NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.4026 8.1401 121.6864 57.8411 39.8657 173.5361 2 A 4.2234 6.6142 126.0739 51.4239 22.1369 174.1028 3 E 4.2888 8.4900 120.5759 55.2124 28.1945 174.9846 4 G 3.6335 7.1332 109.9755 46.5091 0.0000 171.8319 5 T 4.5548 7.5095 112.3705 62.6728 69.6843 177.1136 6 F 4.3965 8.2703 127.7588 60.8660 39.3551 176.2949 7 I 3.7745 8.1716 117.8793 64.5068 37.3882 177.7631 8 S 4.0894 7.7525 114.5698 61.6242 62.5150 176.2475 9 D 4.1989 7.8482 121.2913 56.5295 38.8697 177.8097 10 Y 3.9391 7.7427 120.8846 60.5599 38.7344 178.2603 11 S 3.9822 8.3628 116.2924 61.6563 62.9577 176.8050 12 I 3.6142 8.0158 122.6090 64.0975 36.7173 178.3011 13 A 3.8804 8.3216 121.9166 55.4923 18.2113 179.5243 14 M 3.7827 7.9219 117.5145 58.3825 31.9629 178.4401 15 D 4.2357 8.1544 118.4018 57.2858 41.2031 178.1563 16 K 4.0976 8.0420 120.2510 58.9475 32.4237 178.5189 17 I 3.8389 8.0042 120.1945 64.8365 37.1255 178.0264 18 H 4.2943 8.8668 119.2373 59.2661 29.4529 176.9801 19 Q 4.0370 8.7144 120.4478 58.9183 28.3924 178.5950 20 Q 4.0884 8.1097 120.6363 59.6442 28.9989 178.9364 21 D 4.3881 8.2211 119.3930 57.4117 40.8763 178.5829 22 F 4.1970 8.0885 120.6726 61.2285 39.3632 177.2287 23 V 3.5482 8.6626 118.2473 66.0517 31.4356 177.3994 24 N 4.2174 8.4084 117.0395 56.3917 38.6011 176.5704 25 W 3.9720 8.6652 130.2035 60.2508 30.6404 177.9182 26 L 2.8422 7.5434 118.3132 58.4931 39.9325 178.7905 27 L 3.9390 7.8840 119.9704 57.3301 41.3460 179.2975 28 A 3.8878 8.0274 119.6398 54.2666 18.8556 179.0501 29 Q 4.3845 7.0335 115.7188 54.3129 29.1777 175.8221 30 K 3.8833 7.4865 125.8576 57.0553 32.6890 174.3957 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 Y 8.14 4.40 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 6.61 4.22 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.49 4.29 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 4 G 7.13 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.51 4.55 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 6 F 8.27 4.40 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.17 3.77 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.41 0.95 0.00 0.00 8 S 7.75 4.09 0.00 4.05 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.85 4.20 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.74 3.94 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.36 3.98 0.00 4.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.02 3.61 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 0.86 0.00 0.00 13 A 8.32 3.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.92 3.78 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.12 0.00 15 D 8.15 4.24 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.04 4.10 0.00 1.70 1.93 0.00 1.69 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.34 7.81 17 I 8.00 3.84 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.46 0.92 0.00 0.00 18 H 8.87 4.29 0.00 3.15 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.71 4.04 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 20 Q 8.11 4.09 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 21 D 8.22 4.39 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.09 4.20 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.66 3.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.10 0.00 0.00 24 N 8.41 4.22 0.00 3.09 3.04 0.00 0.00 6.94 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.67 3.97 0.00 3.37 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.54 2.84 0.00 1.51 1.49 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.88 3.94 0.00 1.75 1.67 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.03 3.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.03 4.38 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.05 1.78 0.00 30 K 7.49 3.88 0.00 1.38 1.48 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 1.24 7.81