# 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 67.84 4.61 12.88 18.56 107.01 72.89 -80.88 128.85 99.16 0.14 0.70 98.81 0.19 0.31 0.55 0.04 0.00 0.06 0.03 1 A C C 72.89 3.44 10.25 15.06 101.04 56.54 -75.50 -24.26 56.75 2.29 40.96 48.99 1.87 6.21 37.58 3.23 0.00 1.41 0.71 2 A H H 76.00 2.53 9.31 13.20 98.62 57.61 -71.69 -32.76 47.45 3.68 48.87 33.74 6.70 7.83 43.60 4.72 0.02 2.56 0.83 3 R H H 162.87 1.86 10.76 13.46 96.39 56.16 -70.86 -33.98 39.49 4.64 55.87 28.00 6.21 6.80 49.10 5.49 0.03 3.45 0.93 4 L H H 107.91 3.00 10.59 14.89 96.20 52.83 -71.31 -34.06 35.99 3.44 60.57 25.70 5.87 6.17 54.45 4.64 0.02 2.37 0.77 5 S H H 67.14 3.46 12.17 16.79 96.62 53.71 -70.40 -34.13 34.54 2.00 63.45 23.82 5.50 6.88 58.51 3.50 0.02 1.23 0.55 6 S H H 68.59 2.88 12.99 16.71 96.83 51.95 -70.20 -37.44 25.15 0.95 73.91 12.42 4.90 9.44 68.64 3.70 0.04 0.53 0.32 7 G H H 39.47 3.87 13.56 18.55 95.83 51.83 -63.56 -39.96 22.32 0.77 76.91 10.42 4.14 9.29 71.46 3.96 0.04 0.44 0.26 8 L H H 94.35 3.79 13.41 18.19 94.91 52.95 -68.81 -38.05 15.24 1.07 83.69 9.09 2.80 5.01 78.22 3.86 0.03 0.74 0.26 9 R H H 142.50 3.06 14.80 18.48 95.11 52.85 -68.08 -38.75 14.20 1.84 83.96 8.91 2.52 4.51 78.85 3.41 0.04 1.42 0.35 10 I H H 94.55 4.18 13.86 19.04 94.79 52.23 -67.73 -39.52 14.46 1.73 83.81 8.88 2.69 4.63 79.23 2.95 0.04 1.24 0.35 11 N H H 95.84 3.56 15.18 19.34 94.61 51.19 -68.38 -37.92 18.33 1.11 80.57 10.86 3.13 5.89 76.57 2.55 0.02 0.68 0.30 12 S H H 61.24 3.74 14.38 18.98 94.72 53.88 -67.89 -39.01 20.57 0.91 78.53 10.49 3.67 8.01 73.85 3.12 0.04 0.54 0.29 13 A H H 61.83 4.16 13.64 18.78 94.31 51.65 -67.67 -38.83 18.60 0.99 80.42 9.49 3.69 7.30 74.63 3.93 0.05 0.60 0.31 14 K H H 126.23 3.31 14.34 18.37 95.50 51.60 -70.19 -36.45 19.14 1.41 79.45 10.14 3.88 7.25 73.12 4.22 0.06 0.90 0.41 15 D H H 91.90 3.15 14.36 18.08 97.23 50.50 -73.06 -37.91 23.04 1.48 75.48 12.17 4.45 8.65 69.17 4.13 0.07 0.91 0.46 16 D H H 94.41 3.18 13.86 17.62 96.99 47.67 -72.22 -34.00 27.27 1.30 71.43 12.83 5.38 11.42 64.80 4.28 0.08 0.72 0.49 17 A H H 64.94 4.38 13.08 18.58 94.24 51.98 -68.58 -35.47 30.05 1.14 68.81 11.06 6.15 15.20 61.31 5.04 0.14 0.60 0.51 18 A H H 68.68 3.53 13.80 18.37 94.70 52.70 -68.61 -32.00 39.15 0.87 59.98 10.64 7.20 23.14 52.45 5.53 0.15 0.42 0.45 19 G H H 44.82 4.17 14.04 19.18 97.30 48.04 -64.97 -25.00 47.42 1.05 51.53 14.26 9.32 25.60 42.83 6.83 0.12 0.50 0.55 20 Q H H 109.39 4.51 13.36 18.96 98.08 60.91 -75.25 -26.96 40.07 2.54 57.38 18.79 9.06 14.68 45.80 9.15 0.13 1.53 0.87 21 A H H 62.56 4.99 12.84 19.25 100.62 63.05 -73.92 -24.55 39.10 5.91 54.99 20.96 8.16 12.30 43.78 8.96 0.17 4.33 1.35 22 I H H 102.06 4.88 12.84 18.95 104.31 50.10 -84.59 -8.40 37.40 11.83 50.78 21.77 7.90 10.48 40.65 7.74 0.23 9.03 2.20 23 A H H 68.81 5.10 11.38 17.94 102.06 52.11 -79.48 -10.13 43.84 11.35 44.80 24.42 9.45 12.17 37.00 6.01 0.22 8.60 2.12 24 N C C 112.62 3.08 11.82 16.13 106.16 53.64 -89.40 39.59 61.90 7.99 30.11 31.13 12.50 18.98 24.80 5.07 0.10 5.50 1.92 25 S C C 84.73 2.57 10.88 14.77 102.79 63.34 -84.17 23.77 78.57 3.02 18.42 43.36 15.21 20.11 14.55 3.90 0.01 1.63 1.22 26 G C C 54.74 2.84 11.26 15.44 102.77 26.75 -24.85 -4.94 90.96 1.01 8.04 58.90 14.35 17.83 5.25 2.63 0.00 0.50 0.55 27 S C C 83.35 2.48 11.40 15.17 106.49 91.18 -89.30 29.67 90.25 1.09 8.66 60.69 15.08 14.57 5.24 3.25 0.00 0.51 0.65 28 G C C 43.85 4.53 11.61 17.62 114.92 -69.86 -71.90 174.77 83.68 1.65 14.67 50.66 16.84 16.33 9.17 5.26 0.00 0.72 1.01 29 S C C 78.80 3.95 12.05 17.08 104.41 -82.05 -77.90 10.76 68.08 1.59 30.33 34.28 15.07 19.23 21.68 8.12 0.02 0.70 0.90 30 G C H 42.27 5.52 12.40 19.19 101.63 53.53 -51.85 -26.56 57.37 1.73 40.90 29.50 12.38 16.51 29.70 10.23 0.03 0.81 0.84 31 S H H 64.15 4.79 12.66 18.79 100.61 66.90 -73.07 -27.75 43.17 2.58 54.25 26.73 8.16 9.39 40.41 12.94 0.04 1.51 0.84 32 R H H 142.64 3.79 13.80 18.61 96.99 58.50 -73.08 -29.69 34.45 5.62 59.93 20.52 7.30 8.91 46.23 11.66 0.12 3.96 1.31 33 I H H 80.98 8.13 11.07 20.32 97.18 58.27 -74.23 -32.01 33.85 7.21 58.94 21.55 7.15 7.96 47.04 9.34 0.13 5.24 1.61 34 E H H 121.13 3.83 13.66 18.62 96.35 60.12 -71.96 -30.37 42.99 4.32 52.69 26.17 8.59 10.25 45.20 5.80 0.07 2.71 1.20 35 D C H 97.70 3.03 13.23 17.17 99.94 54.16 -85.86 -0.61 53.08 2.01 44.91 27.90 11.41 14.79 39.33 4.74 0.04 1.00 0.78 36 S C H 63.08 5.51 11.91 18.78 100.44 92.10 -78.50 -16.11 51.57 0.85 47.59 16.70 14.00 21.16 43.80 3.55 0.05 0.36 0.39 37 D H H 90.91 3.72 14.11 18.70 99.84 66.65 -78.19 -10.16 44.17 0.88 54.94 21.41 8.44 14.92 51.71 2.72 0.03 0.37 0.40 38 Y H H 116.68 5.08 13.61 20.02 94.79 87.83 -65.99 -38.89 11.38 0.22 88.40 6.28 2.06 3.47 86.73 1.29 0.01 0.10 0.07 39 A H H 55.19 3.99 14.84 20.04 92.85 52.91 -64.81 -40.34 4.72 0.12 95.16 2.48 0.73 1.75 94.04 0.91 0.00 0.06 0.03 40 T H H 74.06 2.79 16.27 19.34 92.51 49.98 -66.07 -40.85 3.15 0.10 96.75 1.67 0.49 1.23 95.73 0.80 0.00 0.06 0.02 41 E H H 98.31 3.42 16.38 20.34 92.59 50.54 -65.43 -41.40 2.38 0.07 97.55 1.16 0.35 1.00 96.83 0.59 0.00 0.04 0.02 42 V H H 72.03 3.93 16.04 20.91 92.36 49.54 -64.87 -41.61 2.44 0.06 97.50 1.07 0.34 1.05 97.05 0.45 0.00 0.03 0.02 43 S H H 54.98 3.24 16.37 20.26 92.16 50.64 -64.62 -41.03 3.76 0.06 96.18 1.49 0.45 1.69 95.90 0.43 0.00 0.02 0.02 44 N H H 90.81 2.65 16.97 19.63 92.46 49.62 -65.74 -39.89 5.38 0.06 94.56 1.91 0.70 2.70 94.14 0.49 0.00 0.02 0.03 45 M H H 97.93 3.16 16.55 20.02 92.07 50.40 -65.29 -40.60 4.18 0.03 95.78 1.49 0.55 1.98 95.54 0.40 0.00 0.01 0.02 46 S H H 56.37 3.08 16.53 20.04 92.15 50.85 -64.47 -41.33 3.70 0.03 96.27 1.52 0.43 1.54 96.18 0.30 0.00 0.01 0.01 47 R H H 132.09 2.65 17.04 19.83 92.10 49.98 -64.77 -40.48 1.45 0.01 98.55 0.50 0.15 0.65 98.51 0.17 0.00 0.00 0.00 48 A H H 50.01 3.59 15.90 20.40 91.75 50.83 -64.14 -40.84 0.69 0.00 99.31 0.20 0.06 0.33 99.30 0.11 0.00 0.00 0.00 49 Q H H 100.16 2.37 17.22 19.36 91.97 50.43 -64.79 -40.75 0.62 0.00 99.38 0.17 0.05 0.33 99.36 0.10 0.00 0.00 0.00 50 I H H 88.58 2.94 16.52 19.79 92.08 49.84 -64.28 -42.10 0.42 0.00 99.58 0.12 0.03 0.21 99.57 0.07 0.00 0.00 0.00 51 L H H 89.57 3.75 16.24 20.52 92.02 49.80 -64.46 -40.98 0.41 0.00 99.59 0.11 0.03 0.21 99.58 0.07 0.00 0.00 0.00 52 Q H H 105.90 2.73 16.98 19.80 91.93 50.16 -64.62 -40.73 0.75 0.00 99.25 0.14 0.05 0.46 99.24 0.11 0.00 0.00 0.00 53 Q H H 107.71 2.00 17.91 19.25 92.14 49.38 -65.25 -40.78 1.41 0.00 98.59 0.20 0.09 0.96 98.58 0.17 0.00 0.00 0.00 54 A H H 53.18 3.47 16.42 20.52 91.92 50.32 -64.57 -40.98 2.39 0.00 97.61 0.36 0.18 1.57 97.63 0.26 0.00 0.00 0.00 55 G H H 31.97 4.83 15.48 21.47 92.27 51.18 -64.20 -41.29 4.52 0.01 95.47 0.79 0.37 2.98 95.43 0.43 0.00 0.00 0.01 56 T H H 78.93 2.31 17.58 19.47 92.18 49.76 -65.50 -40.38 3.21 0.02 96.78 0.83 0.39 1.76 96.58 0.42 0.00 0.01 0.01 57 S H H 61.35 2.36 17.39 19.42 92.26 50.54 -65.10 -41.24 2.61 0.02 97.37 0.88 0.33 1.30 96.98 0.48 0.00 0.01 0.01 58 V H H 73.36 4.42 15.53 20.69 92.17 49.50 -65.42 -41.71 1.96 0.03 98.02 0.61 0.22 1.01 97.64 0.49 0.00 0.01 0.01 59 L H H 90.43 3.61 15.52 19.68 92.03 49.64 -64.57 -40.72 2.11 0.03 97.86 0.60 0.22 1.15 97.38 0.63 0.00 0.01 0.01 60 A H H 62.27 2.04 15.47 17.44 92.05 50.99 -64.96 -39.68 4.32 0.04 95.64 0.91 0.43 2.73 94.87 1.02 0.01 0.02 0.01 61 Q H H 109.08 2.36 14.85 17.44 93.49 49.29 -69.51 -34.26 9.66 0.07 90.28 1.67 1.04 6.79 88.78 1.65 0.02 0.03 0.03 62 A H H 56.27 6.60 10.96 19.06 93.58 62.72 -65.50 -31.44 19.43 0.18 80.39 4.22 2.54 12.94 76.22 3.85 0.05 0.08 0.10 63 N H H 122.63 1.81 13.81 15.90 96.46 53.86 -80.32 -6.87 45.22 0.37 54.41 8.15 5.12 31.95 50.09 4.26 0.05 0.16 0.22 64 Q C T 130.39 1.88 13.42 15.75 101.20 68.39 -88.86 5.93 62.35 0.86 36.79 18.41 12.74 32.11 31.32 4.54 0.04 0.34 0.51 65 V C S 67.61 8.46 8.42 18.19 115.35 116.79 -87.15 132.48 86.00 0.72 13.28 34.85 45.59 4.55 13.16 1.17 0.00 0.19 0.49 66 P C C 73.79 3.50 12.16 17.09 112.11 -107.65 -65.17 145.15 81.14 0.43 18.43 73.28 2.36 4.48 18.01 1.48 0.00 0.17 0.21 67 Q H H 133.10 2.44 10.83 14.83 93.57 -120.55 -61.87 -34.66 23.92 0.30 75.78 9.84 4.96 10.35 70.68 3.85 0.03 0.14 0.15 68 N H H 113.94 1.08 12.97 13.49 92.93 55.28 -67.26 -34.50 17.83 0.26 81.90 5.68 3.20 9.78 77.02 4.02 0.05 0.14 0.12 69 V H H 67.16 4.38 11.45 17.43 93.30 51.25 -67.17 -40.74 9.31 0.26 90.43 3.67 1.51 4.62 85.55 4.36 0.04 0.17 0.09 70 L H H 66.14 6.23 10.10 18.28 92.47 52.28 -64.44 -39.75 4.56 0.17 95.28 1.88 0.72 2.20 89.66 5.37 0.01 0.12 0.04 71 S H H 71.70 1.68 11.84 14.04 92.22 53.29 -65.35 -36.79 7.34 0.13 92.53 1.69 0.79 4.56 84.03 8.79 0.02 0.09 0.04 72 L H H 120.96 1.42 10.85 12.67 93.17 53.55 -69.58 -30.38 13.85 0.13 86.03 2.06 1.26 10.18 78.52 7.80 0.04 0.07 0.06 73 L H H 105.82 4.15 8.89 14.47 97.22 54.54 -83.39 -9.50 34.46 0.55 64.99 13.64 1.98 19.81 60.06 3.86 0.02 0.22 0.40 74 R C C 161.38 3.58 11.92 17.23 103.68 118.39 -70.39 74.65 99.79 0.05 0.15 99.19 0.19 0.44 0.13 0.01 0.00 0.03 0.01