# 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 70.72 6.47 11.96 19.55 109.31 -145.77 -85.68 109.77 99.90 0.09 0.01 99.84 0.08 0.02 0.00 0.00 0.00 0.04 0.01 1 A C C 75.56 4.11 10.19 15.96 114.80 -157.58 -94.60 134.73 92.39 7.11 0.49 91.48 0.95 0.61 0.21 0.16 0.00 4.17 2.42 2 T C C 97.78 3.69 9.47 15.17 113.86 -128.89 -86.72 131.11 91.41 7.75 0.83 83.62 6.22 1.58 0.29 0.50 0.00 5.52 2.26 3 T C C 95.10 3.89 10.46 16.32 116.81 -152.92 -102.01 128.07 94.92 4.09 0.99 83.81 9.77 1.40 0.36 0.59 0.00 2.60 1.48 4 P C C 87.17 5.89 10.03 17.56 113.19 -138.37 -82.02 140.53 93.13 2.32 4.54 75.87 12.10 5.11 1.15 3.44 0.00 1.47 0.87 5 L C C 103.95 5.64 11.54 18.70 113.10 -136.54 -89.22 132.36 89.32 2.18 8.50 56.51 21.73 10.92 1.66 7.05 0.00 1.19 0.92 6 E C C 139.44 2.71 15.30 19.05 114.38 -127.01 -92.34 132.81 89.65 2.67 7.68 62.83 16.89 9.63 1.64 6.32 0.00 1.51 1.18 7 W C C 85.68 16.22 8.56 23.65 114.88 -130.74 -88.78 131.80 93.45 2.56 3.98 77.64 12.92 2.42 1.82 2.01 0.00 0.91 2.29 8 S C C 51.77 4.13 16.71 21.48 124.53 -156.26 -97.21 163.77 98.23 0.38 1.38 93.35 4.38 0.43 1.32 0.14 0.00 0.11 0.27 9 P H H 96.35 4.23 13.50 19.34 91.98 -101.77 -60.00 -34.41 16.42 0.04 83.55 1.45 1.79 12.62 83.21 0.88 0.02 0.01 0.02 10 T H H 92.70 1.86 17.83 19.09 92.32 53.17 -65.97 -39.05 10.98 0.04 88.98 0.96 1.01 8.76 88.53 0.68 0.02 0.01 0.03 11 V H H 36.56 11.82 15.45 28.39 92.76 48.93 -66.46 -41.22 1.74 0.01 98.25 0.40 0.20 0.97 98.20 0.23 0.00 0.00 0.00 12 G H H 12.65 15.11 14.59 30.43 91.42 53.53 -62.61 -42.13 0.34 0.00 99.65 0.11 0.02 0.14 99.67 0.05 0.00 0.00 0.00 13 I H H 96.83 2.96 21.43 23.76 91.54 50.05 -64.14 -41.40 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 14 I H H 80.54 4.86 21.32 26.28 91.74 49.20 -64.44 -42.60 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 15 M H H 26.93 18.70 17.08 35.66 92.14 49.53 -64.83 -42.26 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 16 V H H 56.05 11.38 20.13 31.69 91.59 50.15 -63.51 -42.31 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 17 I H H 100.51 1.99 24.51 24.51 91.45 48.83 -64.11 -41.93 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 18 A H H 29.83 9.77 19.90 30.72 91.67 49.76 -64.40 -41.87 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 19 N H H 20.94 19.40 16.94 36.02 91.79 50.99 -64.29 -41.70 0.25 0.00 99.75 0.02 0.01 0.16 99.79 0.01 0.00 0.00 0.00 20 V H H 76.07 5.41 22.46 28.02 91.42 50.38 -63.99 -42.06 0.17 0.00 99.83 0.01 0.01 0.12 99.85 0.01 0.00 0.00 0.00 21 I H H 96.40 2.35 24.00 24.80 91.49 48.93 -64.25 -42.63 0.14 0.00 99.86 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 22 A H H 18.98 13.97 17.46 32.48 91.76 50.25 -64.08 -42.42 0.17 0.00 99.83 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 23 I H H 51.77 13.97 18.32 32.20 91.77 49.70 -64.18 -42.09 0.22 0.00 99.78 0.02 0.01 0.17 99.71 0.10 0.00 0.00 0.00 24 T H H 76.10 2.44 22.30 23.60 91.50 49.95 -63.79 -42.25 0.53 0.00 99.47 0.03 0.02 0.45 99.32 0.18 0.00 0.00 0.00 25 F H H 101.22 4.05 20.90 24.87 91.99 48.05 -65.17 -41.39 1.33 0.00 98.67 0.07 0.06 1.11 98.39 0.36 0.00 0.00 0.00 26 G H H 9.37 16.31 14.17 31.27 91.91 52.51 -63.90 -41.60 2.92 0.01 97.07 0.24 0.19 2.30 95.55 1.71 0.01 0.00 0.00 27 R H H 108.58 8.85 17.86 27.37 91.69 52.45 -64.13 -38.15 5.89 0.02 94.09 0.42 0.37 4.98 90.39 3.79 0.02 0.01 0.01 28 Q H H 113.58 2.07 19.66 20.85 92.46 52.07 -67.89 -35.09 11.00 0.06 88.94 0.84 0.88 9.15 84.74 4.27 0.06 0.03 0.04 29 T H H 57.74 8.13 15.38 24.59 94.80 50.77 -76.61 -29.12 25.41 0.32 74.27 2.84 3.00 19.96 69.65 4.03 0.17 0.14 0.21 30 I C H 52.50 15.39 10.55 25.34 105.97 72.06 -84.00 64.93 54.63 3.22 42.15 19.82 11.28 25.77 35.35 4.42 0.27 1.29 1.79 31 K C C 146.85 2.53 15.94 19.22 96.59 118.96 -73.79 -28.60 76.49 2.26 21.26 30.45 20.05 26.67 16.48 4.15 0.04 0.93 1.25 32 Y C C 132.03 3.56 13.37 18.27 109.11 37.69 -122.95 78.19 98.25 0.91 0.84 60.27 36.50 1.47 0.44 0.31 0.00 0.27 0.74 33 P C T 74.62 10.17 9.62 20.67 97.13 173.83 -65.04 -23.11 95.87 0.50 3.63 19.49 7.52 68.81 0.56 3.10 0.00 0.28 0.25 34 S C T 96.10 1.16 13.75 14.59 97.22 54.07 -86.58 2.15 96.31 0.49 3.21 14.15 10.19 71.59 0.40 3.15 0.00 0.28 0.24 35 A C C 56.38 6.39 10.09 18.34 117.17 108.63 -85.87 143.12 94.01 1.81 4.18 52.71 35.88 5.17 0.88 3.17 0.00 0.62 1.56 36 E C C 138.09 2.94 12.76 17.42 116.59 -113.00 -84.64 139.67 97.27 1.61 1.13 69.67 25.12 2.39 0.33 0.76 0.00 0.66 1.07 37 P C C 71.51 9.61 10.34 20.83 113.70 -103.60 -69.89 148.75 96.72 1.27 2.01 80.14 11.10 5.35 0.54 1.50 0.00 0.62 0.76 38 A C C 81.83 2.91 14.51 18.58 112.40 -118.53 -80.79 140.11 95.18 3.07 1.75 75.80 15.25 3.67 0.55 1.21 0.00 1.25 2.27 39 L C C 86.25 9.49 9.54 20.04 115.85 -122.40 -88.13 136.08 96.15 3.02 0.83 76.67 18.40 1.09 0.35 0.44 0.00 1.25 1.81 40 P C C 79.99 5.36 12.30 19.27 110.84 -106.85 -68.27 147.63 91.88 3.23 4.89 71.03 12.91 7.53 1.47 3.51 0.00 1.60 1.96 41 S C C 73.73 4.07 11.38 17.11 111.47 -119.00 -92.39 126.06 89.28 3.40 7.32 65.41 14.42 8.65 2.38 5.15 0.00 1.46 2.53 42 A C C 64.55 6.64 9.03 17.10 103.95 -138.95 -79.31 16.85 67.03 1.92 31.05 31.61 15.31 20.99 6.59 23.44 0.01 0.86 1.18 43 K C G 156.99 1.82 11.51 14.35 100.82 84.33 -77.08 -14.05 61.15 1.56 37.29 21.45 14.14 26.63 7.42 28.64 0.02 0.74 0.97 44 F C G 145.11 3.10 10.30 14.77 102.84 58.72 -83.78 -8.23 58.53 2.60 38.87 19.42 14.94 25.63 7.31 29.89 0.04 1.30 1.47 45 F C T 130.35 5.02 10.05 16.48 103.03 32.14 -96.14 31.41 68.71 4.34 26.95 22.17 18.04 29.73 6.48 18.79 0.07 1.96 2.78 46 G C T 51.55 3.68 14.21 19.04 105.00 -108.20 61.97 26.44 86.50 2.33 11.16 21.17 22.84 42.96 2.51 8.05 0.01 1.10 1.36 47 G C C 41.23 6.65 15.25 22.77 110.68 -66.46 90.70 -5.24 91.42 3.48 5.10 33.24 32.69 25.96 1.21 3.59 0.00 1.69 1.62 48 F C C 68.45 14.95 12.61 27.44 118.45 121.58 -96.84 135.49 84.26 13.79 1.95 68.26 12.49 1.98 1.20 0.76 0.00 4.59 10.73 49 G C C 23.49 8.73 19.37 28.80 125.75 -146.98 -92.09 170.23 89.40 6.05 4.56 78.51 8.60 1.12 4.88 0.42 0.00 1.51 4.96 50 A H H 51.77 11.63 18.60 30.35 92.73 -96.08 -61.11 -38.33 1.97 0.01 98.02 0.47 0.33 1.01 97.90 0.29 0.00 0.00 0.00 51 P H H 59.83 9.01 21.29 30.80 91.78 53.18 -63.98 -39.60 0.74 0.00 99.26 0.13 0.06 0.47 99.05 0.29 0.00 0.00 0.00 52 A H H 25.76 13.85 20.14 34.24 91.88 51.07 -64.88 -40.63 0.17 0.00 99.83 0.03 0.01 0.10 99.63 0.23 0.00 0.00 0.00 53 L H H 42.60 15.92 21.52 36.70 91.47 50.01 -63.87 -42.45 0.10 0.00 99.90 0.01 0.00 0.06 99.81 0.11 0.00 0.00 0.00 54 L H H 63.00 11.47 24.46 35.80 91.69 49.08 -64.23 -42.07 0.17 0.00 99.83 0.02 0.01 0.11 99.79 0.07 0.00 0.00 0.00 55 A H H 33.74 11.09 23.81 35.29 91.55 50.39 -64.27 -41.71 0.47 0.00 99.53 0.04 0.02 0.35 99.42 0.17 0.00 0.00 0.00 56 T H H 30.77 15.34 23.92 38.79 92.17 49.34 -65.99 -41.39 1.77 0.00 98.23 0.11 0.08 1.50 97.90 0.40 0.00 0.00 0.00 57 T H H 37.37 15.41 24.92 39.49 92.60 49.83 -66.01 -40.81 6.66 0.01 93.33 0.30 0.34 5.87 92.83 0.65 0.01 0.00 0.00 58 A H H 31.39 13.36 24.86 38.04 92.82 51.01 -65.83 -41.20 11.79 0.07 88.14 1.22 1.13 9.23 87.35 0.97 0.03 0.03 0.04 59 F H H 71.18 11.23 26.57 37.94 92.20 50.35 -64.59 -41.70 4.69 0.04 95.27 0.91 0.73 3.08 94.34 0.88 0.02 0.02 0.02 60 G H H 13.72 15.88 23.18 38.84 91.62 51.64 -63.61 -41.96 3.24 0.02 96.74 0.69 0.38 2.14 95.86 0.90 0.01 0.01 0.01 61 H H H 54.80 16.29 24.07 39.16 91.91 50.92 -64.88 -41.63 2.48 0.04 97.48 0.55 0.28 1.72 96.43 0.97 0.01 0.02 0.01 62 I H H 66.43 11.09 25.67 36.81 92.00 48.96 -64.34 -42.58 1.56 0.04 98.40 0.33 0.18 1.06 97.69 0.70 0.01 0.02 0.01 63 L H H 61.71 10.41 25.94 36.18 91.74 48.30 -64.51 -42.59 1.92 0.03 98.05 0.35 0.18 1.33 97.46 0.64 0.00 0.02 0.01 64 G H H 10.97 16.56 21.64 38.23 91.81 50.22 -64.41 -42.10 3.25 0.02 96.74 0.54 0.29 2.21 96.30 0.63 0.00 0.01 0.01 65 V H H 38.84 14.15 22.60 36.64 91.86 50.83 -63.45 -42.73 1.78 0.02 98.20 0.34 0.19 1.14 97.66 0.66 0.01 0.01 0.00 66 G H H 24.68 8.95 21.87 31.35 91.84 51.02 -63.69 -41.86 1.85 0.02 98.12 0.37 0.18 1.21 97.14 1.08 0.01 0.02 0.00 67 L H H 65.63 9.63 21.12 30.77 92.24 49.37 -65.60 -41.13 2.30 0.04 97.67 0.32 0.20 1.69 96.19 1.56 0.01 0.02 0.01 68 V H H 47.24 14.25 18.46 32.46 93.16 47.66 -67.30 -39.10 5.07 0.07 94.86 0.45 0.42 4.22 93.50 1.34 0.03 0.03 0.02 69 L H H 72.57 9.66 16.97 27.27 94.17 49.11 -76.86 -18.79 32.14 0.32 67.55 1.51 2.15 28.50 65.61 1.82 0.12 0.14 0.16 70 G C T 43.15 5.99 16.14 23.01 98.98 -102.19 59.64 4.27 67.24 0.57 32.19 7.87 4.50 52.24 32.77 2.08 0.02 0.25 0.27 71 L C C 91.09 7.31 12.55 21.08 98.16 92.44 -79.78 -15.34 73.95 3.30 22.74 34.39 13.37 26.70 18.85 3.57 0.04 1.49 1.58 72 H C C 118.67 5.46 11.42 18.38 106.59 62.41 -92.76 47.36 84.46 2.82 12.72 59.53 4.15 20.44 10.56 2.31 0.00 1.59 1.42 73 N C C 112.92 3.92 12.86 18.43 106.32 -144.05 -86.29 76.33 99.92 0.06 0.02 99.76 0.12 0.07 0.01 0.00 0.00 0.03 0.01