NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 336 M 4.4215 8.3044 118.1997 54.3510 32.8454 174.9984 337 D 4.1756 8.5185 117.4167 54.3727 42.4750 175.7793 338 R 4.0949 8.8350 126.4705 59.3614 30.6545 178.2629 339 R 3.8973 7.9150 118.3210 59.3781 30.1213 178.1340 340 Q 3.9754 7.9531 118.9552 59.0637 29.1732 177.7654 341 K 3.9796 8.6647 121.1104 59.5829 32.1440 178.7751 342 R 4.0303 8.0029 118.8563 59.1595 29.9652 178.1297 343 L 3.9798 7.9454 120.2046 58.3066 42.0839 179.0639 344 I 3.6871 8.1243 119.9642 64.3412 37.0277 178.3881 345 F 4.0774 8.2197 118.7881 60.7503 38.6236 178.0260 346 S 4.3021 8.4896 112.5590 61.3607 62.9393 176.4910 347 T 4.0530 8.1117 119.8727 66.8102 68.0889 176.9080 348 I 3.8076 8.0565 120.9177 63.9537 37.4568 177.6723 349 T 4.4690 8.0287 108.9118 62.0064 68.9194 176.7956 350 S 4.1888 7.7373 117.1148 60.9952 63.1945 175.2010 351 K 4.3394 7.9677 117.5744 56.5430 32.4048 176.1728 352 M 4.4719 7.5797 119.0530 54.4741 33.4764 176.0335 353 N 4.8249 8.2330 119.9910 52.3978 38.3937 173.1073 354 L 5.0037 8.0444 122.6724 53.2769 43.5794 176.6024 355 S 4.3177 8.7959 117.0930 58.1312 63.8657 175.1803 356 E 4.0089 8.9139 120.9401 59.4534 29.3379 178.3932 357 E 4.1340 8.0277 114.6612 57.5363 30.3018 177.2568 358 V 3.5977 7.3784 120.0011 62.9830 32.1717 174.8941 359 D 4.5634 8.2859 124.8301 51.5583 42.5933 175.8209 360 L 3.9046 8.2335 127.7807 57.0218 41.5427 178.7548 361 E 3.7724 8.7210 119.9097 58.8272 29.1998 178.2697 362 D 3.9460 7.3192 118.4712 57.0203 40.9180 177.6665 363 Y 3.9096 6.6989 116.7333 59.9927 38.0550 177.9493 364 V 3.5534 7.3292 117.8489 65.8992 31.6318 176.5704 365 A 4.1844 7.7387 120.0381 53.2275 18.5649 177.9008 366 R 4.1431 7.4057 115.5593 55.1748 30.5884 175.4636 367 P 4.4297 0.0000 0.0000 64.9623 31.8670 176.7844 368 D 4.3897 8.1708 119.3060 54.5000 41.0945 175.9864 369 K 4.3039 8.6578 124.0031 55.7787 32.2102 176.3120 370 I 4.7018 8.1092 117.1279 58.4515 40.7571 175.8032 371 S 4.6796 9.2014 118.0310 57.3317 65.7782 175.6267 372 G 3.5796 8.4602 107.8269 47.6185 0.0000 175.7700 373 A 4.0178 7.8603 122.7146 55.0599 18.4306 179.2343 374 D 4.2232 7.9884 117.5146 57.5437 40.7995 179.0698 375 I 3.3204 7.5198 119.9725 64.2870 36.9921 178.2684 376 N 4.2520 7.8414 116.8840 56.3356 38.3511 177.7637 377 S 4.0893 8.2320 116.8590 61.5277 62.9539 176.5474 378 I 3.6890 8.3124 123.1522 64.7963 37.0059 178.2877 379 C 4.2845 8.3142 117.4584 62.9153 27.9737 176.2557 380 Q 3.9602 8.1841 119.6932 58.9311 28.2356 178.3374 381 E 3.9116 8.6936 120.6588 59.2300 29.6438 179.1042 382 S 3.8916 7.9620 115.4710 61.3374 62.7208 176.8610 383 G 3.6408 7.7598 107.9319 47.9445 0.0000 175.6394 384 M 4.0360 7.9942 121.0892 58.2291 31.7820 178.8607 385 L 3.9244 7.9513 117.9150 57.5089 41.9349 179.1940 386 A 4.0731 7.8942 120.7107 55.3066 18.3254 179.6942 387 V 3.5450 7.8910 116.7362 66.4312 31.2651 178.3763 388 R 3.9988 8.0080 116.7198 58.3843 30.1349 177.7603 389 E 4.5158 8.3070 117.5669 55.0761 29.4738 175.9096 390 N 4.2168 8.0264 114.6870 54.0452 36.9304 173.6194 391 R 4.5596 7.4329 117.3240 55.1020 31.1258 175.7346 392 Y 4.4759 8.7609 122.0472 57.2160 38.9804 174.7260 393 I 4.1457 6.9293 121.1109 59.2684 40.0080 174.5545 394 V 4.3358 8.9759 129.2637 61.8049 33.4093 174.7941 395 L 5.1170 9.3322 126.4758 52.5741 44.9593 177.3520 396 A 4.2117 8.8507 121.7405 55.5869 18.1638 179.9903 397 K 3.9366 8.1434 116.6586 60.3067 32.5145 178.9624 398 D 4.2643 8.0099 119.9395 57.1217 40.7230 178.7420 399 F 3.8761 7.9160 119.0545 59.8475 38.9460 177.2291 400 E 4.0917 8.5163 118.4449 59.3929 29.3200 179.3268 401 K 3.8713 8.1866 119.0912 59.6078 32.3015 178.5893 402 A 3.9586 8.3658 121.3498 55.2017 18.2810 178.7982 403 Y 3.9313 8.4837 118.3904 60.9282 38.6736 178.4542 404 K 4.0967 8.0317 118.9762 59.7116 32.3182 178.7071 405 T 3.9978 7.6513 115.2426 66.6833 68.5234 176.6272 406 V 3.8151 7.5914 118.6183 65.3575 32.6187 177.8279 407 I 3.7774 7.2454 123.7276 61.4442 34.8013 176.5429 408 K 4.1981 8.1633 122.8712 56.6593 31.7357 176.0447 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 336 M 8.30 4.42 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 337 D 8.52 4.18 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 338 R 8.84 4.09 0.00 1.94 1.92 0.00 3.24 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 339 R 7.92 3.90 0.00 1.93 1.92 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 340 Q 7.95 3.98 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 341 K 8.66 3.98 0.00 2.03 2.08 0.00 1.95 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.83 1.65 7.81 342 R 8.00 4.03 0.00 2.10 2.11 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 343 L 7.95 3.98 0.00 1.98 1.82 0.93 1.00 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 0.00 344 I 8.12 3.69 1.81 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 1.76 0.67 0.79 0.00 0.00 345 F 8.22 4.08 0.00 3.45 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 0.00 346 S 8.49 4.30 0.00 4.02 4.04 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 0.00 0.00 0.00 347 T 8.11 4.05 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 348 I 8.06 3.81 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.73 0.92 0.00 0.00 349 T 8.03 4.47 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 350 S 7.74 4.19 0.00 3.98 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 0.00 351 K 7.97 4.34 0.00 1.79 1.91 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.41 7.81 352 M 7.58 4.47 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.50 0.00 353 N 8.23 4.82 0.00 2.89 2.82 0.00 0.00 6.88 6.66 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 0.00 354 L 8.04 5.00 0.00 1.60 1.62 1.15 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 355 S 8.80 4.32 0.00 4.08 3.96 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 0.00 0.00 0.00 356 E 8.91 4.01 0.00 1.98 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 2.32 2.26 0.00 357 E 8.03 4.13 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 358 V 7.38 3.60 2.19 0.00 0.00 0.00 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 1.03 0.00 0.00 359 D 8.29 4.56 0.00 2.65 2.36 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 0.00 360 L 8.23 3.90 0.00 1.55 1.33 0.90 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 361 E 8.72 3.77 0.00 1.98 1.93 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 2.21 2.26 0.00 362 D 7.32 3.95 0.00 1.69 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 363 Y 6.70 3.91 0.00 2.47 2.95 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 0.00 364 V 7.33 3.55 1.94 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 0.83 0.00 0.00 0.83 0.00 0.00 365 A 7.74 4.18 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 0.00 366 R 7.41 4.14 0.00 2.01 1.91 0.00 2.23 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 367 P 0.00 4.43 0.00 2.21 2.20 0.00 3.81 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 2.04 2.01 0.00 368 D 8.17 4.39 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 369 K 8.66 4.30 0.00 1.77 1.79 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 370 I 8.11 4.70 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 0.94 0.00 0.00 371 S 9.20 4.68 0.00 3.99 4.02 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 0.00 0.00 0.00 372 G 8.46 3.58 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 0.00 373 A 7.86 4.02 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 0.00 374 D 7.99 4.22 0.00 2.80 2.63 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 0.00 375 I 7.52 3.32 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.62 -0.40 0.00 0.00 376 N 7.84 4.25 0.00 2.83 2.81 0.00 0.00 7.05 8.29 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 0.00 377 S 8.23 4.09 0.00 3.92 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 0.00 378 I 8.31 3.69 2.13 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 1.50 0.87 1.23 0.00 0.00 379 C 8.31 4.28 0.00 3.12 3.06 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 0.00 0.00 0.00 380 Q 8.18 3.96 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 381 E 8.69 3.91 0.00 2.06 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 2.26 2.33 0.00 382 S 7.96 3.89 0.00 3.49 2.86 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 0.00 383 G 7.76 3.64 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 0.00 0.00 0.00 384 M 7.99 4.04 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.84 0.00 385 L 7.95 3.92 0.00 1.63 1.67 0.89 0.84 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 0.00 386 A 7.89 4.07 1.43 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 0.00 0.00 387 V 7.89 3.54 2.23 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 1.11 0.00 0.00 0.93 0.00 0.00 388 R 8.01 4.00 0.00 1.99 1.98 0.00 3.18 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 389 E 8.31 4.52 0.00 2.11 1.94 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 2.25 2.31 0.00 390 N 8.03 4.22 0.00 2.85 2.90 0.00 0.00 6.73 7.36 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 0.00 391 R 7.43 4.56 0.00 2.04 1.98 0.00 3.21 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.52 0.00 392 Y 8.76 4.48 0.00 3.16 3.04 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 0.00 0.00 0.00 393 I 6.93 4.15 1.08 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.57 0.75 0.00 0.00 394 V 8.98 4.34 2.16 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 0.78 0.00 0.00 0.88 0.00 0.00 395 L 9.33 5.12 0.00 1.57 1.57 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 396 A 8.85 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 397 K 8.14 3.94 0.00 2.01 2.12 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 398 D 8.01 4.26 0.00 2.62 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 0.00 399 F 7.92 3.88 0.00 3.20 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 0.00 0.00 0.00 400 E 8.52 4.09 0.00 2.20 2.10 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 2.55 2.58 0.00 401 K 8.19 3.87 0.00 2.07 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 402 A 8.37 3.96 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 0.00 403 Y 8.48 3.93 0.00 3.11 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 0.00 404 K 8.03 4.10 0.00 2.09 2.00 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.57 7.81 405 T 7.65 4.00 4.36 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 1.19 0.00 0.00 406 V 7.59 3.82 1.95 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 0.79 0.00 0.00 0.92 0.00 0.00 407 I 7.25 3.78 1.61 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.32 0.85 0.00 0.00 408 K 8.16 4.20 0.00 1.92 1.83 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.40 7.81