NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4569 8.1633 120.2753 54.7617 34.2915 174.1908 2 Y 4.4635 8.4280 117.7779 58.5851 38.5253 174.7734 3 L 5.1652 9.3000 123.6452 53.2451 45.2130 176.0804 4 T 4.4578 8.6249 111.6585 61.3453 70.1266 175.4830 5 L 3.3264 8.8555 123.7870 58.3082 42.0804 179.1189 6 Q 3.9612 8.0326 117.0823 59.1859 28.3239 177.9991 7 E 3.8758 8.0342 120.4298 58.6473 30.1265 178.1781 8 W 4.1445 8.2704 128.5963 60.4948 30.7395 177.0883 9 N 4.0549 8.4805 116.8904 56.9164 38.1331 176.5008 10 A 4.0676 7.9779 119.9791 54.1397 18.5258 178.6731 11 R 4.2074 7.3041 114.4439 55.5740 29.8396 176.6298 12 Q 4.0940 6.9142 118.9076 54.5063 29.8247 176.9144 13 R 3.9955 8.3538 119.8139 58.9777 30.1714 176.5529 14 R 4.4788 7.1581 114.2434 53.0057 30.4261 171.9102 15 P 4.4328 0.0000 0.0000 62.4987 32.0164 176.0631 16 R 4.6581 8.5342 120.9131 53.6273 33.1392 176.3896 17 S 4.2163 8.1905 113.2549 58.8749 64.5706 175.2647 18 L 3.9486 8.4099 123.5001 57.9358 41.3942 179.4205 19 E 3.8888 8.0767 118.9031 59.3559 29.5006 178.7903 20 T 3.5394 7.5074 115.3199 66.4880 68.5040 176.5523 21 V 2.9466 6.9164 119.4700 65.9094 31.4772 178.1446 22 R 3.9787 8.0145 117.6753 59.4066 29.8461 179.1660 23 R 3.9451 8.0136 117.7294 59.0490 29.9796 178.8380 24 W 4.5804 8.1314 118.8516 60.0376 29.1394 178.5482 25 V 3.4199 7.8656 117.6936 66.2648 30.7029 178.0981 26 R 4.0162 7.8992 116.1659 59.1479 29.9867 177.9260 27 E 4.3761 8.3175 115.4791 55.4233 29.9193 176.2558 28 S 3.7372 7.8687 114.0174 59.9354 60.7600 172.2255 29 R 4.3829 8.3307 119.8630 56.5589 31.2433 175.1163 30 I 4.8258 7.5880 119.0744 60.1379 39.2459 174.5300 31 F 4.8989 9.2424 129.7178 55.7748 41.6818 172.9643 32 P 4.1084 0.0000 0.0000 60.8789 32.3773 174.5592 33 P 4.1382 0.0000 0.0000 62.1584 31.6520 174.9356 34 P 4.1998 0.0000 0.0000 62.8445 32.0344 176.1916 35 V 4.0972 8.1888 116.0431 60.3771 33.5611 175.4241 36 K 4.5469 8.5441 126.2275 55.0277 32.8433 175.6622 37 D 4.4934 8.7246 129.5818 53.3227 42.3770 178.6711 38 G 3.9032 8.8323 119.5960 46.7465 0.0000 174.0045 39 R 4.2816 9.1248 120.7805 55.9583 31.1240 176.1671 40 E 4.7297 7.9088 116.9799 54.4255 33.1048 174.8292 41 Y 4.8337 8.5482 118.8776 58.0577 39.2934 174.8280 42 L 4.9875 9.0098 123.8538 53.1351 44.3649 175.4411 43 F 4.7599 9.7341 123.6840 56.2460 40.9593 175.3909 44 H 4.4224 8.8078 120.3031 55.7119 29.1970 176.1129 45 E 4.0369 8.2803 121.0802 59.2347 29.5454 177.8383 46 S 4.6710 8.0282 110.1811 57.8607 63.4498 173.6947 47 A 4.4486 8.1152 123.5623 52.7946 18.7298 177.9050 48 V 4.8998 8.9858 114.2282 59.4273 36.2551 174.4958 49 K 4.9059 8.8202 123.5374 55.6958 33.0356 176.1028 50 V 4.5465 8.9244 120.3856 59.5490 35.2174 174.4685 51 D 4.6937 8.5387 122.1533 52.7210 42.3931 176.3808 52 L 4.2628 8.4119 125.2871 54.9179 41.8665 176.2803 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 4.46 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 2 Y 8.43 4.46 0.00 3.02 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 3 L 9.30 5.17 0.00 1.77 1.70 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.62 4.46 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 5 L 8.86 3.33 0.00 2.02 1.81 1.18 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.03 3.96 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 7 E 8.03 3.88 0.00 2.03 2.21 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 2.38 2.34 0.00 8 W 8.27 4.14 0.00 3.23 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.05 0.00 3.05 2.99 0.00 0.00 7.18 8.92 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 10 A 7.98 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.30 4.21 0.00 1.69 1.82 0.00 3.13 0.00 0.00 3.19 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 12 Q 6.91 4.09 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 1.53 1.29 0.00 13 R 8.35 4.00 0.00 1.72 1.92 0.00 3.16 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 14 R 7.16 4.48 0.00 1.72 1.81 0.00 3.39 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 15 P 0.00 4.43 0.00 2.05 2.02 0.00 3.66 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 1.99 2.16 0.00 16 R 8.53 4.66 0.00 1.47 1.69 0.00 3.40 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 17 S 8.19 4.22 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.41 3.95 0.00 1.69 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.08 3.89 0.00 2.04 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 0.00 2.35 2.43 0.00 20 T 7.51 3.54 4.01 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 0.00 0.00 0.63 0.00 0.00 21 V 6.92 2.95 2.13 0.00 0.00 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 0.00 0.00 0.85 0.00 0.00 22 R 8.01 3.98 0.00 2.08 2.05 0.00 3.40 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 23 R 8.01 3.95 0.00 1.97 2.20 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 24 W 8.13 4.58 0.00 3.60 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.42 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.63 0.00 0.00 26 R 7.90 4.02 0.00 1.98 2.04 0.00 3.24 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 27 E 8.32 4.38 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 28 S 7.87 3.74 0.00 4.05 3.97 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 0.00 0.00 0.00 29 R 8.33 4.38 0.00 1.94 2.04 0.00 3.04 0.00 0.00 3.07 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.56 0.00 30 I 7.59 4.83 1.58 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 1.23 0.86 0.49 0.00 0.00 31 F 9.24 4.90 0.00 3.02 2.94 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 32 P 0.00 4.11 0.00 1.69 1.32 0.00 3.49 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.33 0.00 33 P 0.00 4.14 0.00 1.97 1.93 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 34 P 0.00 4.20 0.00 1.03 1.10 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 35 V 8.19 4.10 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 0.67 0.00 0.00 0.68 0.00 0.00 36 K 8.54 4.55 0.00 1.50 1.58 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.01 7.81 37 D 8.72 4.49 0.00 2.58 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.83 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 0.00 0.00 0.00 39 R 9.12 4.28 0.00 1.86 2.00 0.00 2.95 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 40 E 7.91 4.73 0.00 1.99 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 2.18 2.41 0.00 41 Y 8.55 4.83 0.00 3.11 2.87 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 0.00 0.00 0.00 0.00 42 L 9.01 4.99 0.00 0.94 0.93 0.53 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 43 F 9.73 4.76 0.00 3.11 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 44 H 8.81 4.42 0.00 3.05 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.28 4.04 0.00 2.23 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 2.40 2.36 0.00 46 S 8.03 4.67 0.00 4.05 3.97 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 0.00 0.00 0.00 47 A 8.12 4.45 1.26 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 0.00 0.00 0.00 48 V 8.99 4.90 2.22 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 0.87 0.00 0.00 1.17 0.00 0.00 49 K 8.82 4.91 0.00 1.85 1.64 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.01 0.97 7.81 50 V 8.92 4.55 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 51 D 8.54 4.69 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.41 4.26 0.00 1.63 1.53 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00