NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.3264 8.3449 119.1191 54.8263 30.6624 174.9013 5 I 3.9617 7.4704 118.8906 57.6331 37.9168 173.9057 6 P 4.4455 0.0000 0.0000 61.4787 32.8422 173.6169 7 P 4.1988 0.0000 0.0000 64.5382 31.5884 176.8710 8 G 4.2436 8.9741 109.7728 45.4462 0.0000 174.8550 9 L 3.9437 7.6854 120.5730 58.5439 42.0738 178.8935 10 T 3.9106 7.9194 115.1206 66.7660 68.5118 176.2291 11 E 4.0361 8.2001 119.9353 59.2350 29.6575 178.9976 12 L 4.1758 8.1542 120.2866 58.3292 42.1614 179.0691 13 L 4.1682 8.1738 118.9458 57.8672 41.4806 179.3237 14 Q 4.0808 8.7207 120.1243 59.0749 29.0219 178.5305 15 G 3.8241 8.2354 108.0913 47.4532 0.0000 175.1010 16 Y 2.8202 7.8131 121.9053 60.2709 38.7987 178.1281 17 T 3.6767 8.2114 117.1698 66.5521 68.4880 177.1608 18 V 3.6196 7.9979 121.3114 64.7868 31.3043 178.3329 19 E 3.9155 7.9130 118.8523 58.8501 29.2029 179.2799 20 V 2.9369 7.4392 118.5070 65.8654 31.2840 178.1833 21 L 3.8809 7.4597 117.3762 57.7256 41.4970 179.4238 22 R 4.0092 8.0505 117.6132 58.8504 30.1341 178.3035 23 Q 4.1466 8.1093 116.0398 54.9271 30.5292 175.6426 24 Q 3.2443 7.8341 118.4688 56.0690 26.6673 172.2552 25 P 4.3187 0.0000 0.0000 61.7558 32.5122 175.5850 26 P 4.3101 0.0000 0.0000 65.0231 31.7784 176.7009 27 D 4.7805 7.8053 117.5625 51.4789 44.2597 175.7494 28 L 4.1916 8.6194 127.1537 57.9115 41.7793 179.6829 29 V 3.6802 7.9070 117.7356 66.0414 31.6677 177.4340 30 D 4.4468 8.8323 119.0988 57.6519 40.7151 178.7919 31 F 4.5146 8.7884 121.9719 60.6176 39.3619 176.9151 32 A 4.1133 8.5769 120.5748 55.2289 18.3540 179.5696 33 V 3.6272 8.0252 116.7448 66.3577 31.7005 178.1014 34 E 3.9168 8.2073 118.0161 59.4634 29.1612 178.6427 35 Y 3.7036 8.1044 119.6803 60.8153 38.8014 178.3285 36 F 4.2313 8.2218 118.3244 60.4102 38.9710 178.0844 37 T 3.9019 7.8510 115.4319 66.5168 68.1509 176.8395 38 R 3.8231 7.8314 120.0264 59.1624 29.5825 178.8206 39 L 3.7707 7.5446 119.9693 58.1371 41.8384 178.9489 40 R 3.9356 7.9101 117.5298 59.5271 30.0543 177.9795 41 E 4.1300 8.0423 117.2358 58.9894 29.6535 178.7145 42 A 4.0782 8.1481 120.3502 54.3388 18.4521 177.8619 43 R 4.1882 7.4450 120.2820 56.6933 30.3441 175.7853 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 4 Q 8.34 4.33 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 5 I 7.47 3.96 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 0.92 0.00 0.00 6 P 0.00 4.45 0.00 2.21 2.17 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 7 P 0.00 4.20 0.00 2.20 2.12 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 8 G 8.97 4.24 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 0.00 9 L 7.69 3.94 0.00 1.82 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.92 3.91 4.27 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 1.24 0.00 0.00 11 E 8.20 4.04 0.00 2.28 2.06 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 2.44 2.47 0.00 12 L 8.15 4.18 0.00 2.06 1.88 1.22 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.17 4.17 0.00 1.94 1.79 0.95 0.92 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 14 Q 8.72 4.08 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 15 G 8.24 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.81 2.82 0.00 2.49 2.90 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 17 T 8.21 3.68 4.27 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 18 V 8.00 3.62 2.11 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 1.04 0.00 0.00 0.91 0.00 0.00 19 E 7.91 3.92 0.00 2.11 2.26 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 2.58 2.74 0.00 20 V 7.44 2.94 1.87 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 0.89 0.00 0.00 0.16 0.00 0.00 21 L 7.46 3.88 0.00 1.73 1.64 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.05 4.01 0.00 1.74 1.94 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 23 Q 8.11 4.15 0.00 1.72 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 24 Q 7.83 3.24 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 25 P 0.00 4.32 0.00 2.05 1.57 0.00 3.49 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.66 0.00 26 P 0.00 4.31 0.00 2.21 2.22 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 27 D 7.81 4.78 0.00 2.71 2.66 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 28 L 8.62 4.19 0.00 1.84 1.91 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.91 3.68 2.26 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 1.12 0.00 0.00 0.98 0.00 0.00 30 D 8.83 4.45 0.00 3.00 2.81 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 31 F 8.79 4.51 0.00 3.26 3.34 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 32 A 8.58 4.11 1.49 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 33 V 8.03 3.63 2.28 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 1.05 0.00 0.00 1.03 0.00 0.00 34 E 8.21 3.92 0.00 2.09 1.92 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 2.35 2.44 0.00 35 Y 8.10 3.70 0.00 2.09 2.44 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 36 F 8.22 4.23 0.00 3.32 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 37 T 7.85 3.90 4.26 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 38 R 7.83 3.82 0.00 1.80 1.81 0.00 3.05 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 39 L 7.54 3.77 0.00 1.64 1.73 0.68 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.91 3.94 0.00 1.95 2.12 0.00 3.31 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 41 E 8.04 4.13 0.00 2.09 1.96 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 2.54 2.44 0.00 42 A 8.15 4.08 1.27 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 43 R 7.45 4.19 0.00 1.84 1.92 0.00 3.45 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00