# 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 V C C 73.01 7.95 11.80 20.79 109.68 -149.99 -90.11 111.33 99.75 0.17 0.09 99.69 0.10 0.05 0.05 0.00 0.00 0.07 0.03 1 A C C 65.92 3.02 10.81 15.14 97.40 110.42 -69.58 -36.34 50.83 1.17 48.00 45.97 1.27 4.47 45.59 1.71 0.00 0.48 0.53 2 Y H H 158.56 1.55 9.86 12.15 94.42 57.78 -67.40 -36.14 18.87 0.44 80.69 7.39 3.85 9.26 74.58 4.42 0.06 0.24 0.19 3 W H H 141.03 3.56 9.05 14.25 94.45 52.74 -69.10 -36.03 11.16 0.36 88.49 4.08 2.01 5.90 79.79 7.81 0.05 0.24 0.12 4 R H H 145.45 2.92 10.20 14.72 93.44 54.49 -66.77 -37.72 7.83 0.26 91.92 2.79 1.29 4.11 82.51 9.02 0.03 0.18 0.08 5 Q H H 137.84 1.24 11.22 12.73 93.98 54.94 -70.78 -27.56 14.98 0.24 84.79 2.72 2.02 10.28 76.72 7.92 0.10 0.13 0.11 6 A C T 72.49 2.65 10.38 14.34 96.26 54.64 -83.95 -7.55 58.91 0.20 40.89 1.86 3.82 52.24 37.26 4.49 0.07 0.08 0.18 7 G C T 55.08 1.86 13.32 15.63 99.77 -107.08 82.70 9.81 95.80 0.13 4.07 8.28 5.93 81.77 3.06 0.82 0.00 0.06 0.07 8 L C C 71.61 8.43 8.62 18.53 115.77 135.45 -90.98 133.04 93.00 1.22 5.78 80.44 7.97 4.23 4.62 1.30 0.00 0.48 0.96 9 S C C 55.21 3.38 14.42 18.68 121.72 -150.16 -94.00 161.66 88.99 1.83 9.18 79.88 5.78 2.62 8.83 1.02 0.00 0.61 1.26 10 Y H H 149.21 4.05 12.25 17.91 92.96 -103.19 -62.11 -37.01 7.41 0.06 92.52 1.97 1.85 3.79 91.55 0.75 0.01 0.02 0.04 11 I H H 114.89 1.63 14.76 15.86 92.42 52.16 -65.71 -40.50 3.30 0.02 96.69 0.50 0.37 2.41 96.01 0.70 0.01 0.00 0.01 12 R H H 121.96 3.43 15.03 19.31 92.34 49.14 -66.24 -40.14 1.18 0.00 98.81 0.25 0.11 0.76 98.31 0.57 0.00 0.00 0.00 13 Y H H 90.89 7.23 13.56 22.35 92.12 50.77 -64.50 -42.19 0.44 0.00 99.56 0.09 0.04 0.24 99.47 0.16 0.00 0.00 0.00 14 S H H 55.37 3.64 16.05 20.41 91.67 50.06 -64.37 -40.97 0.30 0.00 99.69 0.05 0.02 0.17 99.72 0.05 0.00 0.00 0.00 15 Q H H 100.80 2.41 17.72 19.83 91.96 50.36 -64.62 -41.55 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 16 I H H 72.73 5.13 16.75 22.99 92.13 49.54 -64.37 -42.34 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 17 C H H 57.09 5.38 16.60 23.15 91.78 49.94 -63.70 -41.42 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 18 A H H 52.49 3.26 17.21 20.77 91.47 50.53 -63.49 -41.48 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 19 K H H 114.89 2.41 18.59 20.58 92.00 50.09 -65.20 -40.74 0.18 0.00 99.82 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 20 A H H 43.17 5.82 15.13 22.37 91.94 51.16 -63.95 -41.91 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 21 V H H 76.99 4.45 16.20 21.25 91.97 49.53 -64.06 -41.59 0.28 0.00 99.72 0.03 0.01 0.17 99.72 0.06 0.00 0.00 0.00 22 R H H 137.42 2.43 16.54 18.94 92.13 49.98 -64.79 -40.37 0.76 0.00 99.24 0.07 0.04 0.52 99.16 0.22 0.00 0.00 0.00 23 D H H 87.67 2.99 15.87 19.14 92.52 49.86 -68.16 -35.09 3.70 0.00 96.29 0.21 0.18 3.11 95.82 0.66 0.00 0.00 0.00 24 A H H 51.82 6.35 12.35 19.99 92.80 55.35 -70.59 -29.12 18.97 0.05 80.98 1.04 1.22 16.56 79.83 1.28 0.03 0.02 0.03 25 L C H 99.97 4.53 12.59 18.24 96.85 57.54 -82.53 -11.64 55.56 0.73 43.71 9.81 10.28 35.62 40.91 2.57 0.06 0.25 0.50 26 K C C 108.16 4.00 11.50 17.18 109.95 104.05 -75.25 134.21 72.51 0.88 26.62 51.26 16.20 4.13 25.80 1.79 0.00 0.26 0.55 27 T H H 100.16 1.88 11.95 14.60 95.14 -127.73 -63.64 -37.21 13.18 0.16 86.66 4.67 2.46 6.47 78.85 7.37 0.02 0.08 0.07 28 E H H 135.82 1.15 13.54 14.18 92.85 53.92 -66.45 -38.20 10.31 0.12 89.57 2.67 1.41 6.11 82.28 7.39 0.02 0.08 0.04 29 F H H 93.06 5.28 11.36 18.36 94.01 48.00 -69.19 -38.39 8.45 0.17 91.38 3.32 1.21 3.99 84.19 7.12 0.01 0.11 0.05 30 K H H 105.05 4.74 12.52 18.89 92.32 54.45 -63.94 -40.49 5.82 0.18 94.00 2.99 0.94 2.27 91.06 2.57 0.01 0.11 0.05 31 A H H 62.22 1.72 14.55 16.04 92.19 51.11 -64.86 -40.29 5.48 0.14 94.37 1.97 0.78 2.88 91.11 3.13 0.01 0.10 0.03 32 N H H 96.05 2.07 14.22 16.41 92.97 49.82 -67.90 -37.17 7.63 0.13 92.25 2.07 0.98 4.56 88.60 3.65 0.02 0.08 0.03 33 A H H 47.65 6.60 10.23 18.61 93.51 54.57 -67.24 -35.49 12.76 0.21 87.02 4.02 1.85 7.05 82.64 4.21 0.03 0.13 0.07 34 M H H 129.20 2.14 12.70 15.72 93.70 55.52 -72.10 -27.19 27.63 0.70 71.67 9.81 4.32 14.56 66.58 4.01 0.05 0.38 0.28 35 K H H 155.11 1.22 11.60 12.99 98.32 63.24 -81.41 -9.70 44.69 1.60 53.72 19.58 7.71 18.96 48.44 3.80 0.06 0.78 0.69 36 T C C 93.61 3.12 8.62 13.37 105.77 76.62 -91.49 28.90 62.30 2.55 35.15 32.94 11.88 17.74 31.47 3.62 0.04 1.14 1.16 37 S C C 86.88 2.07 8.78 12.40 110.72 146.01 -93.50 108.75 79.26 2.13 18.60 37.13 15.55 26.84 13.72 4.71 0.02 1.06 0.97 38 G C C 59.41 1.54 9.30 11.99 109.41 9.03 72.18 32.86 87.11 1.86 11.03 36.92 22.88 28.16 4.65 5.62 0.00 0.96 0.80 39 S C C 89.09 1.95 8.15 11.59 109.41 115.34 -93.40 112.28 86.79 3.65 9.56 52.01 22.72 12.59 3.62 5.59 0.00 2.15 1.31 40 T C C 111.38 1.36 8.21 10.82 110.09 102.93 -103.61 93.71 83.60 8.48 7.92 56.24 18.73 9.01 3.11 4.71 0.01 6.17 2.02 41 I C C 126.32 2.83 6.44 11.35 118.08 151.15 -104.77 131.06 81.37 13.18 5.45 69.19 8.87 3.01 2.79 2.56 0.00 11.48 2.09 42 K C C 162.31 1.06 8.46 10.61 118.12 -158.96 -105.53 132.10 76.87 18.19 4.94 66.81 6.85 2.42 2.73 1.98 0.00 17.50 1.70 43 I C C 136.35 1.98 6.67 10.80 119.48 -155.78 -110.52 133.14 68.34 26.67 4.99 57.50 7.63 2.23 3.20 1.89 0.01 24.90 2.63 44 V C C 113.87 1.68 7.58 11.11 121.64 -166.66 -117.95 137.50 68.24 29.00 2.76 59.18 6.91 1.16 2.00 0.98 0.00 27.04 2.73 45 K C C 161.96 1.30 8.22 11.08 115.49 -131.65 -89.98 133.04 79.30 19.22 1.48 73.68 4.00 0.81 0.79 0.56 0.00 18.98 1.18 46 V C C 110.71 2.80 5.87 10.73 112.56 -128.55 -82.75 135.69 78.47 15.31 6.23 69.54 5.25 3.44 3.02 2.96 0.00 13.60 2.19 47 K C C 165.15 0.99 7.02 9.16 114.14 -140.20 -92.87 135.24 84.45 9.20 6.35 59.97 16.54 8.13 2.71 3.58 0.00 7.17 1.90 48 K C C 167.41 1.13 6.78 9.31 110.41 -123.44 -88.97 124.87 88.48 6.35 5.16 78.95 2.96 7.04 1.84 2.73 0.00 5.00 1.48 49 E C C 148.45 1.80 9.08 12.42 111.66 -144.45 -88.83 128.88 99.79 0.17 0.04 99.69 0.10 0.06 0.01 0.00 0.00 0.10 0.01