# 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 61.96 7.44 11.64 20.36 117.07 -142.39 -85.91 144.72 99.90 0.06 0.04 99.83 0.08 0.04 0.02 0.00 0.00 0.02 0.01 1 K C C 137.39 3.60 10.58 16.06 115.42 -140.24 -92.49 139.56 87.52 1.86 10.62 83.13 1.25 3.78 8.44 1.52 0.00 0.81 1.07 2 S C C 65.02 5.07 8.66 15.46 113.80 -118.15 -80.78 146.13 76.81 1.92 21.27 61.65 7.43 7.55 16.81 4.60 0.00 0.90 1.07 3 K C H 157.61 1.72 11.08 13.89 96.20 -129.52 -68.87 -25.09 55.53 0.99 43.49 21.62 13.37 21.58 33.92 8.47 0.04 0.45 0.56 4 N C H 97.95 4.04 10.98 16.53 100.00 56.87 -90.01 6.19 52.40 0.95 46.64 20.72 12.66 20.44 36.94 8.21 0.05 0.41 0.58 5 H H H 98.53 6.79 11.03 19.21 102.62 89.50 -80.43 -5.37 43.49 1.27 55.24 27.79 9.14 8.17 48.47 5.26 0.01 0.53 0.62 6 T H H 73.99 5.04 13.14 19.46 102.29 81.45 -82.72 -18.78 38.43 1.17 60.40 26.37 6.56 6.77 55.64 3.64 0.01 0.54 0.47 7 T H H 71.18 5.40 14.23 20.77 100.46 54.66 -77.62 -29.71 30.56 0.88 68.56 19.50 6.21 6.30 63.96 3.28 0.01 0.41 0.33 8 H H H 95.47 6.79 13.77 21.71 97.51 60.02 -70.08 -36.09 25.58 0.68 73.74 14.61 5.49 7.05 68.85 3.39 0.02 0.32 0.27 9 N H H 84.49 4.97 15.37 21.27 95.37 52.74 -71.32 -31.80 24.86 0.50 74.65 13.34 4.94 7.90 70.06 3.29 0.02 0.23 0.21 10 Q H H 89.71 5.30 15.28 21.64 95.30 55.50 -70.81 -32.86 21.61 0.39 78.00 11.31 4.41 7.07 74.01 2.83 0.01 0.17 0.17 11 S H H 42.48 7.77 13.09 22.45 96.50 57.09 -69.39 -37.01 18.93 0.35 80.72 11.33 3.31 5.41 77.16 2.48 0.01 0.16 0.14 12 R H H 130.22 3.19 15.58 19.45 93.88 57.01 -66.27 -38.36 11.23 0.24 88.52 4.72 2.04 5.15 85.33 2.52 0.03 0.12 0.09 13 K H H 100.60 3.45 14.93 19.25 92.92 53.21 -66.18 -40.00 8.85 0.27 90.88 3.49 1.67 4.47 87.27 2.81 0.05 0.15 0.10 14 W H H 95.22 7.31 11.82 20.86 93.07 50.71 -66.93 -39.99 7.34 0.29 92.37 3.11 1.26 3.63 88.26 3.45 0.04 0.17 0.09 15 H H H 111.15 4.50 12.51 18.33 94.40 48.76 -70.40 -37.15 9.67 0.42 89.92 3.40 1.54 5.51 84.80 4.26 0.08 0.25 0.15 16 R H H 161.60 1.63 13.26 15.08 96.44 48.75 -77.32 -31.89 17.17 0.29 82.54 2.81 2.56 12.45 77.96 3.81 0.12 0.14 0.15 17 N H H 103.39 2.81 12.09 15.83 99.63 31.27 -99.50 1.89 42.70 0.24 57.06 3.92 6.62 31.79 55.32 2.02 0.07 0.08 0.17 18 G C T 51.12 3.05 12.06 16.38 98.80 -111.57 78.43 13.15 97.39 0.51 2.10 35.50 23.60 38.54 0.83 1.06 0.00 0.24 0.23 19 I C C 83.15 7.21 8.67 17.59 115.87 136.35 -91.31 134.08 94.98 2.89 2.13 71.50 19.11 4.08 0.87 1.18 0.00 1.19 2.08 20 K C C 147.74 2.05 13.05 16.25 115.86 -139.37 -88.67 140.95 96.87 1.82 1.31 77.62 16.84 2.28 0.57 0.66 0.00 0.74 1.29 21 K C C 124.14 6.29 10.31 18.33 114.47 -107.08 -79.41 134.34 99.19 0.48 0.33 83.04 15.68 0.53 0.16 0.13 0.00 0.18 0.28 22 P C C 63.75 7.01 9.03 17.90 113.96 -109.45 -65.64 148.64 93.50 0.60 5.90 85.74 4.23 3.98 2.03 3.32 0.00 0.25 0.46 23 R C C 186.26 1.22 11.10 12.93 95.15 -121.74 -65.53 -26.60 63.05 0.75 36.20 27.49 15.23 20.15 10.48 25.72 0.00 0.30 0.61 24 S C G 74.15 2.99 9.48 13.95 100.59 62.91 -82.37 -6.80 53.57 0.76 45.67 18.84 12.97 21.69 13.32 32.32 0.01 0.33 0.52 25 Q H G 116.57 4.10 9.96 15.69 99.31 60.61 -76.99 -2.09 46.47 0.75 52.78 23.74 9.36 12.93 17.53 35.68 0.00 0.36 0.39 26 R C C 144.33 3.77 10.86 16.20 100.60 91.38 -77.60 -11.84 54.78 0.99 44.23 27.43 11.44 15.66 18.12 26.26 0.01 0.43 0.65 27 Y C C 106.70 7.70 9.20 18.19 104.80 59.22 -96.26 49.14 62.05 0.97 36.98 38.16 12.05 11.68 14.95 22.01 0.00 0.39 0.76 28 E H G 132.91 2.54 13.06 16.89 95.73 111.03 -68.03 -30.50 28.74 0.34 70.92 7.22 4.39 16.20 11.90 59.94 0.00 0.19 0.15 29 S H G 73.91 3.41 13.19 17.69 94.04 62.29 -74.74 -14.04 31.64 0.24 68.12 4.46 3.74 21.77 9.44 60.34 0.00 0.13 0.11 30 L H G 53.80 12.62 8.85 21.78 95.89 58.31 -91.43 -2.70 39.69 0.40 59.91 11.11 6.15 21.00 5.27 56.04 0.00 0.20 0.22 31 K C T 142.40 3.25 11.49 17.29 110.45 121.12 -64.16 130.63 97.12 0.24 2.63 3.37 3.75 90.38 0.85 1.30 0.00 0.09 0.25 32 G C T 65.86 0.59 14.75 13.57 95.33 19.39 83.18 0.02 99.15 0.08 0.77 2.27 5.29 91.66 0.11 0.60 0.00 0.04 0.03 33 V C C 53.65 11.28 7.34 19.27 119.79 120.41 -81.59 145.18 97.75 2.02 0.24 62.02 34.45 0.41 0.12 0.09 0.00 0.32 2.60 34 D C C 78.54 3.55 13.62 18.31 111.50 -105.58 -71.29 136.57 99.88 0.10 0.03 99.11 0.78 0.02 0.01 0.00 0.00 0.02 0.06 35 P H H 90.05 3.87 12.12 17.77 92.11 -126.61 -59.32 -34.80 4.43 0.00 95.57 0.27 0.29 3.76 94.75 0.92 0.00 0.00 0.00 36 K H H 131.39 2.17 14.99 17.47 91.86 54.59 -65.19 -39.49 1.90 0.00 98.10 0.12 0.12 1.58 97.24 0.93 0.00 0.00 0.00 37 F H H 88.97 5.45 14.09 20.87 92.43 48.90 -66.02 -40.58 0.44 0.00 99.56 0.09 0.03 0.24 98.99 0.64 0.00 0.00 0.00 38 L H H 62.84 6.16 14.24 22.19 91.97 51.09 -64.03 -41.86 0.18 0.00 99.82 0.03 0.01 0.10 99.67 0.20 0.00 0.00 0.00 39 R H H 122.82 2.95 17.55 20.72 91.90 50.19 -64.04 -41.61 0.39 0.00 99.61 0.03 0.01 0.28 99.52 0.16 0.00 0.00 0.00 40 N H H 71.38 4.98 16.82 22.67 91.96 49.41 -64.94 -40.58 1.37 0.00 98.63 0.09 0.05 1.10 98.57 0.19 0.00 0.00 0.00 41 M H H 70.04 7.14 16.09 24.63 92.10 51.26 -64.59 -41.01 1.12 0.00 98.88 0.16 0.08 0.71 98.64 0.40 0.00 0.00 0.00 42 R H H 113.40 3.48 18.17 21.92 91.95 50.82 -64.48 -41.48 1.23 0.00 98.77 0.18 0.09 0.80 98.31 0.63 0.00 0.00 0.00 43 F H H 92.64 3.71 17.20 21.53 92.01 49.63 -64.81 -41.33 1.41 0.00 98.59 0.23 0.12 0.89 97.90 0.86 0.00 0.00 0.00 44 A H H 32.67 7.78 13.06 22.94 91.72 52.33 -63.74 -40.05 1.89 0.01 98.11 0.32 0.17 1.18 97.02 1.30 0.00 0.00 0.00 45 K H H 123.54 3.35 15.66 19.91 92.07 51.85 -65.84 -34.50 5.28 0.02 94.70 0.51 0.38 4.10 92.15 2.84 0.01 0.01 0.01 46 K H H 140.31 1.75 15.68 17.16 92.57 52.35 -70.83 -29.47 12.14 0.03 87.83 0.69 0.82 10.51 85.81 2.13 0.02 0.01 0.02 47 H H H 108.84 5.13 12.08 18.47 100.90 43.24 -96.89 1.03 40.73 0.38 58.88 7.51 7.92 26.01 55.98 2.12 0.06 0.12 0.27 48 N C C 75.61 4.51 12.92 18.73 123.06 92.29 -97.21 161.60 63.53 0.90 35.58 48.91 5.89 7.30 34.86 2.18 0.00 0.30 0.56 49 K H H 148.75 2.35 13.18 16.62 92.87 -99.45 -61.80 -35.19 15.89 0.14 83.97 3.18 2.83 10.07 79.71 4.03 0.05 0.06 0.08 50 K H H 137.26 1.27 15.85 16.10 92.33 53.70 -65.40 -39.24 11.71 0.09 88.21 1.83 1.59 7.98 84.28 4.18 0.05 0.04 0.05 51 G H H 19.75 6.04 13.16 21.67 92.27 50.88 -63.72 -41.40 8.44 0.08 91.48 3.23 1.31 3.96 88.45 2.96 0.01 0.04 0.04 52 L H H 66.01 6.57 13.82 22.15 92.06 51.00 -64.03 -41.20 2.68 0.03 97.29 1.01 0.39 1.25 96.28 1.05 0.01 0.01 0.01 53 K H H 123.37 1.97 17.39 19.00 91.69 50.70 -64.75 -40.84 1.84 0.02 98.14 0.57 0.23 0.97 97.37 0.85 0.01 0.01 0.00 54 K H H 122.20 2.02 17.43 19.08 91.98 49.70 -65.13 -40.67 1.99 0.03 97.98 0.64 0.26 1.04 97.16 0.88 0.01 0.01 0.01 55 M H H 75.89 6.64 14.98 23.15 92.36 50.23 -65.15 -40.65 2.57 0.03 97.40 0.78 0.33 1.39 96.68 0.79 0.01 0.02 0.01 56 Q H H 98.09 3.85 16.52 21.17 92.09 50.51 -65.18 -39.30 4.78 0.04 95.18 1.21 0.57 2.81 94.49 0.88 0.01 0.02 0.02 57 A H H 60.51 2.42 16.57 18.97 92.81 51.38 -66.97 -38.67 9.34 0.06 90.61 1.93 1.15 5.77 90.05 1.04 0.02 0.02 0.03 58 N H H 89.26 3.29 16.18 19.98 94.95 49.85 -71.91 -32.41 22.45 0.12 77.43 4.33 2.88 14.34 77.26 1.05 0.02 0.04 0.07 59 N H H 76.98 5.61 14.91 21.73 96.14 57.79 -69.12 -36.21 21.28 0.12 78.59 8.65 2.65 9.35 78.24 0.99 0.01 0.04 0.08 60 A H H 61.55 3.18 15.86 19.66 92.63 56.73 -64.34 -41.37 2.99 0.01 97.00 0.97 0.43 1.31 96.78 0.50 0.00 0.00 0.00 61 K H H 135.85 1.45 17.62 18.11 92.16 50.11 -65.50 -40.65 1.77 0.01 98.22 0.50 0.21 0.91 97.87 0.50 0.00 0.00 0.00 62 A H H 46.57 4.43 15.58 21.43 92.15 50.48 -64.47 -41.41 1.14 0.01 98.86 0.34 0.13 0.57 98.54 0.42 0.00 0.00 0.00 63 M H H 87.83 4.82 16.16 22.00 92.10 49.62 -64.84 -41.10 0.76 0.00 99.24 0.21 0.08 0.37 99.12 0.22 0.00 0.00 0.00 64 S H H 61.31 2.33 17.51 19.58 91.93 50.51 -64.19 -40.97 0.86 0.00 99.14 0.20 0.07 0.45 99.12 0.16 0.00 0.00 0.00 65 A H H 56.97 2.40 17.22 19.49 92.09 50.17 -64.55 -41.04 0.68 0.00 99.32 0.13 0.05 0.37 99.31 0.13 0.00 0.00 0.00 66 R H H 123.43 3.57 16.71 21.00 92.22 50.20 -65.44 -40.63 0.54 0.00 99.46 0.10 0.04 0.29 99.46 0.10 0.00 0.00 0.00 67 A H H 50.72 3.58 15.32 19.99 91.85 51.03 -63.69 -41.52 0.35 0.00 99.65 0.06 0.02 0.19 99.66 0.07 0.00 0.00 0.00 68 E H H 112.19 1.64 16.67 17.48 92.01 50.28 -64.56 -41.18 0.26 0.00 99.74 0.04 0.01 0.15 99.72 0.07 0.00 0.00 0.00 69 A H H 55.53 2.54 14.41 17.56 92.18 50.36 -64.37 -40.85 0.38 0.00 99.62 0.05 0.02 0.24 99.56 0.13 0.00 0.00 0.00 70 I H H 88.85 3.51 12.50 17.33 92.30 49.55 -65.73 -39.89 0.66 0.00 99.34 0.08 0.04 0.42 99.14 0.32 0.00 0.00 0.00 71 K H H 139.18 1.79 12.24 14.80 92.20 52.61 -65.54 -36.34 2.63 0.00 97.36 0.19 0.12 2.03 96.51 1.14 0.00 0.00 0.00 72 A H H 85.64 1.01 11.01 12.01 92.70 54.62 -69.72 -27.84 20.96 0.02 79.01 0.77 0.71 19.36 77.26 1.87 0.01 0.01 0.01 73 L H H 125.09 1.76 9.96 12.52 95.69 52.90 -80.46 -14.66 46.04 0.12 53.84 7.69 1.10 35.03 54.26 1.79 0.00 0.04 0.09 74 V C C 92.91 5.76 10.80 17.67 105.12 74.66 -84.40 35.94 99.85 0.10 0.04 99.72 0.14 0.05 0.03 0.00 0.00 0.04 0.02