# 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 121.36 4.44 10.51 16.62 113.46 -158.36 -91.08 128.26 99.94 0.04 0.01 99.87 0.07 0.03 0.01 0.00 0.00 0.02 0.01 1 N C C 114.68 2.72 8.96 13.41 112.39 -145.01 -92.05 122.78 95.72 0.82 3.46 92.44 1.22 2.20 2.92 0.41 0.00 0.30 0.51 2 S C C 74.39 3.04 8.37 13.12 113.87 -140.98 -88.75 134.23 79.84 0.74 19.41 62.30 12.27 4.46 18.04 2.25 0.00 0.31 0.37 3 P C C 95.80 3.01 8.47 13.17 102.20 -115.11 -67.94 -13.22 57.27 0.98 41.75 41.68 6.52 9.07 34.89 6.90 0.00 0.53 0.40 4 Q H H 123.13 2.52 9.31 13.26 104.09 59.09 -78.74 16.37 47.42 1.86 50.73 34.31 6.16 7.70 41.71 8.37 0.01 1.11 0.63 5 K H H 137.39 2.46 10.56 14.26 103.76 56.75 -81.18 3.33 42.19 2.72 55.09 30.58 6.38 6.42 46.22 7.91 0.02 1.65 0.82 6 V H H 89.62 4.14 9.98 15.63 104.50 57.63 -79.28 -22.22 46.33 2.36 51.30 34.08 6.76 6.43 45.34 5.29 0.01 1.36 0.73 7 A C C 66.46 3.38 11.50 16.10 103.99 53.39 -77.71 -5.57 57.66 1.41 40.93 42.74 6.36 8.18 37.67 3.78 0.00 0.73 0.54 8 Q C H 116.02 2.96 12.31 16.32 98.95 59.59 -70.94 -29.73 57.51 0.70 41.79 30.62 9.83 16.15 40.09 2.68 0.01 0.29 0.33 9 G C H 38.85 3.61 12.72 17.53 97.48 50.95 -64.71 -37.18 56.45 0.45 43.09 29.57 9.16 16.76 41.45 2.64 0.01 0.17 0.25 10 A H H 62.41 2.86 13.21 16.99 94.20 58.33 -66.34 -38.38 27.22 0.25 72.53 13.14 5.02 9.08 70.04 2.49 0.01 0.10 0.12 11 G H H 37.12 3.50 13.22 17.96 93.99 51.92 -64.88 -40.25 23.76 0.28 75.96 12.74 3.36 8.12 73.30 2.23 0.01 0.12 0.13 12 R H H 133.61 2.75 13.75 17.29 93.42 51.97 -66.66 -38.93 7.03 0.10 92.86 4.17 1.03 2.13 91.22 1.37 0.00 0.05 0.03 13 K H H 118.72 2.11 14.91 17.11 92.79 51.29 -65.85 -40.53 3.19 0.06 96.75 1.69 0.44 1.18 95.84 0.80 0.00 0.03 0.01 14 L H H 91.30 2.27 14.96 17.40 92.29 50.05 -64.86 -41.60 2.06 0.03 97.91 0.92 0.25 0.89 97.35 0.57 0.00 0.01 0.01 15 F H H 107.43 2.96 14.52 18.27 92.28 50.05 -65.28 -41.11 1.30 0.01 98.69 0.50 0.14 0.60 98.43 0.31 0.00 0.01 0.00 16 K H H 113.87 2.40 15.59 18.25 92.14 50.62 -64.84 -40.96 0.88 0.01 99.11 0.30 0.09 0.44 98.98 0.19 0.00 0.00 0.00 17 H H H 105.33 2.05 15.73 17.53 92.06 50.03 -64.57 -41.63 0.77 0.00 99.22 0.21 0.07 0.43 99.13 0.16 0.00 0.00 0.00 18 Y H H 121.95 2.42 15.60 18.22 92.26 49.52 -65.08 -41.75 0.79 0.00 99.20 0.20 0.07 0.46 99.14 0.13 0.00 0.00 0.00 19 I H H 84.95 3.08 14.96 18.90 92.12 49.26 -64.53 -41.91 0.55 0.00 99.45 0.15 0.05 0.28 99.45 0.07 0.00 0.00 0.00 20 N H H 88.33 2.17 15.82 17.92 92.11 49.81 -64.83 -40.36 0.67 0.00 99.33 0.16 0.06 0.35 99.34 0.08 0.00 0.00 0.00 21 E H H 105.99 1.92 15.95 17.48 91.97 50.38 -65.25 -40.39 0.84 0.00 99.16 0.17 0.07 0.48 99.17 0.10 0.00 0.00 0.00 22 N H H 84.15 2.54 15.44 18.29 92.32 50.41 -65.59 -39.93 1.55 0.01 98.44 0.33 0.14 0.91 98.45 0.15 0.00 0.00 0.00 23 I H H 88.17 2.75 14.78 18.15 92.40 50.36 -65.15 -41.34 2.03 0.01 97.96 0.71 0.24 0.99 97.83 0.23 0.00 0.00 0.00 24 K H H 121.76 1.71 15.94 17.13 92.30 50.88 -64.96 -40.79 2.68 0.02 97.30 1.04 0.30 1.22 97.11 0.32 0.00 0.00 0.01 25 S H H 60.53 2.15 15.44 17.54 92.28 50.14 -65.22 -40.29 5.11 0.02 94.87 1.50 0.53 2.68 94.85 0.42 0.00 0.01 0.01 26 N H H 84.67 2.68 14.89 18.12 92.53 50.53 -66.07 -39.22 7.77 0.03 92.20 3.39 0.92 2.98 92.22 0.46 0.00 0.01 0.01 27 N H H 90.25 2.36 15.41 17.98 92.40 52.01 -65.46 -39.68 6.43 0.03 93.54 3.24 0.68 2.16 93.47 0.42 0.00 0.01 0.01 28 E H H 107.13 2.06 15.60 17.54 92.30 50.96 -65.64 -40.04 3.69 0.02 96.30 1.72 0.39 1.39 96.09 0.40 0.00 0.01 0.01 29 Q H H 99.85 2.45 15.36 18.14 92.27 51.42 -65.45 -40.49 2.13 0.01 97.86 0.81 0.24 0.92 97.68 0.35 0.00 0.00 0.00 30 K H H 111.30 2.70 15.38 18.54 92.29 50.79 -65.04 -40.57 1.92 0.01 98.07 0.66 0.18 0.92 97.90 0.34 0.00 0.00 0.00 31 L H H 88.57 2.36 15.36 17.92 92.03 50.85 -64.83 -41.02 1.23 0.01 98.76 0.41 0.12 0.58 98.62 0.27 0.00 0.00 0.00 32 F H H 111.23 2.31 15.37 17.86 92.13 49.90 -65.08 -41.40 1.06 0.01 98.93 0.31 0.10 0.54 98.76 0.28 0.00 0.00 0.00 33 F H H 108.25 3.00 14.95 18.64 92.35 50.19 -65.38 -41.05 1.12 0.01 98.87 0.29 0.11 0.61 98.70 0.27 0.00 0.00 0.00 34 Y H H 121.63 2.86 14.94 18.37 92.43 49.93 -65.53 -40.79 1.57 0.02 98.41 0.39 0.17 0.92 98.18 0.33 0.00 0.01 0.00 35 R H H 131.18 2.15 15.52 17.64 92.76 49.76 -66.12 -40.09 2.83 0.02 97.14 0.58 0.29 1.80 96.83 0.48 0.00 0.01 0.01 36 V H H 77.55 2.86 14.60 18.14 92.94 48.94 -66.92 -39.95 6.41 0.05 93.54 1.31 0.75 4.11 92.89 0.88 0.01 0.02 0.02 37 N H H 78.77 3.73 13.68 18.62 93.52 51.40 -67.79 -35.41 15.37 0.13 84.50 4.24 1.86 9.10 82.39 2.26 0.02 0.05 0.07 38 R H H 133.30 2.80 13.62 17.26 93.28 57.80 -66.14 -38.00 17.81 0.20 81.99 5.12 2.44 10.37 74.79 7.05 0.04 0.10 0.10 39 W H H 152.30 2.46 13.47 16.52 94.28 52.22 -69.71 -36.17 20.76 0.28 78.96 6.61 2.93 11.27 68.66 10.22 0.03 0.16 0.13 40 R H H 136.86 3.07 12.96 17.06 95.78 54.85 -71.71 -33.39 29.96 0.50 69.54 11.67 4.12 14.68 59.47 9.52 0.03 0.28 0.24 41 W H H 146.77 4.02 11.69 17.12 98.10 55.29 -76.81 -22.91 38.43 0.79 60.78 17.98 7.18 14.55 51.66 7.80 0.04 0.39 0.40 42 N C H 98.95 3.37 11.41 16.17 102.35 67.32 -81.91 7.73 52.10 0.90 47.00 29.72 8.83 13.96 41.66 4.97 0.02 0.42 0.43 43 T C H 86.14 3.65 10.64 15.83 103.11 85.99 -84.81 3.21 55.18 1.09 43.73 30.86 9.34 15.49 37.28 5.95 0.02 0.51 0.54 44 K C H 134.88 3.12 10.21 14.90 104.84 88.56 -82.69 27.85 56.60 1.10 42.29 27.97 12.86 16.83 34.41 6.82 0.03 0.48 0.59 45 D C C 98.89 3.56 10.58 15.74 103.68 107.98 -85.02 26.41 61.42 0.92 37.66 33.04 12.39 16.31 30.93 6.40 0.01 0.40 0.50 46 N C C 107.72 3.56 10.06 15.28 102.56 80.54 -88.84 18.15 64.05 0.91 35.03 35.84 12.94 15.48 28.00 6.82 0.01 0.38 0.53 47 T C C 89.82 3.56 10.54 15.74 106.49 99.16 -85.72 38.56 66.27 0.99 32.75 37.73 13.43 15.11 27.02 5.74 0.01 0.41 0.55 48 T C C 91.17 3.23 10.79 15.53 108.68 81.82 -89.92 87.95 64.83 0.92 34.26 37.51 17.64 9.84 29.90 4.25 0.01 0.33 0.52 49 A C C 58.74 5.07 10.26 17.06 111.08 56.51 -76.02 147.08 58.96 0.61 40.43 41.53 9.75 7.01 37.04 4.13 0.00 0.25 0.29 50 P C C 78.95 3.86 11.64 16.96 104.75 -92.56 -68.92 141.17 55.72 0.57 43.71 43.86 4.49 7.08 38.90 5.14 0.00 0.28 0.26 51 K H H 131.55 2.89 12.16 16.13 96.54 56.60 -68.38 -34.76 33.21 0.74 66.06 20.03 5.19 8.92 54.63 10.53 0.01 0.39 0.31 52 F H H 125.59 2.86 12.00 15.87 94.97 52.96 -69.29 -35.40 27.61 0.73 71.65 12.98 4.89 10.36 59.26 11.77 0.03 0.41 0.30 53 L H H 91.26 3.67 12.03 16.98 95.18 53.41 -68.75 -36.54 23.69 0.64 75.67 11.05 4.31 9.00 62.57 12.42 0.03 0.35 0.25 54 R H H 137.49 2.93 13.05 16.97 94.11 55.09 -67.05 -38.11 24.60 0.64 74.76 9.11 4.51 11.61 62.56 11.48 0.08 0.37 0.28 55 L H H 94.51 3.43 13.17 17.63 94.32 50.47 -70.11 -33.18 35.75 0.70 63.55 9.48 5.07 21.10 52.79 10.75 0.09 0.37 0.35 56 K H H 114.50 3.19 14.63 18.52 94.50 52.12 -69.92 -37.59 24.66 0.25 75.09 6.49 4.41 14.47 69.02 5.30 0.06 0.11 0.15 57 Y H H 113.55 4.10 14.92 19.91 94.06 53.92 -65.84 -41.10 8.42 0.05 91.54 3.67 1.70 3.21 89.66 1.71 0.00 0.02 0.02 58 P H H 65.78 4.72 14.77 20.74 92.87 50.68 -65.11 -39.82 4.30 0.04 95.66 1.64 0.51 2.15 93.76 1.89 0.01 0.02 0.02 59 L H H 95.16 2.95 15.77 19.19 92.64 50.11 -65.71 -40.58 2.12 0.03 97.86 0.71 0.26 1.13 96.16 1.72 0.00 0.02 0.01 60 L H H 93.53 2.78 16.74 19.58 92.63 49.51 -65.51 -41.17 2.57 0.05 97.38 0.80 0.32 1.45 96.33 1.06 0.01 0.03 0.01 61 V H H 72.50 4.58 16.12 21.53 92.60 48.69 -65.75 -41.61 2.56 0.05 97.39 0.69 0.33 1.50 96.96 0.47 0.01 0.02 0.01 62 T H H 63.00 5.14 16.00 22.27 92.43 50.54 -64.75 -41.39 2.06 0.02 97.92 0.49 0.23 1.25 97.69 0.32 0.00 0.01 0.01 63 G H H 36.73 3.15 17.55 20.89 92.41 50.30 -64.35 -41.98 2.03 0.01 97.96 0.33 0.18 1.40 97.72 0.36 0.00 0.00 0.00 64 V H H 78.52 3.02 18.03 21.00 92.40 49.25 -65.24 -41.81 0.98 0.01 99.02 0.19 0.09 0.59 98.81 0.31 0.00 0.00 0.00 65 C H H 53.01 5.70 15.94 23.05 92.31 50.60 -64.40 -41.65 1.13 0.02 98.85 0.24 0.10 0.69 98.49 0.47 0.00 0.01 0.00 66 L H H 84.30 4.30 17.04 22.12 91.92 49.94 -64.32 -41.69 1.41 0.03 98.56 0.23 0.12 0.96 98.05 0.62 0.00 0.02 0.00 67 F H H 117.93 2.52 17.64 19.94 91.96 50.15 -65.18 -40.93 2.79 0.07 97.15 0.46 0.26 1.95 96.36 0.90 0.01 0.05 0.01 68 A H H 52.52 4.07 16.31 21.25 92.23 51.15 -65.32 -40.91 6.89 0.14 92.96 1.43 0.78 4.68 91.52 1.44 0.02 0.08 0.05 69 Y H H 108.06 5.26 15.74 22.06 92.59 50.27 -66.06 -40.87 10.91 0.40 88.69 2.99 1.70 6.71 85.83 2.32 0.06 0.25 0.13 70 D H H 79.00 3.88 16.30 20.89 92.99 51.20 -65.91 -40.05 12.90 0.44 86.66 4.71 2.00 6.82 83.27 2.75 0.04 0.28 0.14 71 W H H 141.93 3.00 16.81 19.99 93.41 48.78 -67.47 -39.98 14.54 0.48 84.98 4.98 2.34 8.26 80.46 3.42 0.07 0.29 0.18 72 T H H 60.92 5.23 15.63 21.99 93.89 49.03 -67.87 -40.23 17.06 0.68 82.26 5.44 2.77 9.97 78.25 2.85 0.08 0.39 0.26 73 Y H H 113.19 4.18 15.93 20.93 93.24 50.92 -66.39 -40.13 22.96 0.74 76.30 5.93 4.36 13.98 71.56 3.31 0.15 0.40 0.30 74 G H H 33.22 3.84 15.45 20.38 93.36 51.18 -64.86 -40.08 24.48 0.54 74.98 7.48 3.89 14.06 70.30 3.68 0.07 0.31 0.21 75 F H H 103.55 3.56 14.94 19.40 92.77 50.57 -66.01 -40.93 14.38 0.73 84.89 6.47 2.59 6.52 79.29 4.36 0.05 0.54 0.19 76 T H H 67.56 3.51 14.18 18.75 93.04 50.37 -66.08 -40.36 12.92 1.16 85.92 6.70 2.33 5.09 80.62 4.04 0.04 0.95 0.23 77 Q H H 99.40 2.47 13.64 16.69 93.04 50.86 -66.13 -39.51 15.43 1.27 83.29 8.22 2.70 5.83 77.80 4.16 0.04 0.98 0.27 78 V H H 86.67 2.32 12.03 15.22 93.22 50.14 -66.82 -39.10 16.62 0.97 82.41 8.45 3.16 6.33 77.08 4.05 0.04 0.63 0.26 79 D H H 95.52 2.11 10.73 13.83 93.85 51.97 -69.71 -31.00 23.86 0.65 75.50 11.16 3.80 9.85 70.58 3.99 0.03 0.36 0.24 80 A H H 79.94 1.85 9.49 12.40 94.96 56.29 -73.42 -24.32 40.52 0.55 58.93 12.01 5.79 23.49 53.70 4.40 0.05 0.27 0.30 81 H C H 148.95 1.37 8.47 10.82 100.07 55.51 -85.85 -0.62 60.78 0.42 38.80 31.46 1.94 26.37 37.12 2.67 0.00 0.18 0.26 82 H C C 139.03 2.64 9.40 13.69 103.81 79.49 -86.61 51.63 99.93 0.02 0.05 99.79 0.07 0.10 0.03 0.00 0.00 0.01 0.00