NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 R 4.1354 8.2549 117.2584 54.8084 31.1112 175.1514 502 P 3.9928 0.0000 0.0000 62.2396 31.9615 176.1690 503 D 4.3686 8.3427 121.2681 57.2217 41.7862 178.6360 504 F 4.4099 7.8284 114.4356 59.5803 37.6263 177.7733 505 C 4.7552 7.5161 116.1181 59.2245 40.0642 174.7372 506 L 4.2617 7.7738 118.7712 54.3890 41.9949 176.6652 507 E 4.3396 7.4831 119.3012 54.7382 30.3092 174.9976 508 P 4.3718 0.0000 0.0000 61.4916 32.1026 174.3993 509 P 3.4827 0.0000 0.0000 63.0077 31.1348 175.1582 510 Y 4.6382 7.9452 122.3022 56.0293 39.7745 175.2453 511 T 4.1614 8.2801 125.6314 64.9934 68.8398 176.2438 512 G 3.6847 6.8139 104.7449 44.0113 0.0000 171.3671 513 P 4.3016 0.0000 0.0000 65.3374 32.0275 178.1232 514 C 4.4546 7.9171 115.6124 57.1433 40.6275 173.6022 515 R 4.7741 8.1604 119.6344 55.8576 30.2977 176.2969 516 L 4.4121 7.6135 118.9018 54.7072 43.4610 175.3356 517 R 4.5882 8.3192 118.3146 54.4220 31.6442 173.4910 518 I 4.6097 8.1402 126.0745 58.7948 41.4720 174.1846 519 I 4.3001 8.3497 129.8810 61.3164 37.9525 175.2370 520 R 4.8269 8.3970 124.3504 54.8414 35.1962 173.3665 521 Y 5.6175 9.6166 117.5072 56.6910 41.2077 175.3339 522 F 5.7121 9.4793 116.3922 55.6698 42.1911 172.7013 523 Y 4.4391 9.9872 122.8511 56.9703 39.9599 174.2595 524 N 4.8260 8.3183 126.9768 51.6130 37.8993 174.7363 525 A 3.7072 8.3131 128.3181 54.8335 18.7483 179.2354 526 K 4.0379 8.0240 113.7967 58.8321 31.7207 177.7140 527 A 4.2946 7.7341 120.0091 51.2671 19.7922 177.5191 528 G 3.9529 7.8882 103.6113 45.8901 0.0000 173.4750 529 L 4.8672 6.7138 114.1976 52.7001 46.4550 175.0055 530 C 4.9558 8.7234 118.9352 56.5266 39.7778 172.9553 531 Q 4.8218 8.6029 121.7380 54.2693 33.2414 174.3544 532 T 4.9553 8.3751 110.5585 61.3359 70.7956 173.5841 533 F 4.9830 8.7791 116.6862 56.0051 42.0558 172.9297 534 V 4.2919 8.4151 119.7573 62.1746 32.3210 174.1996 535 Y 4.7559 8.5074 130.0416 56.2024 40.4603 176.2806 536 G 3.9182 8.2033 112.9571 45.7103 0.0000 174.9327 537 G 3.8577 6.0236 107.6636 45.4639 0.0000 172.5060 538 C 5.0093 6.9568 111.1816 54.2712 44.6015 172.9688 539 R 3.8305 8.8352 115.7676 56.9729 27.2651 176.9116 540 A 4.3234 8.3551 118.6592 52.5292 18.9840 178.1343 541 K 4.4094 8.2001 119.9835 54.5872 34.1975 177.2822 542 R 3.4472 7.9981 118.1296 58.8799 30.2872 177.6547 543 N 4.8554 7.7021 118.0962 51.3894 37.4403 174.1729 544 N 5.0990 6.5697 116.5485 52.7447 41.7072 173.0902 545 F 5.0084 9.7521 124.5405 55.7876 42.5802 176.0618 546 K 4.5769 8.7949 120.9074 57.1239 32.7225 177.4794 547 S 4.2225 7.5246 112.8988 55.8449 66.6691 175.1073 548 A 3.4700 7.2351 125.2159 54.8849 18.0392 179.6700 549 E 3.7219 7.8225 117.3822 59.6394 29.7329 178.5278 550 D 4.2261 7.9614 117.8964 57.2895 41.2302 177.3159 551 C 2.4500 7.7297 118.9188 59.0159 41.1325 175.6521 552 L 3.8136 7.9951 120.9324 57.8525 40.9955 179.7311 553 R 3.9656 7.8991 117.1378 59.1558 29.9739 178.7298 554 T 4.2168 7.4774 114.5690 65.4015 69.0391 175.5578 555 C 4.5949 7.9681 115.2001 56.2866 41.4271 175.4670 556 G 3.4563 8.0157 110.8217 48.1756 0.0000 175.1480 557 G 3.5679 7.7026 108.0789 44.9461 0.0000 173.0713 558 A 4.0964 8.4125 124.4284 52.2372 18.4075 177.4160 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 501 R 8.25 4.14 0.00 1.63 2.01 0.00 3.01 0.00 0.00 2.87 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 502 P 0.00 3.99 0.00 0.73 1.48 0.00 3.27 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 503 D 8.34 4.37 0.00 2.71 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 0.00 504 F 7.83 4.41 0.00 3.22 3.36 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 0.00 505 C 7.52 4.76 0.00 3.01 3.26 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 0.00 506 L 7.77 4.26 0.00 1.76 1.76 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 507 E 7.48 4.34 0.00 2.22 1.90 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 2.42 2.44 0.00 508 P 0.00 4.37 0.00 2.08 2.01 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 509 P 0.00 3.48 0.00 0.66 0.49 0.00 3.30 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.00 510 Y 7.95 4.64 0.00 2.81 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 0.00 511 T 8.28 4.16 4.13 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 1.17 0.00 0.00 512 G 6.81 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 0.00 513 P 0.00 4.30 0.00 2.17 2.19 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 514 C 7.92 4.45 0.00 2.93 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 0.00 515 R 8.16 4.77 0.00 1.71 1.85 0.00 3.15 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 516 L 7.61 4.41 0.00 1.70 1.73 0.76 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 517 R 8.32 4.59 0.00 1.73 1.80 0.00 3.29 0.00 0.00 3.11 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 518 I 8.14 4.61 1.85 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 1.26 1.45 1.05 0.00 0.00 519 I 8.35 4.30 1.80 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 1.29 0.86 0.68 0.00 0.00 520 R 8.40 4.83 0.00 0.94 1.85 0.00 3.43 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 521 Y 9.62 5.62 0.00 3.13 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 0.00 522 F 9.48 5.71 0.00 3.29 2.99 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 0.00 0.00 0.00 523 Y 9.99 4.44 0.00 2.99 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 0.00 524 N 8.32 4.83 0.00 2.34 2.48 0.00 0.00 6.62 7.80 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 0.00 525 A 8.31 3.71 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 0.00 526 K 8.02 4.04 0.00 1.74 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 527 A 7.73 4.29 1.19 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 0.00 528 G 7.89 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 0.00 0.00 0.00 529 L 6.71 4.87 0.00 1.43 1.42 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 530 C 8.72 4.96 0.00 2.87 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 0.00 531 Q 8.60 4.82 0.00 1.54 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 532 T 8.38 4.96 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 0.51 0.00 0.00 533 F 8.78 4.98 0.00 3.12 3.22 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 0.00 0.00 0.00 0.00 534 V 8.42 4.29 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 0.70 0.00 0.00 0.91 0.00 0.00 535 Y 8.51 4.76 0.00 2.57 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 0.00 536 G 8.20 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 0.00 537 G 6.02 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 0.00 0.00 0.00 538 C 6.96 5.01 0.00 3.06 2.99 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 0.00 0.00 0.00 539 R 8.84 3.83 0.00 2.19 2.24 0.00 3.31 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 540 A 8.36 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 541 K 8.20 4.41 0.00 1.73 1.67 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.22 7.81 542 R 8.00 3.45 0.00 0.72 0.66 0.00 2.51 0.00 0.00 2.90 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.22 0.00 543 N 7.70 4.86 0.00 3.18 2.88 0.00 0.00 6.69 7.79 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 0.00 544 N 6.57 5.10 0.00 2.66 2.52 0.00 0.00 7.08 7.02 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 0.00 545 F 9.75 5.01 0.00 3.25 2.98 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 0.00 546 K 8.79 4.58 0.00 1.82 1.92 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 547 S 7.52 4.22 0.00 3.83 3.85 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 0.00 548 A 7.24 3.47 1.06 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 0.00 0.00 549 E 7.82 3.72 0.00 1.95 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 2.32 2.31 0.00 550 D 7.96 4.23 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 551 C 7.73 2.45 0.00 2.78 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 0.00 552 L 8.00 3.81 0.00 1.72 1.61 0.86 0.81 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 0.00 553 R 7.90 3.97 0.00 1.69 1.95 0.00 3.11 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 554 T 7.48 4.22 4.15 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 0.00 0.00 0.00 1.56 0.00 0.00 555 C 7.97 4.59 0.00 2.65 2.20 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 0.00 556 G 8.02 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 G 7.70 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 A 8.41 4.10 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00