NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2877 8.3449 121.7117 55.3370 30.2510 174.8997 4 L 4.1274 8.3115 124.0232 53.3149 42.3521 176.2426 5 T 4.3649 9.6028 114.7362 60.8248 72.3147 175.6219 6 E 3.9137 8.5787 120.9857 59.6544 29.3854 179.3242 7 E 3.8652 8.0396 118.7903 59.2299 29.6915 178.7580 8 Q 3.4681 7.9926 118.0795 58.8045 28.6471 178.6994 9 I 3.7464 7.9034 120.8941 64.4010 37.0648 178.3924 10 A 3.9928 8.1946 121.7455 55.2106 18.1196 179.6050 11 E 3.9635 8.2999 117.2687 59.3938 29.5112 179.5438 12 F 4.8647 8.3266 118.4066 60.6025 38.9579 177.4677 13 K 3.6127 8.7299 119.6070 59.6272 31.9364 178.6824 14 E 3.9596 8.5622 118.6932 59.3071 29.1608 179.2657 15 A 4.1009 8.2615 119.9307 55.0983 18.8351 178.9208 16 F 4.0759 8.5437 119.2375 61.8638 39.5707 177.6750 17 S 4.3130 8.5965 114.2971 61.1843 62.3048 176.4650 18 L 3.8183 7.5840 120.9307 56.7522 41.2782 177.8650 19 F 4.4778 7.6941 114.4267 57.1024 39.7340 175.9976 20 D 4.5529 7.4848 123.0283 52.4531 39.5217 176.5182 21 K 3.9406 8.2636 125.8852 58.4175 32.6627 177.2170 22 D 4.5787 8.0897 115.5449 52.7296 39.7077 176.6076 23 G 3.8826 8.0117 107.1635 46.7458 0.0000 174.0063 24 D 4.6904 8.3170 115.4837 52.6371 39.7963 177.1821 25 G 4.1549 9.7580 108.7071 45.8179 0.0000 173.0342 26 T 5.6604 7.9720 108.0069 59.7280 72.0151 172.8241 27 I 4.7131 8.7130 116.1775 59.0716 41.7825 174.2730 28 T 4.7484 8.1609 112.0264 61.1407 69.5812 176.1564 29 T 3.9098 8.8151 114.6097 64.9213 68.4742 176.7582 30 K 4.0758 7.4296 120.4869 58.2276 32.3159 177.8982 31 E 4.1979 7.7609 117.9261 56.0550 29.7037 177.5365 32 L 3.9350 7.6450 122.5327 58.1097 42.1073 178.9952 33 G 3.5887 7.9604 105.1547 48.1416 0.0000 175.6098 34 T 3.6933 7.5273 117.5079 66.1460 68.3502 176.7398 35 V 3.5794 7.4926 120.1838 66.3271 31.5549 178.0453 36 M 4.1922 8.2023 118.4305 58.5805 31.7134 179.0509 37 R 4.5662 8.3145 119.8866 58.7937 29.9733 179.2419 38 S 4.2364 8.1034 114.3750 61.0795 62.8873 175.6797 39 L 4.5343 7.6260 119.0904 54.6586 41.7028 177.6409 40 G 3.9351 8.2780 107.8738 45.5214 0.0000 173.6859 41 Q 4.4788 7.9425 119.1881 54.8255 30.7501 174.9011 42 N 5.2111 8.0920 115.3758 51.6063 38.7709 172.1736 43 P 4.6251 0.0000 0.0000 62.6753 32.9281 177.7195 44 T 4.2762 9.0642 111.5174 61.1251 71.0496 175.6271 45 E 3.9463 8.7187 120.9089 59.5407 29.4131 179.2825 46 A 3.9849 8.0442 120.1248 55.5805 18.4109 179.4418 47 E 3.9279 8.2485 116.6602 59.3714 29.4273 179.5605 48 L 3.9645 8.3881 119.4677 57.9614 41.6488 179.4496 49 Q 4.0005 8.3856 118.1988 59.1992 28.5329 178.8664 50 D 4.3510 8.0699 119.6506 57.6609 40.8560 178.8011 51 M 4.0476 7.9909 119.0706 58.5899 31.8992 178.9752 52 I 3.7485 8.1692 120.3218 64.2749 37.0006 177.8854 53 N 4.2460 8.3494 117.6155 56.6579 38.7287 176.2897 54 E 4.1987 7.7403 119.0533 58.3467 29.9711 178.3504 55 V 4.3809 7.7816 109.3463 60.9489 33.6854 175.2788 56 D 4.8516 8.3924 118.2411 52.5458 41.1828 176.0870 57 A 4.0043 8.0984 123.6353 55.5253 18.8840 178.6407 58 D 4.5332 8.0892 112.5316 54.2617 41.3545 176.2773 59 G 3.8217 8.0003 107.5302 46.8275 0.0000 174.2627 60 N 4.5553 8.7237 115.7936 52.2235 38.4160 175.6314 61 G 3.9446 9.4919 108.8017 45.4065 0.0000 172.6985 62 T 5.2181 7.7348 107.6708 59.6332 72.1255 173.2731 63 I 4.8330 8.8145 123.2420 59.7945 41.2680 174.7496 64 D 5.3902 8.7771 126.1944 52.2642 41.6234 177.4134 65 F 3.2672 8.9126 121.5267 60.6594 39.2360 175.5267 66 P 4.0408 0.0000 0.0000 65.7840 31.1599 178.4301 67 E 3.9489 8.4633 117.2434 59.0108 29.2994 179.0489 68 F 4.0631 8.1249 120.8662 61.1277 39.3424 177.0098 69 L 3.3973 7.4587 120.3310 58.1891 41.8527 179.0961 70 T 3.7992 7.6586 109.6405 64.7224 68.6587 176.2342 71 M 3.9181 7.8591 121.3031 58.6406 32.1122 178.1086 72 M 3.6711 7.7076 118.8035 57.9703 31.7332 178.2298 73 A 4.0013 7.8491 120.3544 55.6002 18.5512 179.6734 74 R 3.9697 7.5512 115.1370 59.1964 30.1838 178.9391 75 K 4.0421 7.8074 118.6759 59.2677 32.2513 177.0832 76 M 4.3511 8.2203 123.0997 55.4858 32.1891 175.8955 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 3 Q 8.34 4.29 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 L 8.31 4.13 0.00 1.78 1.60 1.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.60 4.36 4.21 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 1.19 0.00 0.00 6 E 8.58 3.91 0.00 1.98 2.03 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 2.39 2.31 0.00 7 E 8.04 3.87 0.00 1.99 1.88 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 2.36 2.38 0.00 8 Q 7.99 3.47 0.00 2.10 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 9 I 7.90 3.75 2.01 0.00 0.00 0.89 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 0.84 1.04 0.00 0.00 10 A 8.19 3.99 1.34 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 0.00 0.00 11 E 8.30 3.96 0.00 1.93 2.03 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 2.33 2.37 0.00 12 F 8.33 4.86 0.00 3.38 3.47 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 0.00 0.00 0.00 0.00 13 K 8.73 3.61 0.00 1.70 1.92 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.18 1.32 7.81 14 E 8.56 3.96 0.00 2.20 2.02 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 2.50 2.48 0.00 15 A 8.26 4.10 1.58 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 F 8.54 4.08 0.00 3.10 3.30 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 S 8.60 4.31 0.00 4.12 3.90 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 18 L 7.58 3.82 0.00 1.38 0.96 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.69 4.48 0.00 2.89 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 20 D 7.48 4.55 0.00 2.65 2.69 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 21 K 8.26 3.94 0.00 1.72 1.80 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.39 7.81 22 D 8.09 4.58 0.00 2.80 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 23 G 8.01 3.88 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 24 D 8.32 4.69 0.00 2.84 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 25 G 9.76 4.15 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 0.00 0.00 0.00 26 T 7.97 5.66 4.34 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 1.31 0.00 0.00 27 I 8.71 4.71 1.58 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.02 -0.02 0.00 0.00 28 T 8.16 4.75 4.21 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 1.19 0.00 0.00 29 T 8.82 3.91 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 1.29 0.00 0.00 30 K 7.43 4.08 0.00 1.90 1.87 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.45 7.81 31 E 7.76 4.20 0.00 1.96 1.59 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 2.10 2.19 0.00 32 L 7.64 3.94 0.00 1.77 1.71 1.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.96 3.59 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 34 T 7.53 3.69 3.36 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 0.66 0.00 0.00 35 V 7.49 3.58 2.09 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 0.97 0.00 0.00 0.71 0.00 0.00 36 M 8.20 4.19 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.99 0.00 37 R 8.31 4.57 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 38 S 8.10 4.24 0.00 4.19 4.10 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 39 L 7.63 4.53 0.00 1.93 1.90 1.25 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.28 3.94 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 41 Q 7.94 4.48 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 42 N 8.09 5.21 0.00 2.60 2.67 0.00 0.00 7.00 7.69 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 P 0.00 4.63 0.00 2.21 2.03 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 44 T 9.06 4.28 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 1.21 0.00 0.00 45 E 8.72 3.95 0.00 1.99 2.05 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 2.39 2.32 0.00 46 A 8.04 3.98 1.31 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 47 E 8.25 3.93 0.00 2.25 2.00 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 2.32 2.34 0.00 48 L 8.39 3.96 0.00 1.80 1.71 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.39 4.00 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 50 D 8.07 4.35 0.00 2.90 2.70 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 51 M 7.99 4.05 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 52 I 8.17 3.75 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.92 0.00 0.00 53 N 8.35 4.25 0.00 2.83 3.08 0.00 0.00 7.26 7.26 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 54 E 7.74 4.20 0.00 2.02 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 2.31 2.54 0.00 55 V 7.78 4.38 2.15 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 0.76 0.00 0.00 1.02 0.00 0.00 56 D 8.39 4.85 0.00 2.81 2.64 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 57 A 8.10 4.00 1.30 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 58 D 8.09 4.53 0.00 2.67 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 59 G 8.00 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 60 N 8.72 4.56 0.00 2.83 2.95 0.00 0.00 6.40 7.00 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 61 G 9.49 3.94 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 62 T 7.73 5.22 4.28 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 0.00 0.00 0.00 1.23 0.00 0.00 63 I 8.81 4.83 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 1.16 0.00 0.00 64 D 8.78 5.39 0.00 2.90 2.89 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 65 F 8.91 3.27 0.00 2.33 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 66 P 0.00 4.04 0.00 2.17 2.08 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 67 E 8.46 3.95 0.00 2.12 1.99 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 2.31 2.40 0.00 68 F 8.12 4.06 0.00 3.07 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.46 3.40 0.00 0.64 1.31 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.66 3.80 4.16 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 1.16 0.00 0.00 71 M 7.86 3.92 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 72 M 7.71 3.67 0.00 1.11 1.45 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.66 0.00 73 A 7.85 4.00 1.31 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 74 R 7.55 3.97 0.00 1.92 1.95 0.00 3.13 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 75 K 7.81 4.04 0.00 1.84 1.85 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.41 7.81 76 M 8.22 4.35 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.80 0.00