# 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 71.91 5.49 11.20 18.08 114.08 -124.84 -79.05 141.44 99.88 0.07 0.05 99.77 0.09 0.07 0.03 0.00 0.00 0.03 0.01 1 R C C 166.32 2.51 9.83 14.10 113.02 -140.39 -92.41 127.80 85.80 6.18 8.01 82.05 1.41 2.51 7.34 0.93 0.00 3.13 2.63 2 R C C 156.70 3.31 8.98 14.37 116.00 -146.94 -94.04 133.16 80.82 7.93 11.25 68.15 8.50 3.27 11.04 1.57 0.00 4.23 3.24 3 T C C 66.96 4.99 9.34 16.21 118.91 -152.57 -92.14 160.02 79.46 3.67 16.87 69.51 5.99 2.60 17.62 1.24 0.00 1.84 1.21 4 W H H 182.81 1.82 12.72 15.12 93.65 -112.74 -63.02 -36.00 13.51 0.47 86.02 7.29 3.07 4.45 82.77 1.99 0.02 0.24 0.17 5 L H H 84.59 5.05 12.52 18.96 92.98 52.78 -65.87 -39.54 6.64 0.14 93.22 2.07 1.05 3.89 90.17 2.65 0.05 0.08 0.05 6 G H H 22.39 7.75 11.62 21.43 92.42 52.89 -63.68 -40.30 4.00 0.07 95.92 1.15 0.55 2.41 92.54 3.26 0.02 0.05 0.02 7 D H H 91.19 2.43 15.36 18.13 92.98 51.10 -67.76 -36.88 4.20 0.06 95.74 0.88 0.50 2.82 91.62 4.11 0.02 0.03 0.02 8 I H H 94.98 3.41 15.14 19.21 93.86 48.63 -69.58 -37.66 11.00 0.07 88.93 0.84 0.87 9.45 85.00 3.70 0.07 0.03 0.04 9 L H H 67.13 8.77 12.96 22.91 95.41 49.09 -77.37 -27.81 17.43 0.07 82.49 1.61 2.03 14.09 79.65 2.48 0.06 0.03 0.06 10 R H H 125.37 5.40 14.61 21.52 93.68 70.62 -62.06 -42.54 14.03 0.14 85.83 3.48 1.69 7.70 55.82 31.15 0.02 0.08 0.05 11 P H H 78.64 2.41 16.48 18.71 92.98 49.51 -66.06 -36.56 12.91 0.14 86.95 2.69 1.26 7.39 55.92 32.59 0.01 0.09 0.04 12 L H H 71.82 6.17 14.03 21.68 93.47 51.26 -67.71 -37.12 11.26 0.19 88.55 2.81 1.54 6.07 57.15 32.24 0.03 0.11 0.06 13 N H H 62.57 8.42 12.58 22.47 93.32 53.61 -66.85 -35.82 25.47 0.89 73.63 11.97 4.66 9.76 55.76 16.94 0.06 0.47 0.39 14 S H H 69.37 2.59 14.30 17.49 93.21 58.34 -67.25 -34.15 31.72 0.87 67.40 8.34 4.78 17.57 43.79 24.52 0.13 0.47 0.40 15 E H H 125.68 2.54 13.33 16.65 95.37 54.71 -74.26 -21.78 37.00 1.52 61.48 8.84 5.42 21.29 38.79 23.90 0.22 0.85 0.69 16 Y C T 128.75 6.11 10.09 17.66 100.70 63.95 -80.96 3.88 57.19 1.60 41.21 8.40 9.44 37.41 24.03 18.58 0.22 0.82 1.09 17 G C T 54.40 2.89 12.90 17.04 100.81 -35.32 69.22 5.07 80.63 1.55 17.82 17.96 12.24 50.70 10.28 7.16 0.02 0.85 0.79 18 K C C 137.74 3.06 12.17 16.73 106.43 105.03 -91.83 37.95 78.80 10.20 11.01 48.01 15.58 15.30 5.75 5.29 0.03 6.35 3.70 19 V C C 91.25 5.51 9.86 17.09 112.79 84.49 -95.03 122.62 74.86 19.72 5.43 49.06 19.56 5.62 3.47 2.30 0.03 9.98 9.98 20 A C C 66.40 4.30 10.68 16.74 116.53 -121.48 -97.76 139.72 86.44 11.55 2.00 60.43 21.54 4.57 0.88 1.22 0.00 7.93 3.42 21 P C C 102.67 2.79 11.62 15.83 109.44 -101.13 -69.44 141.38 90.74 3.68 5.58 35.86 23.10 32.55 1.46 3.74 0.00 2.16 1.14 22 G C C 54.42 2.61 11.39 15.33 109.02 21.23 88.14 4.07 87.40 4.19 8.41 35.70 22.33 30.29 2.31 5.49 0.01 2.16 1.71 23 W C C 172.19 3.48 10.26 15.22 104.62 35.01 -87.72 22.80 77.23 6.49 16.28 30.36 21.07 27.27 5.30 9.67 0.06 3.08 3.19 24 G C C 45.01 4.29 12.42 17.99 109.06 3.61 69.32 -3.31 78.52 6.12 15.35 31.74 22.17 26.09 5.94 8.30 0.05 3.03 2.69 25 T C C 71.09 6.01 11.46 18.99 102.93 83.70 -87.80 0.03 70.63 4.73 24.64 46.53 14.46 9.73 17.38 7.13 0.04 2.11 2.63 26 T H H 74.98 4.49 12.54 18.53 96.19 86.35 -65.85 -40.72 21.08 0.46 78.46 11.59 6.75 3.85 76.19 1.29 0.01 0.16 0.17 27 P H H 90.62 1.81 14.59 16.17 93.34 50.77 -65.47 -37.99 9.41 0.30 90.29 3.98 1.52 4.38 88.20 1.64 0.02 0.17 0.09 28 L H H 92.00 2.93 13.88 17.58 92.86 49.47 -67.06 -39.89 5.28 0.36 94.36 2.51 0.72 2.34 92.60 1.49 0.01 0.25 0.08 29 M H H 77.52 6.16 12.55 20.40 92.49 51.57 -65.32 -40.24 2.08 0.11 97.81 1.14 0.27 0.74 97.24 0.52 0.00 0.07 0.02 30 A H H 59.12 2.71 14.75 18.11 92.21 51.63 -64.32 -40.93 1.23 0.08 98.70 0.60 0.13 0.49 98.50 0.22 0.00 0.06 0.01 31 V H H 91.25 1.53 15.84 16.51 92.30 49.57 -65.20 -41.24 0.65 0.05 99.30 0.25 0.06 0.29 99.21 0.14 0.00 0.05 0.00 32 F H H 103.62 3.66 14.68 19.34 92.31 49.52 -65.59 -40.99 0.45 0.03 99.52 0.19 0.04 0.20 99.46 0.09 0.00 0.03 0.00 33 M H H 91.21 4.21 14.44 19.83 92.27 50.70 -64.80 -40.42 0.41 0.01 99.58 0.11 0.03 0.21 99.58 0.06 0.00 0.01 0.00 34 G H H 39.23 1.98 15.46 17.31 91.79 51.02 -63.68 -40.98 0.33 0.00 99.66 0.08 0.02 0.18 99.66 0.05 0.00 0.00 0.00 35 L H H 95.51 1.96 15.59 17.28 91.91 50.16 -64.86 -40.87 0.27 0.00 99.73 0.04 0.01 0.17 99.72 0.06 0.00 0.00 0.00 36 F H H 103.44 4.00 14.37 19.49 92.17 50.17 -65.08 -40.78 0.25 0.00 99.75 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 37 L H H 89.98 2.89 14.93 18.40 91.98 50.76 -64.22 -40.84 0.27 0.00 99.72 0.03 0.01 0.18 99.70 0.07 0.00 0.00 0.00 38 V H H 87.42 1.70 15.82 16.89 91.83 50.14 -64.11 -41.73 0.27 0.00 99.73 0.03 0.01 0.19 99.71 0.06 0.00 0.00 0.00 39 F H H 111.49 2.73 15.18 18.38 91.96 49.88 -65.05 -40.86 0.30 0.00 99.70 0.04 0.01 0.19 99.68 0.07 0.00 0.00 0.00 40 L H H 83.84 3.91 14.51 19.40 91.94 50.84 -64.66 -40.72 0.19 0.00 99.81 0.02 0.01 0.12 99.79 0.06 0.00 0.00 0.00 41 L H H 89.52 2.51 15.50 18.28 92.01 50.78 -64.57 -40.89 0.23 0.00 99.77 0.03 0.01 0.15 99.74 0.07 0.00 0.00 0.00 42 I H H 91.56 2.28 15.87 18.09 92.06 49.76 -64.57 -41.82 0.33 0.00 99.66 0.04 0.02 0.22 99.65 0.07 0.00 0.00 0.00 43 I H H 85.03 3.33 15.19 19.31 92.10 49.55 -64.68 -41.56 0.33 0.00 99.67 0.05 0.02 0.21 99.63 0.10 0.00 0.00 0.00 44 L H H 80.90 3.76 14.56 19.36 91.96 50.66 -64.31 -41.26 0.41 0.00 99.59 0.05 0.02 0.26 99.40 0.26 0.00 0.00 0.00 45 E H H 105.04 2.63 14.87 18.07 92.07 50.53 -64.63 -40.25 1.05 0.01 98.94 0.11 0.06 0.79 98.55 0.48 0.00 0.01 0.00 46 I H H 97.95 2.23 14.86 17.27 92.80 48.67 -65.76 -40.94 2.65 0.02 97.33 0.27 0.18 2.04 96.75 0.73 0.00 0.01 0.00 47 Y H H 132.18 2.78 13.94 17.28 93.18 48.01 -68.01 -37.14 8.26 0.08 91.66 1.20 0.91 6.08 90.67 1.04 0.02 0.03 0.03 48 N H H 86.06 4.02 12.44 17.87 95.77 50.33 -82.80 -16.10 29.81 0.42 69.76 7.43 3.92 18.95 67.00 2.24 0.05 0.18 0.23 49 S H H 64.73 3.48 12.17 16.98 96.16 73.94 -73.87 -24.94 45.16 0.89 53.95 14.16 8.90 23.53 47.17 5.27 0.09 0.41 0.47 50 T H H 80.05 3.22 11.55 16.06 97.75 70.24 -76.58 -24.19 43.87 1.75 54.39 17.48 9.08 19.00 43.38 9.24 0.13 0.92 0.78 51 L H H 109.65 2.61 10.44 14.35 96.30 71.14 -71.71 -27.42 38.16 3.96 57.87 15.02 8.68 15.80 41.64 14.74 0.36 2.49 1.27 52 I H H 119.15 2.24 10.42 13.76 99.53 54.51 -77.45 -24.85 37.68 9.08 53.23 15.48 8.06 15.57 37.24 14.20 0.89 6.28 2.27 53 L H H 112.65 3.00 8.98 13.52 102.90 60.33 -82.36 4.87 42.03 10.73 47.25 16.51 10.02 17.32 31.49 13.40 1.28 6.61 3.37 54 D C T 112.35 1.96 9.54 12.85 104.20 79.70 -83.19 72.26 72.03 2.59 25.38 11.65 10.24 48.62 17.83 8.70 0.13 1.52 1.31 55 G C T 64.35 0.87 11.19 12.07 99.02 -43.76 77.87 7.41 91.02 1.54 7.44 19.48 14.17 57.99 3.24 3.61 0.00 0.96 0.54 56 V C C 85.26 5.21 7.26 14.49 115.90 135.45 -93.81 132.93 88.89 8.99 2.11 74.83 11.12 2.56 1.19 0.98 0.00 5.57 3.74 57 N C C 131.39 1.05 12.59 13.76 112.24 -142.45 -94.64 119.98 88.84 9.68 1.47 82.51 4.22 1.99 0.70 0.65 0.00 7.22 2.70 58 V C C 81.35 8.64 7.26 16.91 118.74 -170.49 -108.59 132.17 89.91 7.76 2.33 81.28 6.65 1.94 1.41 0.87 0.00 5.06 2.79 59 S C C 70.07 2.48 12.03 15.61 116.93 -162.37 -106.73 128.29 93.14 3.31 3.54 86.86 4.24 2.26 2.28 1.02 0.00 1.82 1.51 60 W H G 165.30 5.03 8.72 15.57 95.06 -152.24 -68.16 -27.64 39.55 1.27 59.17 16.25 6.77 16.97 23.20 35.56 0.02 0.72 0.51 61 K H G 160.86 1.01 10.77 12.04 94.51 62.90 -70.87 -25.10 34.75 0.84 64.41 8.01 5.55 20.64 23.79 41.14 0.03 0.48 0.35 62 A H G 79.76 2.24 8.66 12.27 97.55 60.96 -78.91 -14.00 33.43 1.41 65.16 11.03 6.09 16.85 21.93 42.72 0.03 0.84 0.51 63 L C C 112.69 3.72 7.34 12.73 101.79 69.12 -84.61 3.23 55.79 2.00 42.21 37.89 4.00 15.63 19.81 20.50 0.01 1.09 1.08 64 G C C 54.13 2.45 12.16 15.87 107.83 -122.06 78.50 43.79 99.86 0.09 0.05 99.56 0.18 0.17 0.03 0.01 0.00 0.05 0.02