NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 402 I 4.1629 8.0249 121.4561 61.4733 38.3451 174.5052 403 H 4.6396 8.8160 123.1451 53.5672 30.4194 172.9264 404 S 4.6701 8.0392 119.5785 57.6126 65.5911 171.7455 405 S 4.6670 8.2636 111.0100 57.7552 66.4259 173.1846 406 V 4.8014 8.2748 120.3790 61.3088 32.9356 174.6821 407 K 4.7622 8.9915 126.0363 54.6097 37.3687 175.1573 408 R 4.6544 8.5925 121.9199 55.4450 30.8129 175.6755 409 W 4.8102 9.5871 135.0000 56.2821 31.9001 176.2599 410 G 3.8357 8.3854 118.6067 47.2166 0.0000 173.6318 411 N 4.6663 8.8205 122.1301 53.1345 39.1162 174.1832 412 S 4.8689 7.7958 113.7616 55.4949 65.8205 171.5231 413 P 5.0161 0.0000 0.0000 62.8946 32.2134 175.7400 414 A 4.7632 9.2062 124.0521 50.8956 22.8878 175.4934 415 V 5.2972 8.2604 121.2070 60.1357 34.8460 176.4955 416 R 4.2879 8.5416 124.4907 55.9093 28.1843 175.4529 417 I 4.6820 7.6192 123.0365 57.8279 41.6387 174.6591 418 P 4.3712 0.0000 0.0000 65.6958 30.9972 179.9694 419 A 3.9415 7.7566 115.9560 52.7822 18.3698 179.3834 420 T 3.8031 7.9737 114.0814 66.2936 69.3963 173.4564 421 L 4.7871 8.0166 131.0632 53.6073 42.5200 179.1409 422 M 4.7055 9.0901 113.6694 54.8094 31.7941 177.0984 423 Q 4.2256 8.5196 112.7765 56.6063 28.4053 177.4541 424 A 3.9934 7.8960 125.9982 54.5849 18.4937 179.1757 425 L 4.5581 7.3836 115.6930 55.0289 42.3365 176.4060 426 N 4.3095 7.9121 111.1112 53.3770 36.6367 174.5018 427 L 4.6944 7.4982 117.5842 53.9100 43.2527 175.4412 428 N 5.1446 9.1018 117.1741 51.1151 42.6946 174.3704 429 I 3.8704 8.0527 120.4762 63.0075 37.5599 176.1820 430 D 4.6973 8.9460 122.2433 54.5175 39.5591 173.6111 431 D 4.6321 7.6375 116.7008 54.0995 41.5178 176.1823 432 E 4.3654 8.4599 122.0946 56.3592 30.4687 176.2564 433 V 4.7368 7.9003 113.2025 59.9039 36.3068 174.5166 434 K 4.5673 9.6408 122.5749 55.0469 34.6506 175.8426 435 I 5.3705 8.2307 124.2461 58.5855 37.2659 172.6513 436 D 4.8033 8.3009 125.3360 52.4886 42.8127 174.7257 437 L 4.7190 8.4828 126.1293 53.7719 43.3392 175.7061 438 V 4.5320 8.1495 124.3191 61.2985 36.4155 179.4591 439 D 4.2138 8.3416 123.1965 54.3557 40.9079 174.7743 440 G 4.0834 9.0814 102.9924 44.5499 0.0000 171.9673 441 K 4.4588 7.8838 119.0782 53.5834 34.0283 175.9451 442 L 4.0761 8.6249 126.4962 55.6915 42.6419 176.0493 443 I 4.6622 7.9811 123.6120 59.6552 40.2344 174.7110 444 I 5.2672 8.2237 125.6848 59.7131 40.6043 174.2769 445 E 4.8098 9.7386 124.5598 54.0983 33.4924 173.0146 446 P 4.6434 0.0000 0.0000 62.3168 32.4793 176.1684 447 V 4.0809 8.1906 120.9513 62.1080 32.6252 175.6399 448 R 4.3137 8.4404 125.4030 57.4220 31.1230 176.7480 449 K 4.3372 7.7889 116.6172 55.7159 32.9425 175.7249 450 E 4.7629 8.2480 121.4351 53.6372 33.7612 173.2230 451 P 4.1911 0.0000 0.0000 62.9165 31.7873 175.9434 452 V 4.2862 7.6837 119.7741 61.0012 34.0150 174.5345 453 F 5.1253 8.6559 124.4609 55.5835 42.5294 174.7389 454 T 4.7278 8.5273 112.6149 59.7030 72.2230 175.3927 455 L 3.9251 8.3651 123.1399 58.3137 42.1657 178.9832 456 A 4.0113 8.0467 120.4320 55.2754 18.1418 179.2878 457 E 3.9484 8.0941 114.7435 59.4280 30.0251 179.1969 458 L 4.1027 7.8040 119.7547 57.6133 41.8829 179.4852 459 V 3.6123 8.0261 118.4239 66.1377 31.2362 177.7797 460 N 4.4385 8.2557 115.1726 55.8086 38.4243 176.1055 461 D 4.6396 7.6113 117.7269 53.7051 41.6268 176.5914 462 I 4.1380 7.1791 122.0637 61.1102 37.8582 175.3119 463 T 4.7783 9.1203 114.1772 58.8886 71.8432 173.2297 464 P 4.2805 0.0000 0.0000 65.5208 31.5277 178.0761 465 E 4.1142 8.1705 117.1120 58.3774 29.6134 177.0210 466 N 4.6474 7.9040 113.6413 52.2339 38.0937 175.0685 467 L 4.0510 7.4448 122.2507 55.6126 42.7020 175.6512 468 H 4.8551 8.4445 122.1584 54.0891 30.6800 174.7292 469 E 4.3274 8.3792 121.8785 55.5336 30.3118 176.4409 470 N 4.5257 8.4115 118.2204 53.0420 39.1505 175.6739 471 I 3.4940 8.2022 123.7892 61.3959 37.6618 175.3443 472 D 4.6567 8.1538 124.2557 52.6667 40.6458 176.2220 473 W 4.1278 8.8169 127.2460 57.2724 29.7190 178.0220 474 G 3.9579 8.4566 106.9272 44.7250 0.0000 172.4208 475 E 4.7883 8.2644 116.3235 53.8510 33.6439 173.6867 476 P 4.4434 0.0000 0.0000 63.1803 31.5532 176.2082 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 402 I 8.02 4.16 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.92 0.00 0.00 403 H 8.82 4.64 0.00 3.18 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 404 S 8.04 4.67 0.00 3.76 3.69 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 0.00 405 S 8.26 4.67 0.00 3.89 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 0.00 406 V 8.27 4.80 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 0.86 0.00 0.00 0.94 0.00 0.00 407 K 8.99 4.76 0.00 1.69 1.65 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.36 7.81 408 R 8.59 4.65 0.00 1.84 1.90 0.00 3.39 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 409 W 9.59 4.81 0.00 3.29 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 0.00 410 G 8.39 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 411 N 8.82 4.67 0.00 2.67 2.83 0.00 0.00 6.46 7.57 0.00 0.00 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 S 7.80 4.87 0.00 3.82 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 0.00 413 P 0.00 5.02 0.00 2.01 2.00 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 414 A 9.21 4.76 1.47 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 0.00 0.00 415 V 8.26 5.30 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 0.85 0.00 0.00 0.96 0.00 0.00 416 R 8.54 4.29 0.00 1.69 1.83 0.00 3.13 0.00 0.00 3.13 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 417 I 7.62 4.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.91 0.00 0.00 418 P 0.00 4.37 0.00 2.14 2.06 0.00 3.60 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 2.10 2.14 0.00 419 A 7.76 3.94 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 0.00 420 T 7.97 3.80 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 1.20 0.00 0.00 421 L 8.02 4.79 0.00 1.78 1.26 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 422 M 9.09 4.71 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.78 0.00 423 Q 8.52 4.23 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 424 A 7.90 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 0.00 425 L 7.38 4.56 0.00 1.77 1.64 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 426 N 7.91 4.31 0.00 2.87 2.93 0.00 0.00 6.82 8.95 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 0.00 427 L 7.50 4.69 0.00 1.68 1.60 0.93 0.74 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 0.00 428 N 9.10 5.14 0.00 2.68 2.66 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 429 I 8.05 3.87 1.90 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 1.32 0.76 0.96 0.00 0.00 430 D 8.95 4.70 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 431 D 7.64 4.63 0.00 2.86 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 0.00 432 E 8.46 4.37 0.00 1.97 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 2.31 2.34 0.00 433 V 7.90 4.74 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 0.74 0.00 0.00 0.95 0.00 0.00 434 K 9.64 4.57 0.00 1.56 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.39 7.81 435 I 8.23 5.37 1.88 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 1.37 1.03 0.94 0.00 0.00 436 D 8.30 4.80 0.00 2.59 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 0.00 437 L 8.48 4.72 0.00 1.63 1.56 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 438 V 8.15 4.53 2.08 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 1.00 0.00 0.00 0.93 0.00 0.00 439 D 8.34 4.21 0.00 2.89 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 0.00 0.00 0.00 0.00 440 G 9.08 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 0.00 441 K 7.88 4.46 0.00 1.67 1.72 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.32 7.81 442 L 8.62 4.08 0.00 1.64 1.59 0.93 1.06 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 0.00 443 I 7.98 4.66 2.16 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.91 0.00 0.00 444 I 8.22 5.27 1.88 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 1.41 0.60 0.93 0.00 0.00 445 E 9.74 4.81 0.00 1.93 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 2.33 2.29 0.00 446 P 0.00 4.64 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 447 V 8.19 4.08 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 0.85 0.00 0.00 0.94 0.00 0.00 448 R 8.44 4.31 0.00 1.78 1.92 0.00 3.33 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 449 K 7.79 4.34 0.00 1.77 1.70 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 450 E 8.25 4.76 0.00 1.89 1.80 0.00 0.00 0.00 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 2.29 0.00 451 P 0.00 4.19 0.00 2.08 2.00 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 452 V 7.68 4.29 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 0.82 0.00 0.00 0.92 0.00 0.00 453 F 8.66 5.13 0.00 3.03 2.92 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 0.00 454 T 8.53 4.73 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 1.24 0.00 0.00 455 L 8.37 3.93 0.00 1.80 1.72 0.93 1.04 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 0.00 456 A 8.05 4.01 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 0.00 457 E 8.09 3.95 0.00 2.21 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 0.00 2.71 2.48 0.00 458 L 7.80 4.10 0.00 1.65 1.68 0.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 459 V 8.03 3.61 2.17 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 1.04 0.00 0.00 0.97 0.00 0.00 460 N 8.26 4.44 0.00 2.81 2.88 0.00 0.00 7.07 7.71 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 0.00 461 D 7.61 4.64 0.00 2.82 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 0.00 462 I 7.18 4.14 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.91 0.00 0.00 463 T 9.12 4.78 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 1.27 0.00 0.00 464 P 0.00 4.28 0.00 2.05 2.15 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 465 E 8.17 4.11 0.00 1.92 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 0.00 2.30 2.34 0.00 466 N 7.90 4.65 0.00 2.79 2.89 0.00 0.00 6.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 467 L 7.44 4.05 0.00 1.71 1.59 0.93 1.10 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 0.00 468 H 8.44 4.86 0.00 3.15 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 469 E 8.38 4.33 0.00 1.95 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 2.30 2.32 0.00 470 N 8.41 4.53 0.00 2.74 2.81 0.00 0.00 6.95 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 471 I 8.20 3.49 1.48 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.42 -0.21 0.00 0.00 472 D 8.15 4.66 0.00 2.59 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 W 8.82 4.13 0.00 3.33 3.29 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 0.00 474 G 8.46 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 0.00 0.00 0.00 475 E 8.26 4.79 0.00 1.93 1.82 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 2.24 2.25 0.00 476 P 0.00 4.44 0.00 2.19 2.05 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00