NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 401 T 4.4905 8.1593 117.3247 62.8790 70.1064 173.4766 402 P 4.4140 0.0000 0.0000 61.8972 33.1853 173.6861 403 D 4.6352 8.7267 121.0066 54.9778 41.5210 177.1406 404 C 4.7344 8.9679 122.5582 57.8947 45.0760 174.0784 405 V 4.6843 7.2530 110.0331 60.2620 35.9725 173.2406 406 T 4.9081 8.7801 119.0753 61.0960 72.0704 173.7497 407 G 3.9450 8.2087 112.1849 46.1712 0.0000 171.8295 408 K 4.8599 8.3159 118.8532 55.2127 33.2390 177.6839 409 V 3.9370 8.1638 122.4295 62.2838 31.7491 175.5196 410 E 4.2926 9.0441 130.4016 59.2762 30.1639 175.8091 411 Y 5.0117 7.0088 115.1662 56.5669 41.2743 172.9456 412 T 5.0766 8.5227 108.8898 60.0750 72.6207 173.0784 413 K 4.5165 8.3465 123.0545 55.0656 36.0704 174.0172 414 Y 4.7282 8.7004 128.3202 56.5800 40.4824 174.1359 415 N 4.9794 8.0148 123.8387 51.2760 40.7657 175.6637 416 D 4.5411 8.6201 120.0544 57.0917 41.4042 176.7161 417 D 4.6431 7.9537 116.5139 53.0622 39.5036 176.7074 418 D 4.2316 8.5190 117.8800 55.2589 39.2938 174.0409 419 T 4.5395 7.8294 110.9078 61.1254 71.1150 173.1064 420 F 5.2833 9.2484 123.0241 56.8064 42.8573 173.2565 421 T 5.2919 8.5962 122.4547 61.9752 71.2552 173.7991 422 V 4.7577 9.0675 118.3068 59.3351 35.9549 174.4188 423 K 4.6725 8.1431 124.8469 54.6135 34.1793 175.0867 424 V 4.5251 8.1242 127.1856 61.1056 34.6370 174.7821 425 G 3.6832 8.8455 116.3368 47.3729 0.0000 173.5843 426 D 4.7972 8.7447 124.4778 52.6195 39.8098 175.8505 427 K 4.6503 7.8835 119.5114 54.9997 35.5299 174.8579 428 E 4.9803 9.0701 124.3406 55.4108 31.1862 175.4207 429 L 5.5490 8.9856 123.6506 52.9726 46.5126 175.4575 430 F 5.6869 9.3529 115.9856 55.5427 41.7939 173.4967 431 T 4.5610 9.0325 114.2859 60.2035 70.5839 173.8640 432 N 4.9147 8.6350 122.8144 52.7335 38.3763 175.0815 433 R 4.2905 7.8331 120.2445 55.2829 30.2226 177.0133 434 W 4.3691 9.2045 124.7702 59.9581 29.4103 177.9220 435 N 4.3742 8.4976 116.3151 56.3020 36.4054 176.7080 436 L 4.2291 8.0243 119.9166 56.6923 41.6827 179.1664 437 Q 2.9482 7.9021 118.8141 58.8311 28.5390 178.6519 438 S 4.0350 7.8569 115.4008 61.7357 62.7807 176.8509 439 L 3.8296 7.2952 120.6983 57.6947 41.2889 179.5748 440 L 4.3182 8.5482 119.4987 57.7281 41.6334 179.3017 441 L 4.1579 8.2788 120.5245 58.2072 42.0116 179.0934 442 S 4.1153 8.4063 115.1507 61.6703 62.8763 176.5589 443 A 4.0976 8.4306 123.6695 55.1331 17.9769 179.4101 444 Q 3.9561 8.4078 118.0740 59.4372 28.9615 178.5157 445 I 3.7897 8.1156 119.9389 64.5068 37.3621 177.8573 446 T 4.3563 8.2327 107.4062 61.3574 69.1082 175.3750 447 G 3.9154 7.7040 109.7711 46.4234 0.0000 173.8399 448 M 4.3401 7.7417 118.7116 55.5007 33.3950 175.5538 449 T 4.6009 8.5177 118.5974 62.8775 70.3514 174.4700 450 V 4.8523 8.8622 118.9145 59.7474 35.9827 174.5935 451 T 4.8568 8.5384 119.5466 61.9042 71.4261 173.0421 452 I 4.5195 8.4663 127.7444 59.4968 39.3240 174.7324 453 K 4.8503 8.2509 126.4136 54.9864 33.9934 175.5234 454 T 4.3994 8.1207 117.0023 61.6343 70.2581 173.1259 455 N 4.4441 8.9663 123.0222 55.5675 39.8822 175.8692 456 A 4.4056 7.8903 123.3833 51.6711 17.9259 177.8611 457 C 4.5825 7.6143 123.0997 54.4807 39.0435 171.5362 458 H 4.7813 7.5328 117.0009 53.4751 30.8766 173.6258 459 N 4.4256 8.8169 119.2431 55.8076 38.8240 175.2786 460 G 4.0871 9.5665 114.1172 45.3322 0.0000 173.6705 461 G 4.1154 8.3147 107.5739 45.7375 0.0000 173.2361 462 T 4.1995 8.0486 115.4669 60.8954 68.9455 173.2806 463 F 5.0242 7.8445 118.5004 56.1736 40.7772 174.3792 464 S 4.4287 8.7803 110.8606 57.6857 65.0091 173.1980 465 E 4.8415 8.3164 121.3286 54.7982 32.3993 174.9961 466 V 4.7599 8.3684 122.9542 61.3007 35.1445 173.8152 467 I 4.4181 8.5762 128.1264 59.5963 39.4752 174.3705 468 F 4.9165 8.8344 125.8017 55.9786 40.7102 176.1324 469 R 4.3449 9.0876 122.3709 56.3587 30.9508 175.3333 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 401 T 8.16 4.49 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 402 P 0.00 4.41 0.00 2.18 2.16 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 403 D 8.73 4.64 0.00 2.55 2.59 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 0.00 404 C 8.97 4.73 0.00 2.88 3.13 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 0.00 0.00 0.00 0.00 405 V 7.25 4.68 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 0.60 0.00 0.00 0.76 0.00 0.00 406 T 8.78 4.91 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 407 G 8.21 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 0.00 408 K 8.32 4.86 0.00 1.65 1.76 0.00 1.80 0.00 0.00 2.30 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.27 7.81 409 V 8.16 3.94 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 0.80 0.00 0.00 0.97 0.00 0.00 410 E 9.04 4.29 0.00 1.95 1.83 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 2.61 2.36 0.00 411 Y 7.01 5.01 0.00 3.07 3.03 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 0.00 0.00 0.00 412 T 8.52 5.08 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 1.41 0.00 0.00 413 K 8.35 4.52 0.00 1.79 1.57 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 414 Y 8.70 4.73 0.00 3.31 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 0.00 415 N 8.01 4.98 0.00 2.83 2.57 0.00 0.00 6.25 7.59 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 0.00 416 D 8.62 4.54 0.00 2.63 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 0.00 417 D 7.95 4.64 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 418 D 8.52 4.23 0.00 2.96 2.77 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 0.00 419 T 7.83 4.54 4.68 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 0.00 0.00 0.00 1.47 0.00 0.00 420 F 9.25 5.28 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 421 T 8.60 5.29 4.17 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 1.31 0.00 0.00 422 V 9.07 4.76 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 0.96 0.00 0.00 0.88 0.00 0.00 423 K 8.14 4.67 0.00 0.79 0.74 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.10 1.16 7.81 424 V 8.12 4.53 1.91 0.00 0.00 0.00 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 0.78 0.00 0.00 425 G 8.85 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 D 8.74 4.80 0.00 2.79 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 0.00 427 K 7.88 4.65 0.00 1.59 1.65 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.46 7.81 428 E 9.07 4.98 0.00 2.13 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 2.28 2.35 0.00 429 L 8.99 5.55 0.00 1.43 1.62 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 430 F 9.35 5.69 0.00 3.15 3.13 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 0.00 0.00 0.00 0.00 431 T 9.03 4.56 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 1.11 0.00 0.00 432 N 8.63 4.91 0.00 2.97 3.00 0.00 0.00 6.11 7.66 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 0.00 433 R 7.83 4.29 0.00 1.86 2.20 0.00 3.26 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 434 W 9.20 4.37 0.00 3.39 3.24 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 0.00 435 N 8.50 4.37 0.00 2.94 3.15 0.00 0.00 6.26 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 436 L 8.02 4.23 0.00 1.95 1.91 0.97 1.07 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 0.00 437 Q 7.90 2.95 0.00 1.85 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 1.96 2.43 0.00 438 S 7.86 4.03 0.00 3.80 3.87 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 0.00 439 L 7.30 3.83 0.00 1.88 1.09 0.83 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 440 L 8.55 4.32 0.00 1.99 2.11 1.42 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 441 L 8.28 4.16 0.00 1.93 1.72 1.14 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 442 S 8.41 4.12 0.00 4.03 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 0.00 443 A 8.43 4.10 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 0.00 0.00 0.00 0.00 0.00 444 Q 8.41 3.96 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 445 I 8.12 3.79 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.86 0.93 0.00 0.00 446 T 8.23 4.36 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 1.27 0.00 0.00 447 G 7.70 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 448 M 7.74 4.34 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 449 T 8.52 4.60 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 450 V 8.86 4.85 1.76 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 0.73 0.00 0.00 0.84 0.00 0.00 451 T 8.54 4.86 4.14 0.00 0.00 0.00 0.00 0.00 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 0.00 452 I 8.47 4.52 1.52 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.27 0.20 0.00 0.00 453 K 8.25 4.85 0.00 1.59 1.79 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.28 7.81 454 T 8.12 4.40 4.30 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 1.21 0.00 0.00 455 N 8.97 4.44 0.00 2.74 2.86 0.00 0.00 6.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 456 A 7.89 4.41 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 0.00 457 C 7.61 4.58 0.00 3.08 3.02 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 0.00 458 H 7.53 4.78 0.00 3.38 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 459 N 8.82 4.43 0.00 2.72 2.86 0.00 0.00 7.12 7.98 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 0.00 460 G 9.57 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 461 G 8.31 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 462 T 8.05 4.20 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 1.08 0.00 0.00 463 F 7.84 5.02 0.00 2.99 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 0.00 464 S 8.78 4.43 0.00 3.87 3.81 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 0.00 465 E 8.32 4.84 0.00 2.13 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 0.00 2.30 2.28 0.00 466 V 8.37 4.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 467 I 8.58 4.42 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.91 0.00 0.00 468 F 8.83 4.92 0.00 2.97 3.01 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 0.00 469 R 9.09 4.34 0.00 1.80 1.77 0.00 3.14 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00