.42 12.03 24.97 36.45 91.42 51.40 -62.90 -41.80 0.15 0.00 99.85 0.01 0.00 0.10 99.82 0.07 0.00 0.00 0.00 66 K H H 95.98 4.53 28.00 32.82 91.41 50.15 -64.09 -42.45 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 67 C H H 4.23 21.92 22.17 44.12 91.55 49.52 -63.87 -43.61 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 68 L H H 3.19 25.80 20.80 46.60 91.21 49.88 -63.83 -42.17 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 69 K H H 99.23 5.66 25.92 31.88 91.41 51.17 -63.03 -42.66 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 70 D H H 46.59 7.11 23.26 31.23 91.71 49.72 -64.25 -41.61 0.16 0.00 99.84 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 71 L H H 4.91 22.80 15.63 38.95 91.74 49.99 -64.15 -42.53 0.19 0.00 99.80 0.02 0.01 0.11 99.77 0.08 0.00 0.00 0.00 72 E H H 68.91 13.61 16.68 30.14 91.73 50.22 -63.18 -41.70 0.28 0.00 99.71 0.02 0.01 0.20 99.56 0.20 0.00 0.00 0.00 73 E H H 150.41 1.06 19.30 18.99 90.71 51.23 -64.56 -32.25 2.88 0.00 97.12 0.05 0.06 2.99 96.62 0.29 0.00 0.00 0.00 74 K C T 112.37 5.54 15.73 22.54 92.16 50.95 -85.53 -4.79 86.51 0.00 13.49 0.06 0.35 86.26 13.12 0.19 0.00 0.00 0.00 75 G C T 42.83 5.06 18.82 24.97 94.72 -113.76 81.19 14.31 99.89 0.00 0.11 0.09 0.52 99.34 0.04 0.01 0.00 0.00 0.00 76 L C S 24.79 17.02 16.60 34.37 95.43 120.92 -80.35 -25.25 99.59 0.40 0.01 9.52 89.68 0.50 0.00 0.00 0.00 0.26 0.04 77 I E E 3.88 25.55 13.60 40.10 133.11 29.61 -135.09 148.60 18.53 81.46 0.01 9.88 9.79 0.16 0.00 0.01 0.00 79.53 0.63 78 R E E 115.32 5.74 25.48 31.87 124.79 -157.02 -122.50 138.33 1.53 98.47 0.00 1.40 0.07 0.00 0.00 0.00 0.00 98.50 0.03 79 Q E E 78.41 15.28 16.84 31.62 110.65 -114.44 -72.75 126.76 0.69 99.31 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.31 0.01 80 V E E 50.75 11.81 17.51 30.25 101.77 176.43 -96.84 -32.05 1.86 98.13 0.00 1.34 0.23 0.02 0.00 0.00 0.00 98.40 0.01 81 V E E 57.53 8.14 18.91 28.19 135.87 -0.58 -148.42 146.56 1.19 98.80 0.01 0.87 0.16 0.02 0.00 0.00 0.00 98.93 0.02 82 G E E 36.67 12.07 12.43 24.98 129.77 -173.96 -140.23 150.05 8.14 91.83 0.03 6.76 0.74 0.11 0.00 0.02 0.00 92.27 0.10 83 H C E 98.11 6.26 13.14 20.99 124.85 -176.38 -133.21 136.03 51.15 48.64 0.20 44.85 4.36 0.59 0.03 0.18 0.00 49.32 0.67 84 S C T 95.78 1.16 14.10 14.98 102.29 -45.14 47.56 -96.10 97.06 0.97 1.97 2.76 41.09 53.05 0.05 2.20 0.00 0.69 0.16 85 K C T 159.54 2.57 13.93 17.10 97.67 -10.90 -92.81 -0.50 97.17 0.73 2.11 3.27 39.16 54.29 0.05 2.57 0.00 0.54 0.12 86 M E E 60.34 12.29 13.03 26.32 122.74 87.54 -109.99 139.30 35.46 64.02 0.52 25.40 8.18 2.36 0.05 0.50 0.00 63.03 0.49 87 K E E 63.57 12.46 18.93 32.08 121.13 -154.31 -111.58 133.44 5.34 94.65 0.01 5.11 0.16 0.01 0.00 0.00 0.00 94.64 0.07 88 I E E 16.39 18.07 20.70 39.34 121.72 -164.06 -115.71 131.55 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 89 Y E E 18.11 20.12 22.07 42.08 124.30 -165.40 -112.89 139.54 0.34 99.66 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 90 T E E 19.19 16.90 23.21 39.94 133.59 -174.14 -132.99 153.47 3.17 96.82 0.01 2.98 0.12 0.01 0.00 0.00 0.00 96.78 0.10 91 R E E 73.98 14.55 21.96 35.95 115.95 -108.33 -80.40 141.41 26.33 73.43 0.25 23.38 2.50 0.33 0.09 0.14 0.00 72.70 0.84 92 A C C 28.54 16.86 16.21 32.92 112.15 -110.52 -71.64 138.85 82.41 13.23 4.36 67.75 9.79 4.47 1.27 2.97 0.00 12.48 1.27 93 V C C 81.41 8.44 17.45 26.49 108.13 -156.44 -95.11 29.54 83.68 5.40 10.92 42.03 21.42 21.07 3.06 7.42 0.01 3.35 1.63 94 G C C 44.74 5.58 15.94 22.33 107.90 21.33 -47.58 -3.68 83.27 3.34 13.39 37.00 21.72 25.36 3.11 9.62 0.01 1.78 1.39 95 A C C 58.70 8.29 11.69 20.97 106.58 90.41 -85.22 73.67 78.32 3.62 18.06 44.71 18.22 15.49 4.44 13.60 0.00 1.92 1.61 96 A C C 70.10 5.72 10.66 17.80 105.79 87.85 -82.09 52.36 79.63 3.75 16.62 41.19 21.59 17.34 4.14 12.15 0.01 2.04 1.53 97 A C C 81.83 2.92 10.23 14.78 107.13 73.80 -85.94 103.78 85.72 2.41 11.87 71.66 3.73 11.30 3.36 7.47 0.00 1.49 0.98 98 E C C 133.98 3.54 11.84 17.08 108.13 -117.70 -83.84 112.58 99.83 0.08 0.09 99.65 0.14 0.12 0.03 0.01 0.00 0.04 0.01