# 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 G C C 38.14 6.22 13.19 20.68 121.27 -136.90 98.48 -174.96 99.95 0.04 0.01 99.26 0.62 0.08 0.01 0.00 0.00 0.01 0.01 1 D C C 89.66 3.70 11.25 16.40 113.38 -66.72 -86.06 133.46 94.92 0.07 5.01 93.27 0.70 0.83 4.95 0.19 0.00 0.02 0.04 2 P H H 90.05 3.70 9.55 14.87 97.70 -122.99 -66.10 -27.10 37.25 0.14 62.61 17.68 4.02 15.36 58.28 4.50 0.00 0.07 0.09 3 K H H 134.51 2.33 10.70 14.10 97.34 58.84 -72.38 -30.98 22.11 0.18 77.71 9.36 3.29 9.85 71.90 5.41 0.01 0.08 0.09 4 E H H 108.89 3.04 10.90 15.20 96.08 58.10 -69.50 -36.47 10.92 0.14 88.94 6.48 1.92 3.20 82.79 5.50 0.00 0.08 0.04 5 E H H 105.76 3.14 11.57 15.99 95.18 55.16 -68.13 -37.62 8.42 0.12 91.46 5.02 1.37 2.66 86.88 3.95 0.00 0.07 0.04 6 E H H 107.40 2.76 11.97 15.80 94.73 52.74 -68.08 -37.27 8.21 0.11 91.68 4.33 1.35 3.05 87.83 3.34 0.00 0.07 0.04 7 E H H 103.46 2.95 12.03 16.11 94.41 52.99 -67.60 -37.73 9.86 0.11 90.04 4.58 1.67 4.03 86.37 3.24 0.00 0.05 0.04 8 E H H 108.33 3.22 11.98 16.43 94.47 53.17 -68.34 -35.92 14.07 0.13 85.80 6.38 2.21 5.95 81.17 4.16 0.01 0.06 0.06 9 E H H 115.19 3.31 12.15 16.67 95.02 53.83 -70.57 -32.32 19.54 0.18 80.29 8.73 3.00 8.37 73.89 5.83 0.01 0.09 0.09 10 E H H 119.88 3.32 11.84 16.49 96.39 58.38 -72.65 -26.15 27.95 0.29 71.76 12.52 4.79 11.45 63.34 7.58 0.02 0.14 0.16 11 E H H 124.59 3.40 11.95 16.62 98.83 65.86 -79.39 -12.52 46.11 0.52 53.37 21.02 8.04 18.15 44.93 7.29 0.02 0.23 0.32 12 L C C 101.05 5.70 11.52 18.50 106.97 69.67 -82.87 83.27 68.02 0.82 31.16 39.92 9.22 19.23 24.90 5.83 0.01 0.34 0.56 13 V C C 76.54 7.31 12.16 21.01 117.38 101.45 -96.17 133.32 85.78 1.20 13.01 55.80 23.72 5.29 12.43 1.37 0.00 0.31 1.08 14 D C C 72.49 6.65 15.21 23.23 107.95 -116.43 -82.88 115.69 96.77 0.16 3.07 90.63 4.78 0.94 3.32 0.19 0.00 0.05 0.10 15 P H H 53.96 11.09 15.05 27.47 93.60 -156.57 -64.16 -32.49 27.32 0.10 72.58 14.75 2.66 8.10 73.30 1.09 0.00 0.03 0.05 16 L H H 56.28 13.41 15.95 29.42 92.84 56.41 -65.67 -40.32 7.47 0.03 92.49 2.78 0.97 3.40 91.98 0.83 0.00 0.01 0.02 17 T H H 67.33 4.02 19.61 23.75 92.38 49.85 -65.44 -41.23 2.40 0.02 97.58 1.15 0.32 0.91 96.99 0.61 0.00 0.01 0.01 18 T H H 51.74 5.61 19.18 25.79 92.07 50.04 -65.00 -42.40 1.20 0.01 98.79 0.53 0.15 0.51 98.49 0.32 0.00 0.00 0.00 19 V H H 21.29 16.35 16.49 33.36 92.12 49.17 -64.28 -43.03 0.58 0.00 99.41 0.20 0.06 0.27 99.32 0.14 0.00 0.00 0.00 20 R H H 87.43 12.16 18.28 30.53 91.57 51.52 -62.75 -42.19 0.33 0.00 99.67 0.10 0.03 0.16 99.62 0.09 0.00 0.00 0.00 21 E H H 104.79 2.24 22.35 23.21 91.68 49.86 -64.07 -42.05 0.37 0.00 99.63 0.08 0.03 0.22 99.53 0.13 0.00 0.00 0.00 22 Q H H 77.74 6.24 20.12 26.97 91.95 48.92 -65.10 -40.87 0.64 0.00 99.36 0.08 0.04 0.45 99.12 0.30 0.00 0.00 0.00 23 C H H 11.08 19.29 12.83 32.43 91.81 50.06 -66.30 -37.83 1.77 0.00 98.23 0.11 0.08 1.47 96.77 1.57 0.00 0.00 0.00 24 E H H 99.79 7.73 16.77 25.51 91.08 57.07 -67.90 -24.57 24.28 0.01 75.71 0.29 0.40 25.23 72.07 1.99 0.00 0.00 0.01 25 Q C T 134.25 1.51 18.34 18.94 93.81 55.11 -85.36 -8.79 69.95 0.02 30.04 0.93 1.56 67.78 27.81 1.89 0.00 0.00 0.02 26 L C S 43.67 13.64 8.69 22.89 114.97 99.33 -80.68 134.76 95.82 0.37 3.81 28.29 65.26 1.67 3.97 0.32 0.00 0.06 0.44 27 E H H 151.86 1.04 17.15 17.27 92.66 -134.50 -61.35 -36.37 15.99 0.03 83.99 1.00 2.00 12.91 78.95 5.07 0.03 0.01 0.02 28 K H H 108.34 6.26 17.24 24.42 92.38 52.21 -68.36 -34.19 14.85 0.02 85.14 0.53 0.89 13.79 80.07 4.67 0.03 0.00 0.01 29 C H H 10.71 19.52 12.29 31.87 96.22 47.21 -76.94 -34.02 8.56 0.02 91.42 0.84 0.60 6.94 86.74 4.85 0.01 0.01 0.01 30 V H H 64.54 5.46 19.49 25.90 91.43 59.18 -62.72 -42.12 1.09 0.00 98.91 0.28 0.11 0.50 98.76 0.34 0.00 0.00 0.00 31 K H H 113.06 2.32 23.02 24.07 91.49 50.01 -64.41 -41.43 0.81 0.00 99.19 0.13 0.04 0.50 99.12 0.20 0.00 0.00 0.00 32 A H H 12.82 15.93 16.94 33.83 91.55 50.45 -64.40 -41.98 0.26 0.00 99.74 0.03 0.01 0.15 99.74 0.07 0.00 0.00 0.00 33 R H H 88.73 13.05 19.41 32.05 91.85 52.21 -62.87 -41.54 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 34 E H H 106.89 2.10 23.65 24.06 91.54 50.25 -63.80 -41.77 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 35 R H H 96.30 8.06 21.29 29.75 91.85 49.59 -64.57 -41.56 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 36 L H H 17.40 19.13 16.01 35.31 91.94 50.46 -63.77 -41.81 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 37 E H H 97.31 3.94 22.82 26.64 91.37 50.81 -63.67 -41.45 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 38 L H H 80.30 2.99 22.22 24.45 91.59 49.87 -64.30 -41.95 0.27 0.00 99.73 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 39 C H H 14.08 15.47 15.95 32.56 91.86 50.19 -64.17 -41.96 0.49 0.00 99.51 0.05 0.02 0.32 99.52 0.08 0.00 0.00 0.00 40 D H H 57.08 10.31 18.15 29.03 91.81 52.03 -63.75 -40.56 1.22 0.00 98.77 0.14 0.08 0.83 98.73 0.22 0.00 0.00 0.00 41 E H H 119.41 1.46 21.32 20.60 92.05 49.96 -65.60 -40.15 3.68 0.01 96.31 0.36 0.27 2.81 95.92 0.64 0.00 0.00 0.00 42 R H H 100.30 6.17 17.26 24.42 93.12 48.34 -68.01 -38.30 8.15 0.04 91.81 1.18 0.84 5.85 91.09 1.00 0.01 0.01 0.02 43 V H H 33.38 14.38 11.69 26.47 94.26 51.43 -70.84 -34.67 19.52 0.31 80.17 6.15 3.46 10.44 78.04 1.58 0.04 0.11 0.18 44 S H H 74.64 3.04 15.07 18.81 95.23 56.54 -73.06 -23.77 42.50 0.67 56.83 15.78 7.38 19.62 54.54 2.03 0.03 0.24 0.38 45 S C H 73.68 2.70 11.94 15.71 101.91 69.11 -82.37 -5.94 64.21 0.77 35.03 21.24 15.02 28.14 31.74 3.10 0.02 0.27 0.47 46 R C C 154.27 3.76 10.19 15.57 101.84 67.87 -81.99 -1.01 78.56 0.69 20.76 30.44 23.49 24.79 16.61 3.93 0.01 0.24 0.50 47 S C C 73.54 3.62 10.25 15.34 104.74 85.90 -84.62 19.52 84.92 0.64 14.45 43.20 17.66 24.28 8.71 5.41 0.00 0.25 0.49 48 Q C C 129.65 3.05 10.35 14.93 101.05 65.33 -79.48 3.57 82.35 0.71 16.93 34.04 24.85 24.06 7.80 8.36 0.00 0.27 0.61 49 T C C 91.56 3.52 10.49 15.54 105.03 78.13 -90.66 21.78 83.19 0.82 15.99 28.21 27.92 27.95 6.78 8.17 0.00 0.34 0.62 50 E C C 136.54 2.91 12.94 17.14 104.43 70.56 -86.69 42.58 85.34 1.76 12.91 47.80 20.12 17.72 5.82 6.70 0.00 0.85 0.99 51 E C C 77.41 11.01 11.03 22.74 116.01 148.35 -89.27 137.97 90.18 2.55 7.26 75.68 10.99 3.06 5.83 1.77 0.00 1.14 1.52 52 D C C 74.73 5.67 18.66 24.93 115.88 -148.76 -91.54 140.43 88.52 4.13 7.35 82.58 3.62 2.03 6.70 0.99 0.00 1.60 2.48 53 C H H 34.71 16.84 13.57 30.03 94.34 -126.41 -65.67 -28.98 42.82 0.80 56.38 25.74 7.49 9.71 54.23 2.08 0.01 0.33 0.39 54 T H H 67.21 6.25 19.11 26.12 92.23 61.37 -64.13 -40.01 11.89 0.31 87.80 4.64 2.20 5.32 84.94 2.55 0.04 0.15 0.15 55 E H H 88.52 5.31 20.74 26.50 92.21 51.06 -65.43 -40.30 3.74 0.05 96.21 0.93 0.49 2.19 91.28 5.07 0.01 0.03 0.01 56 E H H 33.45 16.11 17.18 33.43 92.18 50.61 -65.29 -41.30 3.38 0.04 96.59 0.73 0.34 2.13 91.54 5.21 0.00 0.02 0.01 57 L H H 47.03 13.63 18.88 32.59 92.06 51.21 -63.80 -41.34 3.91 0.03 96.06 0.78 0.42 2.55 92.14 4.08 0.01 0.02 0.01 58 F H H 99.56 5.06 22.14 27.21 91.59 50.80 -64.02 -42.02 2.95 0.02 97.03 0.57 0.29 1.97 95.38 1.77 0.01 0.01 0.01 59 D H H 46.78 11.04 19.91 31.44 92.15 51.24 -65.30 -40.94 3.01 0.01 96.98 0.43 0.23 2.23 94.89 2.20 0.00 0.01 0.00 60 F H H 36.83 17.66 18.10 35.35 92.07 50.63 -64.84 -41.26 1.90 0.01 98.09 0.30 0.17 1.34 94.76 3.42 0.00 0.00 0.00 61 L H H 67.55 9.30 20.93 30.59 91.91 51.24 -65.11 -38.91 2.72 0.01 97.27 0.28 0.21 2.09 93.17 4.23 0.00 0.00 0.00 62 H H H 88.70 7.08 20.75 28.24 92.21 51.81 -68.90 -31.00 10.10 0.03 89.87 0.66 0.66 8.50 84.76 5.36 0.02 0.01 0.02 63 A H H 20.61 16.79 15.05 32.00 94.52 61.71 -69.66 -29.59 23.74 0.14 76.11 3.50 2.57 17.58 70.07 6.07 0.06 0.06 0.10 64 R H H 103.82 11.61 18.90 30.04 95.22 58.07 -74.96 -29.90 40.87 0.44 58.68 5.28 7.41 28.66 53.42 4.58 0.17 0.17 0.30 65 D C C 67.54 8.79 18.07 27.35 109.26 55.23 -99.65 93.70 68.53 0.87 30.61 33.02 15.62 19.31 27.68 3.46 0.01 0.27 0.62 66 H H H 100.99 10.16 17.29 27.80 95.14 -157.26 -66.36 -24.37 49.07 0.21 50.72 3.78 5.81 38.31 46.45 5.34 0.07 0.09 0.16 67 C H H 55.78 7.29 20.01 27.86 94.39 56.27 -68.63 -35.21 44.62 0.13 55.24 3.01 3.94 36.59 52.07 4.18 0.05 0.05 0.10 68 V H H 29.29 12.55 19.00 32.50 92.67 51.51 -66.22 -41.15 7.57 0.04 92.39 2.07 0.89 4.47 89.97 2.55 0.01 0.02 0.03 69 A H H 16.76 16.20 16.42 33.27 91.99 53.81 -62.15 -42.65 1.68 0.01 98.31 0.50 0.18 0.89 97.39 1.02 0.00 0.00 0.00 70 H H H 96.96 5.18 20.63 26.28 91.80 50.95 -64.37 -40.97 0.87 0.00 99.12 0.23 0.08 0.49 98.34 0.85 0.00 0.00 0.00 71 K H H 105.22 3.97 20.41 24.32 91.96 49.78 -65.23 -41.52 0.76 0.00 99.24 0.17 0.06 0.45 98.57 0.74 0.00 0.00 0.00 72 L H H 34.79 13.44 15.72 30.13 92.16 49.31 -65.01 -42.13 1.35 0.01 98.65 0.26 0.11 0.88 97.98 0.77 0.00 0.00 0.00 73 F H H 68.16 10.94 14.50 26.31 92.24 50.00 -64.86 -39.76 3.18 0.01 96.80 0.59 0.29 2.17 95.01 1.92 0.00 0.00 0.01 74 N H H 106.30 1.90 15.89 17.71 92.38 52.41 -66.82 -33.87 10.68 0.02 89.30 0.88 0.64 8.91 85.61 3.94 0.01 0.01 0.01 75 S H H 70.32 3.75 13.13 18.04 93.41 54.96 -73.28 -22.73 28.43 0.05 71.52 2.11 1.56 24.41 67.75 4.11 0.02 0.02 0.03 76 L C H 73.75 10.46 8.88 19.71 98.73 57.90 -84.94 -5.56 51.20 0.33 48.47 22.46 2.03 26.87 45.23 3.04 0.00 0.12 0.25 77 K C C 145.54 3.40 13.64 18.68 104.46 135.06 -72.06 87.11 99.94 0.03 0.02 99.83 0.07 0.06 0.01 0.00 0.00 0.01 0.00