NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4811 8.1627 120.6187 55.3510 34.2144 173.5788 2 K 4.6565 8.6071 127.9792 55.2283 33.7346 170.3256 3 V 4.9811 9.0676 120.6449 59.4808 36.5123 173.7111 4 I 4.8498 8.3275 123.1688 59.1712 40.4746 174.6340 5 F 4.8024 8.8812 128.5311 57.6404 39.4674 176.1648 6 L 4.4826 8.9814 122.9595 55.4490 42.7274 176.5629 7 K 4.8229 7.9548 115.9055 54.3233 36.5828 175.6441 8 D 4.5957 8.6992 121.8085 54.3434 41.8223 176.4421 9 V 4.2635 8.8438 123.5642 60.4154 33.6376 174.5313 10 K 3.8671 8.6654 128.8858 58.1298 32.3226 177.0279 11 G 3.9337 9.1184 113.0665 46.0070 0.0000 172.6666 12 M 4.5197 7.3221 116.6785 54.7895 34.5958 174.8411 13 G 3.2806 7.5368 104.6352 44.7536 0.0000 172.5022 14 K 4.6783 8.3304 120.3216 53.7746 33.9877 176.3785 15 K 4.1168 8.8617 122.6503 58.7271 32.2577 177.1578 16 G 4.0818 9.2595 115.2819 45.2687 0.0000 173.5213 17 E 4.4335 8.3627 119.4351 56.2784 31.0585 175.8208 18 I 5.1566 8.3280 122.2942 59.5685 39.8889 174.9580 19 K 4.7554 9.0342 127.1845 54.9290 36.2463 174.3581 20 N 5.3269 8.7947 123.2268 52.6641 39.5601 174.7694 21 V 4.7324 8.7868 116.1033 58.9184 36.5010 175.3438 22 A 4.1232 8.6260 124.3145 52.6767 18.9716 178.6524 23 D 4.4783 8.9373 121.9659 57.3605 40.8923 179.4886 24 G 3.6621 8.1011 105.7880 47.9358 0.0000 174.9140 25 Y 4.1964 8.0328 121.2714 60.3122 38.8772 177.6352 26 A 3.2526 7.8547 121.5932 55.1957 18.1996 179.4780 27 N 4.3598 8.0670 113.7355 55.9357 38.7443 176.7144 28 N 4.7615 8.1859 115.7164 53.6646 39.6001 174.4742 29 F 4.5920 7.6171 119.4920 59.5776 42.0298 176.6978 30 L 3.7046 7.8041 119.7728 57.8634 42.0513 180.0153 31 F 4.4187 8.1250 117.7919 60.3541 39.0592 177.7611 32 K 3.8816 8.1122 120.3454 59.0889 31.9605 177.0154 33 Q 4.1602 7.8246 114.9553 54.9634 28.9490 175.8165 34 G 3.8941 7.6525 105.6823 46.6284 0.0000 174.8611 35 L 4.5035 8.0926 121.0436 55.7887 42.9683 176.2267 36 A 4.9777 7.6825 118.2030 51.0377 22.3515 174.8094 37 I 4.4638 8.4683 118.3131 58.6967 42.1680 174.0428 38 E 4.4343 8.3173 126.7874 55.8580 29.9613 177.1306 39 A 4.6113 8.3760 131.3773 51.4396 16.9436 177.4743 40 T 4.1396 7.5080 112.6780 60.4533 70.6939 174.3738 41 P 4.1862 0.0000 0.0000 65.8106 31.2625 178.8282 42 A 3.9755 7.9184 118.9501 55.3207 18.3148 179.3253 43 N 4.2842 8.1464 115.0052 56.3787 38.5623 177.7085 44 L 3.9858 8.1768 120.6776 57.5526 41.6927 179.4353 45 K 3.8950 8.2648 119.4620 59.4732 32.2701 178.7936 46 A 3.9876 8.0279 121.0655 55.0445 18.3052 179.5842 47 L 3.9462 8.2770 117.9457 58.0004 41.7594 179.5628 48 E 3.9488 8.3921 118.3204 59.3959 29.1704 179.3113 49 A 4.0219 7.7688 119.9638 55.0977 18.5039 179.3925 50 Q 4.0788 7.7876 114.9228 59.3983 28.8510 178.5035 51 K 4.1020 7.8259 119.5546 59.0929 32.1516 177.5529 52 Q 4.2906 7.8700 121.7041 56.1502 28.8300 175.8349 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 M 8.16 4.48 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 2 K 8.61 4.66 0.00 2.09 1.68 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.56 7.81 3 V 9.07 4.98 1.89 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 0.64 0.00 0.00 0.49 0.00 0.00 4 I 8.33 4.85 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.71 0.88 0.00 0.00 5 F 8.88 4.80 0.00 3.39 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.98 4.48 0.00 1.54 1.74 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.95 4.82 0.00 1.64 1.69 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.48 7.81 8 D 8.70 4.60 0.00 2.56 2.58 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 9 V 8.84 4.26 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 1.11 0.00 0.00 1.14 0.00 0.00 10 K 8.67 3.87 0.00 1.74 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 11 G 9.12 3.93 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 0.00 0.00 0.00 12 M 7.32 4.52 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.97 0.00 13 G 7.54 3.28 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 0.00 0.00 0.00 0.00 14 K 8.33 4.68 0.00 1.91 1.70 0.00 1.82 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.28 7.81 15 K 8.86 4.12 0.00 1.82 1.79 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.52 7.81 16 G 9.26 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.43 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 18 I 8.33 5.16 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.98 0.00 0.00 19 K 9.03 4.76 0.00 2.07 1.85 0.00 1.88 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 20 N 8.79 5.33 0.00 2.68 2.76 0.00 0.00 6.74 7.68 0.00 0.00 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 V 8.79 4.73 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.00 0.00 0.00 22 A 8.63 4.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.94 4.48 0.00 2.72 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 24 G 8.10 3.66 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 0.00 0.00 0.00 25 Y 8.03 4.20 0.00 2.99 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 A 7.85 3.25 0.78 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 0.00 0.00 27 N 8.07 4.36 0.00 2.77 2.93 0.00 0.00 7.08 7.70 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 28 N 8.19 4.76 0.00 2.89 2.92 0.00 0.00 6.75 7.16 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 29 F 7.62 4.59 0.00 3.05 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.80 3.70 0.00 1.31 1.48 0.76 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.12 4.42 0.00 2.97 2.88 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 32 K 8.11 3.88 0.00 1.70 1.97 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.45 7.81 33 Q 7.82 4.16 0.00 1.64 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.35 0.00 0.00 0.00 0.00 0.00 1.88 1.49 0.00 34 G 7.65 3.89 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 0.00 0.00 0.00 35 L 8.09 4.50 0.00 1.61 1.84 0.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.68 4.98 0.99 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 0.00 0.00 0.00 0.00 0.00 37 I 8.47 4.46 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.41 0.84 0.00 0.00 38 E 8.32 4.43 0.00 1.86 1.73 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 2.30 2.54 0.00 39 A 8.38 4.61 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 40 T 7.51 4.14 4.22 0.00 0.00 0.00 0.00 0.00 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 41 P 0.00 4.19 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 42 A 7.92 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.15 4.28 0.00 2.91 2.83 0.00 0.00 7.07 6.90 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 44 L 8.18 3.99 0.00 1.81 1.71 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.26 3.90 0.00 1.93 1.97 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 8.03 3.99 1.36 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 0.00 0.00 0.00 47 L 8.28 3.95 0.00 1.82 1.73 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.39 3.95 0.00 2.17 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 2.33 2.42 0.00 49 A 7.77 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.79 4.08 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 51 K 7.83 4.10 0.00 1.89 1.92 0.00 1.59 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.53 7.81 52 Q 7.87 4.29 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00