# 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 109.70 4.78 10.71 17.04 113.16 -156.92 -93.51 123.63 99.78 0.13 0.09 99.70 0.09 0.07 0.06 0.01 0.00 0.06 0.02 1 H C C 130.64 2.79 8.21 12.55 104.71 -150.80 -83.56 33.89 69.12 2.98 27.89 63.84 1.47 5.00 23.53 3.32 0.00 1.75 1.09 2 R H H 172.76 1.30 8.31 10.53 99.50 72.16 -74.86 -28.61 44.84 3.82 51.34 28.45 7.59 10.18 39.59 10.52 0.05 2.53 1.10 3 I H H 124.60 1.69 8.18 11.01 97.53 63.14 -73.97 -26.88 34.21 3.93 61.86 18.65 6.45 9.86 44.06 17.16 0.09 2.79 0.93 4 W H H 166.93 2.94 7.75 12.27 101.46 56.10 -85.99 -7.63 32.17 3.20 64.63 18.44 5.28 8.95 45.27 18.98 0.07 2.19 0.82 5 M H H 131.43 2.26 8.64 12.43 104.45 78.52 -81.04 13.57 39.91 2.20 57.89 16.59 7.07 17.18 44.15 12.67 0.13 1.34 0.85 6 G C T 57.77 1.56 10.59 12.81 103.82 28.69 -67.22 -3.78 59.77 1.16 39.07 16.68 11.40 32.40 30.20 8.06 0.08 0.55 0.62 7 T C S 90.84 3.35 9.05 14.09 110.81 81.17 -91.69 116.28 73.74 1.53 24.73 26.58 27.49 20.25 20.04 4.07 0.04 0.54 0.99 8 D C C 83.33 3.51 11.00 16.06 108.97 -112.90 -92.77 111.42 95.85 0.30 3.85 86.99 7.22 1.22 4.01 0.30 0.00 0.10 0.16 9 P H H 80.48 4.89 10.50 17.43 94.08 -155.73 -61.95 -32.79 14.64 0.08 85.28 7.05 1.65 5.78 83.59 1.84 0.00 0.03 0.04 10 H H H 129.02 1.99 13.04 15.61 92.95 55.00 -65.83 -38.63 6.64 0.06 93.30 2.29 0.80 3.45 91.76 1.64 0.00 0.03 0.03 11 I H H 96.19 2.27 13.99 16.66 92.75 50.28 -66.39 -40.34 3.10 0.09 96.81 1.50 0.39 1.32 95.16 1.54 0.00 0.06 0.03 12 I H H 80.45 4.00 13.19 18.64 92.50 50.38 -65.06 -42.14 1.39 0.05 98.56 0.69 0.15 0.53 97.95 0.62 0.00 0.03 0.01 13 M H H 100.76 3.06 14.48 18.40 92.34 49.60 -65.22 -40.91 1.07 0.03 98.90 0.38 0.10 0.51 98.55 0.44 0.00 0.02 0.01 14 S H H 63.04 2.02 15.38 17.33 91.98 50.27 -64.74 -41.14 1.38 0.02 98.60 0.36 0.11 0.76 98.28 0.46 0.00 0.01 0.00 15 A H H 57.99 2.38 15.37 17.98 92.18 50.27 -64.89 -41.12 1.35 0.01 98.64 0.30 0.10 0.79 98.50 0.29 0.00 0.00 0.00 16 L H H 87.34 3.10 15.21 18.99 92.12 49.66 -65.11 -40.88 0.87 0.00 99.13 0.19 0.07 0.49 99.09 0.15 0.00 0.00 0.00 17 G H H 35.54 3.07 14.88 18.89 91.97 51.22 -63.74 -41.38 0.99 0.00 99.01 0.19 0.07 0.60 99.00 0.14 0.00 0.00 0.00 18 S H H 65.31 1.78 15.88 17.15 92.11 50.38 -65.04 -41.12 0.78 0.00 99.22 0.14 0.05 0.47 99.24 0.10 0.00 0.00 0.00 19 F H H 125.14 1.89 15.64 17.28 92.27 49.75 -65.38 -41.09 0.45 0.00 99.55 0.08 0.03 0.27 99.57 0.06 0.00 0.00 0.00 20 L H H 92.24 2.80 14.98 18.40 92.25 49.76 -65.04 -41.47 0.30 0.00 99.70 0.05 0.02 0.17 99.71 0.04 0.00 0.00 0.00 21 V H H 85.51 2.12 15.67 17.78 91.98 49.93 -64.14 -41.69 0.27 0.00 99.73 0.05 0.01 0.15 99.76 0.03 0.00 0.00 0.00 22 G H H 38.11 1.92 15.85 17.46 91.90 50.26 -63.93 -41.83 0.30 0.00 99.70 0.05 0.01 0.18 99.73 0.03 0.00 0.00 0.00 23 A H H 57.69 2.35 15.35 17.87 91.83 50.20 -64.13 -41.40 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 24 V H H 76.19 2.88 14.85 18.48 91.79 50.30 -64.13 -41.82 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 25 L H H 96.44 1.96 15.52 17.32 91.87 50.09 -64.48 -41.46 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 26 V H H 87.23 1.70 15.60 16.74 91.75 49.88 -64.48 -41.75 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 27 M H H 99.72 2.35 14.82 17.42 91.93 49.81 -64.59 -41.43 0.25 0.00 99.75 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 28 H H H 100.74 2.92 13.77 17.62 92.27 49.91 -64.92 -40.84 0.69 0.00 99.31 0.08 0.04 0.50 99.19 0.19 0.00 0.00 0.00 29 I H H 100.35 1.80 13.87 15.67 92.15 49.55 -64.94 -41.24 0.96 0.01 99.04 0.09 0.06 0.73 98.54 0.58 0.00 0.00 0.00 30 W H H 162.23 1.51 13.40 14.74 92.84 48.75 -66.30 -39.76 2.77 0.01 97.22 0.23 0.18 2.25 96.27 1.05 0.01 0.01 0.00 31 A H H 68.31 2.43 11.97 15.31 93.18 51.18 -68.26 -34.86 13.08 0.04 86.88 0.95 0.84 10.99 85.80 1.37 0.02 0.02 0.02 32 Y H H 149.12 2.22 11.48 14.57 96.79 46.90 -84.54 -15.17 41.61 0.50 57.89 10.36 6.90 25.56 54.10 2.51 0.06 0.18 0.33 33 G C C 45.87 3.56 11.53 16.49 99.60 58.72 -63.67 -3.01 77.16 0.86 21.98 47.54 7.06 22.33 18.15 4.04 0.00 0.41 0.46 34 Q C C 117.83 3.10 11.19 15.55 100.82 77.27 -83.61 -10.66 78.28 1.30 20.42 52.88 8.79 16.72 13.10 7.12 0.00 0.62 0.76 35 F C C 131.51 3.90 10.72 16.22 103.96 76.11 -84.99 5.22 80.96 1.44 17.61 40.35 13.69 27.61 9.85 6.98 0.01 0.65 0.86 36 N C C 109.21 2.81 12.16 16.18 102.75 49.66 -92.54 25.61 83.73 1.27 15.01 44.61 13.07 26.55 8.38 6.03 0.00 0.59 0.77 37 W C C 122.07 6.00 9.73 17.49 110.43 124.50 -80.58 137.03 63.12 0.98 35.91 44.42 12.65 5.82 32.52 3.70 0.00 0.37 0.52 38 P H H 82.41 3.06 12.64 16.67 96.86 25.86 -65.89 -34.77 33.83 0.59 65.59 20.25 4.75 9.92 58.09 6.43 0.01 0.31 0.24 39 A H H 65.34 2.75 12.48 16.23 94.08 55.31 -66.40 -37.08 19.36 0.43 80.21 8.98 3.33 7.94 70.29 9.02 0.03 0.25 0.16 40 T H H 71.20 3.29 12.70 17.24 93.66 52.04 -67.36 -38.02 14.11 0.41 85.48 7.10 2.53 5.34 75.16 9.46 0.02 0.26 0.12 41 L H H 83.82 3.57 12.15 17.15 93.51 52.47 -66.28 -38.90 13.99 0.46 85.54 7.48 2.60 5.15 76.55 7.76 0.02 0.29 0.14 42 K H H 124.45 2.36 12.96 16.01 93.45 52.20 -66.40 -37.91 14.75 0.42 84.83 7.28 2.70 5.98 76.73 6.89 0.03 0.25 0.14 43 A H H 62.13 2.92 11.73 15.96 93.20 53.61 -66.55 -36.36 16.88 0.41 82.72 6.97 2.93 7.75 71.80 10.12 0.04 0.25 0.15 44 K H H 138.59 2.21 12.08 15.28 93.57 54.62 -71.17 -28.36 25.50 0.61 73.88 8.66 4.29 13.39 62.88 10.07 0.09 0.35 0.27 45 Y H H 156.53 2.58 10.66 14.37 98.29 50.73 -87.87 -4.89 41.51 1.12 57.37 15.31 8.21 20.11 47.87 7.28 0.10 0.52 0.60 46 A C C 76.97 2.88 9.43 13.97 108.94 88.92 -85.80 109.77 72.44 1.69 25.87 37.71 18.61 16.31 22.09 3.62 0.01 0.63 1.02 47 T C C 98.24 2.47 8.90 13.21 116.62 -131.90 -94.89 133.54 97.81 1.21 0.99 54.05 42.67 1.15 0.72 0.23 0.00 0.37 0.80 48 P C C 94.34 2.89 8.48 13.20 115.48 -106.63 -67.93 148.90 96.54 0.41 3.04 85.82 7.92 3.00 1.69 1.11 0.00 0.18 0.28 49 P C C 111.73 1.66 8.07 11.26 108.60 -102.68 -67.66 146.03 78.72 1.02 20.26 50.59 9.90 18.35 7.51 12.51 0.00 0.53 0.62 50 A C C 92.05 1.34 7.07 9.78 111.01 -115.27 -82.97 131.04 71.23 3.49 25.28 40.09 12.57 19.28 8.89 15.71 0.01 1.94 1.51 51 A C C 90.37 1.65 6.11 9.45 110.74 -121.64 -82.93 126.47 69.93 5.30 24.77 45.45 12.75 12.28 8.35 16.05 0.01 3.30 1.81 52 T C C 114.26 1.21 6.72 9.35 112.28 -148.52 -94.03 121.40 81.79 4.51 13.70 71.40 2.53 9.45 6.36 5.58 0.00 3.01 1.69 53 R C C 179.75 1.78 8.96 12.31 110.98 -141.09 -89.68 122.28 99.84 0.11 0.04 99.71 0.12 0.08 0.02 0.00 0.00 0.05 0.02