NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 V 4.0435 8.0544 120.3145 61.9865 32.7038 174.9558 438 V 4.1812 8.0580 113.3410 60.7984 31.1081 175.4255 439 D 4.9569 8.4488 117.9594 53.7168 41.3727 178.4927 440 Q 4.1199 8.1050 121.8293 59.7363 28.6710 178.3813 441 I 3.8847 7.5046 119.6376 64.3720 37.0820 178.4856 442 R 3.9745 7.8931 119.2480 59.3344 30.0578 178.3255 443 L 4.1062 7.9252 118.1684 56.9998 41.5198 179.4474 444 W 4.0822 8.2294 119.5421 59.5139 28.9655 178.3234 445 Q 4.0310 8.4474 119.6019 59.1597 28.3065 178.0811 446 L 3.9719 7.8015 118.7968 58.0888 42.0017 178.9973 447 E 4.0307 8.1661 118.9391 58.9640 29.6346 178.4075 448 L 4.0111 8.4039 120.9882 58.2783 41.9857 178.1417 449 D 4.6775 8.2249 115.7866 55.4114 40.8509 177.4527 450 R 4.4075 7.5840 118.1136 54.7914 30.9201 176.5413 451 V 3.6831 7.1669 119.5982 62.8845 32.0673 175.1778 452 I 4.4200 8.1436 127.0659 59.4315 39.8455 174.9354 453 T 4.5189 8.0266 114.0477 59.8045 71.3225 172.7742 454 Y 4.8974 8.3377 120.9691 56.1240 41.5945 175.2187 455 E 4.5663 8.8803 122.4055 55.4375 31.2237 177.2299 456 G 4.1941 7.8303 107.9310 46.4329 0.0000 171.6985 457 S 4.4329 6.9963 116.7994 56.6018 67.3664 173.1178 458 L 4.9692 8.5044 126.4997 54.4322 43.2060 174.9420 459 Y 4.4591 9.5613 125.5375 56.5443 40.1487 175.1703 460 S 4.8279 8.1286 116.8215 57.8457 66.3575 172.7514 461 D 4.3948 8.6358 116.1108 55.5400 37.5695 174.5213 462 F 4.3860 8.2716 117.1635 57.1231 39.9100 175.3951 463 E 4.1688 9.3043 127.2618 58.9504 29.9461 177.3696 464 T 4.7817 7.7115 108.3177 59.1444 72.9100 174.1583 465 S 4.1874 8.7808 117.3466 61.9777 62.2327 176.5163 466 Q 3.9898 8.1852 119.9333 59.1823 28.4508 178.7253 467 E 3.9364 8.3870 119.9925 59.3526 29.6067 177.9006 468 Y 2.9215 7.7304 119.4136 60.7155 38.7429 178.1716 469 N 3.7122 8.4072 117.4971 55.6054 38.5384 177.3360 470 L 3.8266 7.9350 122.1917 58.2509 42.2399 179.1250 471 L 4.0067 7.9403 119.3213 57.6779 41.5523 179.6730 472 S 3.0286 7.0448 113.8825 60.5704 62.7259 176.4890 473 K 3.7563 7.5249 123.3794 59.0007 31.8893 178.1122 474 Y 3.7373 7.7689 119.7183 60.5263 38.6997 178.0583 475 A 3.6080 7.9061 121.8928 55.0811 18.1971 179.1483 476 Q 3.7431 8.0657 118.4000 59.6567 28.7819 178.6405 477 D 4.2419 7.7666 118.9890 56.2298 40.8747 177.6671 478 I 4.1107 7.1377 111.0631 60.0530 37.9402 175.9498 479 G 3.7753 7.5620 107.9212 46.7272 0.0000 174.4488 480 V 4.4167 7.5926 109.2497 60.2854 34.0201 174.7524 481 L 4.5063 7.8628 123.4944 54.6496 42.0691 176.1227 482 L 4.5928 8.7013 125.5400 55.4807 44.1067 176.5244 483 W 5.0219 8.1025 125.8329 56.6890 33.9556 173.4653 484 K 4.1927 7.4080 123.0175 55.9635 35.0377 175.5307 485 D 4.1435 8.4674 119.0277 53.2605 42.4352 175.0301 486 D 4.6433 8.8888 127.1307 56.6922 40.9407 180.0557 487 K 4.0711 7.8010 116.3445 58.3135 32.0536 177.8279 488 K 4.3418 7.8273 116.0279 55.0929 33.5973 175.8981 489 K 2.4800 7.1445 117.7402 57.2596 30.2602 174.6953 490 K 5.3942 7.3691 115.8940 54.9883 36.8336 176.6811 491 F 5.5494 9.0078 116.6588 55.9574 42.1021 172.5321 492 F 5.5347 10.0264 121.8278 56.6249 42.3437 173.8178 493 I 5.2217 8.0981 126.1298 59.1827 41.0283 175.4518 494 S 4.8052 8.8448 120.2480 57.9701 64.0889 175.1785 495 K 3.9576 8.9306 122.5104 59.4159 32.0173 178.4262 496 E 4.2490 7.8233 114.2490 57.5431 30.0664 177.7568 497 G 3.9578 7.7539 105.5466 44.6670 0.0000 174.9754 498 N 4.3975 7.9667 120.6107 56.8967 39.0495 177.0317 499 S 4.2881 8.1061 114.9238 61.3301 63.0998 176.1914 500 Q 4.0880 8.1149 121.5745 59.0648 28.5594 178.8113 501 V 3.9384 7.8460 113.3178 64.0384 31.5665 178.5694 502 L 4.1197 8.0562 118.9202 58.0506 41.5957 179.1129 503 D 4.3293 8.4849 118.0701 57.1891 41.1597 177.9037 504 F 3.8639 8.5069 121.0958 61.1487 38.9995 176.8246 505 A 4.0574 8.6793 120.7126 55.2506 17.9759 179.6857 506 K 3.9102 8.0248 115.7536 59.8586 32.2241 179.5549 507 R 4.0159 7.6733 116.9208 58.0747 30.0277 178.2134 508 K 4.3255 7.3483 114.9336 55.8542 32.6508 176.3199 509 L 4.1729 7.5556 125.0873 55.1589 42.9206 175.5461 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 437 V 8.05 4.04 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 0.94 0.00 0.00 0.94 0.00 0.00 438 V 8.06 4.18 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 1.05 0.00 0.00 0.94 0.00 0.00 439 D 8.45 4.96 0.00 2.96 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 0.00 440 Q 8.11 4.12 0.00 2.23 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.05 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 441 I 7.50 3.88 2.04 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 1.35 0.67 0.93 0.00 0.00 442 R 7.89 3.97 0.00 1.88 2.10 0.00 3.36 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 443 L 7.93 4.11 0.00 1.88 1.61 0.90 0.78 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 0.00 444 W 8.23 4.08 0.00 3.55 3.19 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 0.00 445 Q 8.45 4.03 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 446 L 7.80 3.97 0.00 1.82 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 447 E 8.17 4.03 0.00 2.06 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 2.14 2.30 0.00 448 L 8.40 4.01 0.00 1.96 1.89 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 449 D 8.22 4.68 0.00 2.80 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 0.00 450 R 7.58 4.41 0.00 2.01 1.93 0.00 3.15 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 451 V 7.17 3.68 2.15 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 0.71 0.00 0.00 0.98 0.00 0.00 452 I 8.14 4.42 1.70 0.00 0.00 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 1.56 1.04 0.28 0.00 0.00 453 T 8.03 4.52 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 454 Y 8.34 4.90 0.00 3.01 2.97 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 0.00 455 E 8.88 4.57 0.00 2.15 1.97 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 2.47 2.39 0.00 456 G 7.83 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 0.00 0.00 0.00 0.00 457 S 7.00 4.43 0.00 3.84 3.45 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 0.00 0.00 0.00 0.00 458 L 8.50 4.97 0.00 2.02 1.67 1.36 1.00 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 0.00 459 Y 9.56 4.46 0.00 1.56 2.67 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 0.00 0.00 0.00 0.00 460 S 8.13 4.83 0.00 3.86 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 0.00 461 D 8.64 4.39 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 4.39 0.00 3.16 3.12 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 0.00 463 E 9.30 4.17 0.00 1.99 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 0.00 2.34 2.42 0.00 464 T 7.71 4.78 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 465 S 8.78 4.19 0.00 3.95 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 0.00 466 Q 8.19 3.99 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 467 E 8.39 3.94 0.00 2.16 2.14 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 2.59 2.49 0.00 468 Y 7.73 2.92 0.00 2.53 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 N 8.41 3.71 0.00 2.81 2.69 0.00 0.00 6.71 6.32 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 0.00 470 L 7.93 3.83 0.00 1.80 1.87 1.06 0.86 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 0.00 471 L 7.94 4.01 0.00 1.82 1.84 1.32 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 472 S 7.04 3.03 0.00 3.21 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 0.00 473 K 7.52 3.76 0.00 1.76 1.69 0.00 1.35 0.00 0.00 1.44 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.34 7.81 474 Y 7.77 3.74 0.00 2.30 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.61 1.08 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 0.00 476 Q 8.07 3.74 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 477 D 7.77 4.24 0.00 2.52 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 0.00 478 I 7.14 4.11 1.61 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.26 0.31 0.00 0.00 479 G 7.56 3.78 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 0.00 480 V 7.59 4.42 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 0.68 0.00 0.00 0.84 0.00 0.00 481 L 7.86 4.51 0.00 1.51 1.47 0.77 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 482 L 8.70 4.59 0.00 1.68 1.20 0.60 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 483 W 8.10 5.02 0.00 3.39 3.12 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 0.00 484 K 7.41 4.19 0.00 1.78 1.60 0.00 1.53 0.00 0.00 1.37 0.00 0.00 2.60 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.10 1.17 7.81 485 D 8.47 4.14 0.00 2.39 2.27 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 0.00 486 D 8.89 4.64 0.00 2.74 2.78 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 0.00 487 K 7.80 4.07 0.00 1.69 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 488 K 7.83 4.34 0.00 1.87 1.91 0.00 2.41 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 489 K 7.14 2.48 0.00 1.83 1.73 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.80 1.23 7.81 490 K 7.37 5.39 0.00 1.90 2.09 0.00 1.85 0.00 0.00 2.14 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.67 7.81 491 F 9.01 5.55 0.00 3.26 3.10 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 0.00 0.00 0.00 492 F 10.03 5.53 0.00 3.45 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 493 I 8.10 5.22 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.93 0.00 0.00 494 S 8.84 4.81 0.00 4.18 4.05 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 0.00 495 K 8.93 3.96 0.00 2.05 1.92 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.43 7.81 496 E 7.82 4.25 0.00 2.27 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 0.00 2.33 2.43 0.00 497 G 7.75 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 0.00 498 N 7.97 4.40 0.00 2.99 2.88 0.00 0.00 6.90 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 499 S 8.11 4.29 0.00 4.14 4.16 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 0.00 0.00 0.00 500 Q 8.11 4.09 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 501 V 7.85 3.94 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 0.86 0.00 0.00 502 L 8.06 4.12 0.00 1.96 1.81 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 503 D 8.48 4.33 0.00 2.75 2.80 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 0.00 0.00 0.00 504 F 8.51 3.86 0.00 2.78 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 0.00 505 A 8.68 4.06 1.53 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 0.00 0.00 506 K 8.02 3.91 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.76 7.81 507 R 7.67 4.02 0.00 1.65 1.77 0.00 3.06 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 508 K 7.35 4.33 0.00 1.16 1.48 0.00 1.42 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.42 7.81 509 L 7.56 4.17 0.00 1.59 1.52 1.13 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00