NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.8496 8.2833 118.1408 53.3029 40.7593 176.1266 7 I 3.4931 7.9115 118.8313 63.4920 36.8205 173.5549 8 E 4.1425 9.0127 120.5067 57.0598 30.3361 177.5317 9 K 4.2409 8.6437 117.8090 59.4026 32.8344 179.6341 10 E 3.4445 7.7570 118.6266 58.3084 28.9346 179.1561 11 I 3.6361 7.3929 120.2628 64.7532 37.2339 177.9239 12 L 4.0593 9.0815 120.0795 57.8077 41.3760 179.5354 13 A 4.0673 7.8675 120.3488 54.9307 18.0688 179.6713 14 L 4.0976 7.7552 116.4416 57.6111 41.8771 179.5681 15 V 3.4592 7.2991 118.4514 65.5720 31.3224 177.6816 16 K 3.3200 7.9549 118.7075 59.5309 31.7760 177.5012 17 Q 4.0004 7.9381 116.4480 57.0458 28.9867 175.0856 18 N 4.5550 7.8406 116.6646 52.6870 39.4525 172.4621 19 P 4.0096 0.0000 0.0000 66.9315 31.9068 177.6018 20 K 4.2976 8.9546 116.2228 57.1128 31.8544 177.3402 21 V 4.5158 7.6692 119.7700 59.2694 32.9210 176.5038 22 S 4.4670 9.1936 120.8618 57.3159 65.2105 174.9929 23 L 3.9893 8.3700 123.6448 58.3749 41.8646 179.0044 24 I 3.8011 7.8176 112.5912 64.0809 37.4653 177.9015 25 E 4.1878 8.3572 120.3558 59.4017 29.3524 178.5999 26 Y 4.3687 8.4889 119.8704 60.7397 38.6336 177.7495 27 E 3.8608 8.2037 119.0502 59.5587 29.9875 178.2499 28 N 4.2849 8.7087 115.7477 56.1895 38.7911 174.8848 29 Y 4.4420 7.8529 115.3405 59.3663 40.0102 177.8907 30 F 4.0910 7.6350 118.0883 60.6781 39.1846 177.7409 31 S 3.8018 7.8250 112.6949 61.3170 62.5862 175.3930 32 Q 4.1741 7.7553 117.4680 56.5927 28.8042 175.7585 33 L 4.7465 7.6727 121.3208 54.7433 42.5531 176.0573 34 K 4.9641 9.4876 123.3710 55.6063 36.2797 174.8631 35 Y 4.5377 8.9375 123.3668 57.9119 39.8560 174.7537 36 N 4.7051 7.1141 122.6555 50.9377 37.9871 172.1615 37 P 4.0412 0.0000 0.0000 64.2335 32.2219 177.0496 38 N 4.3050 7.8411 114.6959 53.4514 39.2559 176.1519 39 A 3.1944 8.8897 124.6288 52.2895 17.4994 172.5437 40 S 4.2067 9.1841 118.1321 58.3890 61.5590 171.1387 41 K 4.7298 8.3129 130.1620 55.5247 32.7054 178.6034 42 S 4.2861 8.3339 110.9101 58.3601 63.8002 173.2702 43 D 5.0252 8.8346 118.6580 52.8507 41.3005 175.4593 44 I 5.1612 7.7769 119.0445 59.5224 42.1386 173.6271 45 A 5.1071 8.9491 126.1644 49.3501 21.7859 175.2588 46 F 4.9545 8.3761 120.3843 55.6254 41.6234 174.8774 47 F 5.4596 8.9261 121.0707 55.9737 43.2145 173.5371 48 Y 5.4864 10.0803 118.6172 56.5407 40.5517 174.7574 49 A 5.0728 9.9475 124.7376 49.5612 21.9417 175.6048 50 P 4.1966 0.0000 0.0000 65.1375 31.7645 176.4361 51 N 5.1122 7.6613 113.6269 50.1443 41.8130 174.9589 52 Q 3.9208 8.4680 119.7537 59.4176 29.1982 177.7794 53 V 3.6070 7.8380 118.7740 66.0586 31.4940 177.7988 54 L 4.0420 8.3566 118.4904 58.0935 41.4169 178.8635 55 C 4.0915 8.2727 118.6334 62.9153 31.3115 175.9041 56 T 3.9536 8.2249 117.4294 66.7289 68.2367 177.2733 57 T 3.7366 8.4084 117.8760 66.6046 68.4337 176.5878 58 I 3.4159 7.6714 121.6140 64.8886 37.0557 178.2597 59 T 3.8546 7.6691 115.7381 66.8394 68.1177 176.4792 60 A 3.9244 8.0896 121.7383 54.5619 18.5929 179.0696 61 K 4.0251 7.8436 114.5060 57.5088 33.4962 176.6963 62 Y 5.0264 8.1064 115.5137 56.4541 40.9643 176.9948 63 G 3.7839 8.1350 108.1254 48.0239 0.0000 175.7285 64 A 4.0407 7.9494 122.4651 54.7836 18.5542 179.3161 65 L 3.9993 8.0855 117.0760 58.0710 41.6610 179.7920 66 L 3.9522 8.3584 119.0276 57.7599 41.6006 179.0956 67 K 3.8423 8.3204 118.7415 60.2026 32.1283 178.0748 68 E 3.6362 9.2934 116.0024 59.7509 29.0382 179.9343 69 I 3.5113 7.0639 121.3208 63.9490 38.1553 177.3986 70 L 4.1070 8.1046 120.0544 58.1069 41.4173 179.7067 71 S 4.1725 8.3453 115.3824 61.5271 62.5514 175.7652 72 Q 4.4015 7.8478 119.0603 55.8335 29.1333 174.8558 73 N 5.0873 7.4096 115.1694 51.5054 42.6602 174.3255 74 K 3.9790 8.3619 119.4824 56.5896 33.4499 177.1264 *76 G 3.5447 8.2761 107.9707 46.7620 0.0000 172.0996 77 M 3.0661 9.7139 126.4621 56.0961 30.5259 176.9464 78 H 5.0912 7.6801 107.5181 55.1619 30.7861 174.2621 79 L 4.4303 7.6604 115.7369 54.8068 42.1961 177.1585 80 A 4.8618 7.4309 120.8089 50.5560 21.7468 177.9449 81 H 4.3271 8.7674 116.8788 58.1436 29.0366 177.1478 82 S 4.6793 8.0316 112.9789 58.1166 62.8959 173.8442 83 V 3.6058 7.8423 116.7059 60.6516 31.5603 174.8089 84 D 4.7227 9.0782 124.4541 53.6285 42.7920 175.0854 85 V 4.8178 8.2352 116.8322 59.5519 34.5252 175.1859 86 R 4.4136 8.8798 124.8375 54.6717 32.6953 173.5530 87 I 5.1489 8.5530 126.6258 59.7998 39.8903 173.9188 88 E 4.9521 9.2583 126.4194 54.8983 34.5715 174.8710 89 V 4.8276 8.6774 119.2653 61.3802 32.4349 175.2699 90 A 3.4715 8.1708 126.1586 52.8692 18.8912 176.0222 91 P 4.3922 0.0000 0.0000 62.5584 31.5410 175.0384 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 6 N 8.28 4.85 0.00 2.82 3.00 0.00 0.00 6.97 6.55 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 7 I 7.91 3.49 1.90 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 1.32 0.75 0.93 0.00 0.00 8 E 9.01 4.14 0.00 2.09 2.02 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 2.20 2.32 0.00 9 K 8.64 4.24 0.00 1.97 1.91 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.80 7.81 10 E 7.76 3.44 0.00 2.06 1.96 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 2.60 2.56 0.00 11 I 7.39 3.64 1.93 0.00 0.00 0.54 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 0.90 0.88 0.00 0.00 12 L 9.08 4.06 0.00 1.74 2.01 1.03 0.80 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 13 A 7.87 4.07 1.30 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 0.00 0.00 0.00 14 L 7.76 4.10 0.00 1.75 1.66 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.30 3.46 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 -0.04 0.00 0.00 0.74 0.00 0.00 16 K 7.95 3.32 0.00 1.27 1.58 0.00 1.18 0.00 0.00 1.27 0.00 0.00 2.30 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.94 0.21 7.81 17 Q 7.94 4.00 0.00 1.92 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 18 N 7.84 4.55 0.00 2.75 2.70 0.00 0.00 7.10 8.32 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 19 P 0.00 4.01 0.00 2.19 2.02 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 20 K 8.95 4.30 0.00 1.84 1.88 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.39 7.81 21 V 7.67 4.52 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 0.72 0.00 0.00 0.93 0.00 0.00 22 S 9.19 4.47 0.00 4.11 4.10 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 23 L 8.37 3.99 0.00 1.79 1.74 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.82 3.80 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.60 0.94 0.00 0.00 25 E 8.36 4.19 0.00 2.40 2.18 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 2.64 2.50 0.00 26 Y 8.49 4.37 0.00 3.02 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 27 E 8.20 3.86 0.00 2.32 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 2.35 2.42 0.00 28 N 8.71 4.28 0.00 2.49 2.31 0.00 0.00 7.02 8.02 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 29 Y 7.85 4.44 0.00 2.82 2.38 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 0.00 30 F 7.64 4.09 0.00 2.84 2.84 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 31 S 7.83 3.80 0.00 3.79 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.76 4.17 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 33 L 7.67 4.75 0.00 1.91 1.55 1.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.49 4.96 0.00 1.95 1.97 0.00 1.46 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.64 7.81 35 Y 8.94 4.54 0.00 3.11 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 36 N 7.11 4.71 0.00 2.31 2.29 0.00 0.00 7.18 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 37 P 0.00 4.04 0.00 2.00 2.06 0.00 3.58 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 38 N 7.84 4.31 0.00 2.62 2.67 0.00 0.00 6.89 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 39 A 8.89 3.19 0.50 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 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.18 4.21 0.00 4.15 3.80 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 41 K 8.31 4.73 0.00 1.87 1.69 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.44 7.81 42 S 8.33 4.29 0.00 4.16 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 43 D 8.83 5.03 0.00 2.75 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 44 I 7.78 5.16 1.79 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 1.21 0.72 0.36 0.00 0.00 45 A 8.95 5.11 1.02 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 0.00 0.00 46 F 8.38 4.95 0.00 2.78 2.57 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 47 F 8.93 5.46 0.00 3.12 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 48 Y 10.08 5.49 0.00 3.03 2.82 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 0.00 0.00 0.00 49 A 9.95 5.07 1.30 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 0.00 0.00 0.00 50 P 0.00 4.20 0.00 2.06 2.14 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 51 N 7.66 5.11 0.00 2.93 2.89 0.00 0.00 5.88 7.63 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 52 Q 8.47 3.92 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 53 V 7.84 3.61 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 0.88 0.00 0.00 0.95 0.00 0.00 54 L 8.36 4.04 0.00 2.05 1.76 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.27 4.09 0.00 3.13 3.15 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 0.00 56 T 8.22 3.95 4.41 0.00 0.00 0.00 0.00 0.00 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 57 T 8.41 3.74 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 0.97 0.00 0.00 58 I 7.67 3.42 1.96 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 1.40 0.89 0.88 0.00 0.00 59 T 7.67 3.85 4.45 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 1.21 0.00 0.00 60 A 8.09 3.92 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.84 4.03 0.00 1.14 1.48 0.00 0.74 0.00 0.00 0.79 0.00 0.00 2.64 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.85 0.21 7.81 62 Y 8.11 5.03 0.00 3.06 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 63 G 8.14 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 64 A 7.95 4.04 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 65 L 8.09 4.00 0.00 2.07 1.80 1.16 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.36 3.95 0.00 1.97 1.74 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.32 3.84 0.00 2.06 1.89 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.60 7.81 68 E 9.29 3.64 0.00 2.09 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 2.31 2.39 0.00 69 I 7.06 3.51 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.84 0.00 0.00 70 L 8.10 4.11 0.00 1.97 1.69 1.02 0.77 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 71 S 8.35 4.17 0.00 3.95 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 72 Q 7.85 4.40 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 73 N 7.41 5.09 0.00 2.81 2.62 0.00 0.00 6.94 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.36 3.98 0.00 1.86 1.81 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.37 7.81 *76 G 8.28 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 M 9.71 3.07 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 78 H 7.68 5.09 0.00 3.17 3.20 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.66 4.43 0.00 1.63 1.65 0.92 0.82 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 80 A 7.43 4.86 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 81 H 8.77 4.33 0.00 3.15 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.03 4.68 0.00 3.93 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 83 V 7.84 3.61 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 0.71 0.00 0.00 0.95 0.00 0.00 84 D 9.08 4.72 0.00 2.75 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 85 V 8.24 4.82 2.34 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 0.88 0.00 0.00 1.01 0.00 0.00 86 R 8.88 4.41 0.00 1.38 0.66 0.00 3.20 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 87 I 8.55 5.15 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 1.02 0.00 0.00 88 E 9.26 4.95 0.00 2.01 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 2.34 2.39 0.00 89 V 8.68 4.83 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 0.74 0.00 0.00 1.03 0.00 0.00 90 A 8.17 3.47 1.07 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 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.39 0.00 2.09 1.92 0.00 3.49 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 1.83 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.