# 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 100.64 7.62 12.87 21.45 108.67 -140.10 -82.58 115.38 99.65 0.12 0.23 99.40 0.17 0.17 0.16 0.02 0.00 0.05 0.03 1 L C C 104.54 4.39 11.99 17.67 104.46 -119.36 -76.88 -3.74 66.69 0.94 32.37 59.01 1.19 5.43 32.38 1.15 0.00 0.41 0.41 2 G C H 44.09 3.88 11.65 16.80 100.62 42.54 -62.86 -38.54 49.58 0.91 49.51 34.10 5.65 9.11 48.41 1.96 0.01 0.39 0.37 3 A H H 69.49 3.27 11.94 16.34 95.65 51.64 -67.53 -37.14 23.76 0.68 75.56 16.61 3.19 5.10 72.32 2.19 0.01 0.35 0.22 4 A H H 60.74 3.84 13.32 18.18 93.56 52.80 -66.40 -39.68 12.91 0.71 86.38 8.72 1.91 3.44 83.23 2.06 0.01 0.43 0.18 5 T H H 67.80 4.92 14.48 20.47 92.94 51.33 -66.57 -39.93 7.54 0.41 92.05 4.41 1.19 2.55 90.17 1.33 0.01 0.25 0.09 6 G H H 31.46 4.95 14.81 21.21 92.34 52.43 -64.77 -41.02 4.90 0.21 94.89 2.54 0.69 1.95 93.79 0.85 0.01 0.13 0.04 7 L H H 86.39 3.99 16.63 21.23 92.26 51.40 -65.09 -41.36 1.62 0.07 98.32 0.68 0.22 0.74 97.88 0.44 0.00 0.04 0.01 8 M H H 86.77 6.32 16.60 23.69 92.24 51.13 -65.10 -41.71 0.92 0.04 99.04 0.31 0.11 0.47 98.73 0.35 0.00 0.03 0.00 9 V H H 72.25 6.01 16.92 23.86 92.07 50.24 -64.91 -41.37 0.77 0.03 99.20 0.19 0.08 0.44 98.89 0.38 0.00 0.02 0.00 10 L H H 90.36 3.89 17.93 22.28 92.01 50.55 -64.76 -41.38 1.12 0.03 98.85 0.21 0.10 0.72 98.31 0.63 0.00 0.02 0.00 11 V H H 73.63 5.96 17.67 24.29 92.29 49.42 -65.78 -39.87 2.99 0.04 96.96 0.38 0.24 2.27 95.77 1.29 0.01 0.03 0.01 12 A H H 42.54 9.53 15.79 26.26 92.41 53.44 -66.74 -37.13 10.32 0.09 89.59 0.94 0.78 8.48 87.54 2.12 0.04 0.05 0.04 13 V H H 80.47 5.50 18.08 24.19 93.67 51.14 -71.05 -33.47 22.27 0.38 77.35 3.63 2.76 16.28 73.32 3.49 0.13 0.19 0.19 14 T H H 68.11 5.65 17.80 24.01 94.73 56.87 -69.04 -37.34 29.09 1.41 69.50 12.80 6.13 12.58 61.71 5.31 0.13 0.75 0.58 15 Q H H 71.95 9.45 16.47 26.59 94.49 54.80 -68.19 -36.39 27.24 1.46 71.30 13.42 4.57 11.12 61.74 7.62 0.10 0.91 0.52 16 G H H 29.85 8.52 15.91 25.47 93.59 57.18 -64.23 -39.88 19.42 1.29 79.29 7.53 3.50 8.99 61.88 16.67 0.16 0.89 0.38 17 V H H 81.97 3.75 18.55 22.48 92.98 51.42 -66.55 -37.97 16.87 1.59 81.54 4.98 2.96 9.08 62.90 18.24 0.30 1.16 0.40 18 W H H 113.62 7.35 16.79 25.13 93.42 48.87 -71.64 -29.32 20.95 2.08 76.97 6.22 3.73 11.36 59.00 17.28 0.38 1.42 0.62 19 A H H 35.75 12.94 12.45 25.94 93.24 66.89 -68.67 -25.35 41.69 2.30 56.01 14.01 7.13 21.96 43.47 10.74 0.30 1.30 1.10 20 M C T 124.28 3.62 16.31 20.66 97.07 54.87 -88.33 -4.94 65.25 2.59 32.16 19.88 13.81 32.69 23.52 7.27 0.14 1.21 1.48 21 D C C 64.12 6.83 10.26 19.16 110.14 104.65 -84.94 117.54 97.21 1.33 1.46 67.43 27.62 2.03 0.84 0.56 0.00 0.45 1.08 22 P C T 110.52 2.64 11.06 15.47 93.74 -152.90 -64.97 -20.71 94.41 0.43 5.17 17.47 14.27 62.44 0.92 4.42 0.00 0.24 0.23 23 E C T 156.08 0.97 12.60 13.13 96.90 59.57 -86.61 -3.26 93.82 0.83 5.34 16.85 17.47 59.28 0.91 4.61 0.00 0.45 0.43 24 G C C 26.93 10.15 9.03 19.91 121.99 124.85 -81.05 166.41 95.38 1.90 2.72 55.98 35.00 4.22 0.63 2.09 0.00 0.77 1.31 25 P C C 84.66 5.36 11.97 18.70 110.30 -88.04 -71.73 150.44 93.37 1.74 4.89 64.62 15.40 12.69 1.06 4.30 0.00 0.88 1.05 26 D C C 97.61 4.11 11.52 17.22 109.35 -119.59 -86.29 115.11 91.02 2.77 6.21 62.96 14.42 12.75 1.34 5.47 0.00 1.28 1.78 27 N C T 106.76 4.92 9.96 16.63 99.86 -153.68 -76.30 -11.38 88.78 1.21 10.02 27.42 17.99 43.28 1.58 8.47 0.00 0.58 0.68 28 D C T 114.19 1.87 11.14 14.03 99.72 68.99 -87.26 5.25 88.79 1.15 10.06 24.04 21.75 42.89 1.63 8.49 0.00 0.54 0.65 29 E C C 98.08 5.94 9.56 17.27 110.79 109.22 -83.91 123.83 86.65 2.68 10.67 54.42 23.73 7.71 2.59 8.48 0.00 1.11 1.96 30 R C T 155.56 3.40 12.28 17.20 96.48 -135.37 -74.18 -16.13 83.41 2.11 14.48 27.11 21.37 35.78 3.05 10.55 0.01 0.98 1.16 31 F C T 104.16 8.32 10.46 19.91 103.13 62.39 -95.74 21.21 78.30 8.05 13.65 29.91 18.07 32.02 3.12 9.44 0.05 4.27 3.12 32 T C C 76.59 5.75 13.49 20.79 114.93 114.94 -99.53 124.39 75.78 14.51 9.71 51.04 16.17 8.03 4.24 5.49 0.03 7.83 7.16 33 Y C C 98.44 10.18 10.54 21.79 121.11 -170.10 -107.47 139.24 80.31 12.68 7.01 51.03 22.93 6.17 4.31 2.86 0.02 6.53 6.15 34 D C C 75.84 4.61 14.97 20.85 107.87 -136.25 -89.93 104.02 92.37 2.47 5.16 84.34 5.05 2.96 4.07 1.15 0.00 1.23 1.19 35 Y H H 110.10 9.05 12.08 22.52 94.12 -171.94 -65.09 -34.94 10.32 0.10 89.58 3.74 1.74 5.52 86.45 2.44 0.01 0.05 0.05 36 Y H H 145.60 2.53 15.27 18.41 92.37 55.04 -65.55 -39.46 6.31 0.04 93.66 0.76 0.64 4.95 90.36 3.24 0.02 0.02 0.02 37 R H H 128.29 2.89 16.06 19.34 92.76 49.42 -67.36 -39.88 4.09 0.04 95.87 0.74 0.43 2.90 91.92 3.96 0.01 0.03 0.02 38 L H H 58.60 8.97 13.77 24.03 92.88 50.86 -65.85 -40.76 2.64 0.04 97.32 0.79 0.31 1.52 95.10 2.23 0.00 0.03 0.01 39 R H H 105.83 8.06 16.51 25.27 92.40 51.54 -65.00 -41.24 2.85 0.08 97.07 0.83 0.31 1.75 95.96 1.06 0.01 0.05 0.02 40 V H H 75.75 3.63 18.89 22.57 92.49 48.66 -65.41 -42.26 1.31 0.02 98.67 0.33 0.14 0.78 98.40 0.33 0.00 0.01 0.00 41 V H H 68.04 4.12 19.31 23.78 92.00 49.27 -64.81 -42.06 0.61 0.00 99.39 0.16 0.05 0.31 99.34 0.13 0.00 0.00 0.00 42 G H H 19.19 10.01 16.52 27.95 92.24 50.86 -63.96 -41.48 0.47 0.00 99.52 0.11 0.03 0.26 99.50 0.09 0.00 0.00 0.00 43 L H H 72.95 8.22 18.37 27.09 92.44 49.73 -65.27 -40.73 0.17 0.00 99.83 0.03 0.01 0.10 99.83 0.04 0.00 0.00 0.00 44 I H H 93.04 3.12 20.45 23.19 92.01 49.08 -64.84 -42.47 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 45 V H H 75.04 4.00 20.48 24.44 92.22 48.06 -65.10 -42.20 0.19 0.00 99.81 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 46 A H H 30.80 10.19 17.05 28.40 92.08 50.27 -64.53 -41.79 0.13 0.00 99.87 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 47 A H H 44.98 7.18 18.18 26.21 92.07 50.85 -64.41 -41.78 0.09 0.00 99.91 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 48 V H H 82.78 2.70 20.87 22.84 91.84 49.37 -64.48 -42.24 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 49 L H H 78.47 5.68 19.37 25.53 91.94 49.39 -64.73 -41.73 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 50 C H H 45.10 10.71 17.16 28.24 92.26 50.30 -64.65 -41.96 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 51 V H H 76.01 4.61 19.79 24.69 91.86 49.72 -64.25 -42.06 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 52 I H H 89.28 2.99 20.46 22.98 91.69 49.01 -64.72 -41.48 0.17 0.00 99.83 0.01 0.00 0.13 99.83 0.03 0.00 0.00 0.00 53 G H H 19.57 9.98 16.20 27.45 92.06 51.21 -64.16 -41.88 0.68 0.00 99.32 0.03 0.02 0.54 99.32 0.08 0.00 0.00 0.00 54 I H H 71.03 7.66 17.80 26.22 92.05 50.29 -64.43 -41.92 0.51 0.00 99.48 0.05 0.03 0.38 99.37 0.17 0.00 0.00 0.00 55 I H H 89.20 3.03 18.67 21.62 91.99 49.94 -64.53 -42.20 0.59 0.01 99.40 0.09 0.05 0.40 99.07 0.38 0.00 0.01 0.00 56 I H H 73.11 5.59 16.16 22.97 92.27 48.88 -65.44 -41.67 1.04 0.03 98.92 0.17 0.10 0.71 98.36 0.63 0.01 0.02 0.00 57 L H H 69.25 9.13 13.78 23.84 92.26 49.67 -65.37 -40.46 2.09 0.05 97.86 0.26 0.18 1.63 97.01 0.88 0.01 0.03 0.01 58 L H H 109.91 3.15 14.94 18.79 92.96 47.75 -69.54 -30.43 8.23 0.08 91.69 0.55 0.61 7.18 90.57 0.98 0.04 0.04 0.03 59 A H H 69.15 2.71 13.51 16.93 94.00 50.53 -83.31 -13.94 44.56 0.46 54.98 3.21 5.38 35.17 53.88 1.77 0.13 0.17 0.29 60 G C T 49.73 4.15 12.86 18.70 97.87 -118.97 76.88 9.71 86.42 1.16 12.42 17.64 19.21 50.00 8.42 3.56 0.01 0.59 0.58 61 K C C 127.32 3.61 14.94 19.81 115.10 114.27 -106.20 119.37 83.21 4.48 12.31 43.91 21.26 18.46 5.94 6.13 0.02 2.34 1.95 62 C C C 50.28 13.10 9.93 23.10 116.54 70.75 -101.28 129.09 80.83 7.28 11.89 55.90 13.94 10.54 6.07 6.07 0.02 4.21 3.25 63 R C C 145.91 3.99 16.38 21.37 112.96 -161.45 -98.35 124.98 74.96 9.34 15.70 46.17 17.22 11.51 9.13 6.80 0.06 5.22 3.88 64 C C C 49.16 10.54 10.74 22.30 111.77 -127.85 -85.58 125.57 68.78 6.78 24.44 40.03 15.25 13.56 13.87 10.68 0.08 3.75 2.77 65 K C H 125.72 3.98 14.01 19.11 97.98 -152.17 -70.97 -29.30 51.87 2.89 45.23 22.57 12.81 17.21 25.23 19.21 0.14 1.43 1.39 66 F C H 126.11 4.26 12.50 17.87 96.66 55.52 -73.40 -24.66 49.63 1.70 48.68 13.07 11.68 24.72 27.53 20.96 0.22 0.83 0.98 67 N C H 87.08 5.12 11.38 18.02 100.71 51.10 -87.08 7.46 52.38 1.61 46.01 21.80 11.25 20.03 27.24 17.92 0.08 0.74 0.94 68 Q C H 103.92 5.63 10.53 17.73 98.93 99.44 -75.61 -21.27 51.52 1.50 46.97 24.66 12.54 15.37 32.31 13.56 0.05 0.67 0.83 69 N C H 112.53 2.64 12.18 15.81 102.31 70.27 -82.03 13.65 55.21 2.06 42.73 27.26 12.50 16.18 28.73 13.27 0.05 1.04 0.98 70 K C C 133.17 4.09 10.60 16.35 105.68 85.12 -84.10 60.73 58.64 3.60 37.76 35.65 11.18 11.97 25.28 12.38 0.03 2.02 1.48 71 R C C 139.63 5.04 10.76 17.48 110.83 105.89 -90.48 122.83 67.91 5.88 26.21 46.02 13.61 7.83 19.09 7.66 0.03 3.46 2.29 72 T C C 84.15 4.99 11.09 17.76 112.70 -142.00 -90.22 132.11 72.27 8.78 18.95 55.23 9.01 6.85 14.60 5.28 0.02 5.33 3.67 73 R C C 138.10 5.52 10.26 17.45 113.48 -139.42 -88.78 131.72 77.81 7.91 14.28 54.70 12.49 9.54 10.68 4.29 0.01 4.61 3.68 74 S C C 74.64 4.17 9.95 15.73 107.35 -133.76 -84.88 109.29 84.29 4.66 11.05 50.92 15.72 17.69 6.44 4.50 0.01 2.64 2.08 75 N C C 116.70 2.58 9.64 13.71 106.13 -117.62 -86.00 32.38 86.91 2.73 10.36 33.67 25.75 28.33 3.98 5.62 0.01 1.29 1.35 76 S C T 86.19 2.13 10.03 13.25 103.01 58.63 -87.29 6.59 88.57 1.11 10.33 20.25 30.26 38.78 3.52 5.99 0.00 0.51 0.69 77 G C S 46.01 3.76 10.78 15.92 107.24 19.23 69.91 -6.75 84.91 2.02 13.06 30.53 31.30 24.04 4.95 7.08 0.01 0.89 1.20 78 T C C 85.27 4.59 9.77 15.84 100.17 79.99 -75.85 -22.99 60.49 3.35 36.15 32.81 12.80 15.72 14.70 20.62 0.03 1.72 1.59 79 A C C 77.62 3.10 10.84 15.35 98.20 63.14 -74.34 -22.56 55.28 4.85 39.87 25.59 11.60 19.41 16.51 22.19 0.07 2.87 1.76 80 T C C 96.55 2.79 11.80 15.72 101.01 57.96 -88.57 -0.52 55.16 6.66 38.17 29.68 11.11 15.63 16.44 20.78 0.07 4.22 2.07 81 A C C 56.50 8.11 9.16 18.51 111.39 105.58 -82.98 133.45 69.98 8.68 21.34 50.31 13.76 5.98 13.54 7.86 0.02 5.92 2.61 82 Q C C 125.77 3.03 13.47 17.84 113.50 -145.31 -92.95 128.37 72.62 14.86 12.51 57.75 9.78 4.21 8.61 4.36 0.02 10.70 4.57 83 H C C 113.26 8.03 11.23 20.54 113.45 -120.29 -78.89 132.01 72.60 18.84 8.56 62.94 4.98 3.59 5.28 3.41 0.01 11.91 7.88 84 L C C 99.97 6.31 13.47 20.96 99.26 -154.01 -81.19 -25.07 86.60 5.88 7.52 39.50 35.83 11.96 3.33 3.85 0.02 3.34 2.17 85 L C C 74.32 9.22 10.34 20.75 121.61 42.64 -115.73 131.73 83.34 9.92 6.73 40.55 33.46 9.62 2.99 3.36 0.03 3.80 6.20 86 Q C C 113.87 3.12 13.56 17.94 118.27 -149.85 -95.50 142.76 96.11 2.46 1.42 74.72 19.51 1.73 0.74 0.66 0.00 1.04 1.60 87 P C T 100.75 4.15 10.90 16.94 109.04 -99.13 -60.92 139.20 81.36 1.16 17.48 13.64 10.85 56.62 6.64 10.90 0.01 0.63 0.70 88 G C T 57.81 1.94 13.10 15.61 97.67 20.17 83.08 -4.18 79.69 1.25 19.05 13.10 11.72 54.62 7.79 11.30 0.01 0.70 0.75 89 E C C 107.02 4.58 11.72 17.75 101.96 93.80 -82.35 -10.70 70.84 4.10 25.07 43.88 14.30 12.66 9.45 15.50 0.01 1.98 2.22 90 A C C 58.74 8.31 8.86 18.08 102.90 78.89 -80.51 0.87 68.51 5.17 26.32 39.19 14.46 15.58 10.92 14.76 0.03 2.71 2.35 91 T C C 99.91 2.94 10.71 15.02 103.49 89.89 -88.93 3.70 71.30 5.94 22.75 34.92 19.00 18.98 7.91 13.61 0.05 3.33 2.20 92 E C C 144.33 2.00 10.99 14.19 106.87 64.50 -91.82 57.24 79.42 5.25 15.34 60.39 5.71 14.30 5.89 8.23 0.00 3.28 2.21 93 C C C 77.88 7.35 9.99 18.57 108.02 118.76 -89.23 99.56 99.72 0.20 0.07 99.50 0.19 0.13 0.03 0.01 0.00 0.11 0.03