NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2498 8.2601 123.5815 51.5881 19.9938 175.8526 3 A 4.0488 8.2224 122.0519 49.3225 18.9248 175.2246 4 P 4.4156 0.0000 0.0000 62.8986 33.0918 175.2010 5 I 3.8391 8.3835 122.4784 64.3407 37.4020 176.5043 6 L 4.4725 7.6198 118.6046 53.5694 42.0483 176.1491 7 K 4.5467 8.7582 121.4496 55.8199 34.1403 176.2057 8 D 4.3605 8.8258 122.5363 55.3097 38.3454 173.2177 9 V 4.2230 7.2191 116.3974 61.7145 33.3983 174.7424 10 V 4.7581 8.9450 128.1779 61.3786 33.2580 173.8575 11 A 5.2558 9.3295 130.6719 50.6345 21.5894 174.7639 12 Y 5.0016 8.8548 121.6111 55.6862 41.8674 174.3979 13 V 4.5468 7.6608 125.8175 61.1856 33.8783 175.2294 14 E 4.5806 9.2029 128.6119 53.9955 30.6545 171.8618 15 V 4.7278 8.5280 122.3849 60.2917 34.3797 173.9218 16 W 5.4437 8.8737 127.3480 54.3420 32.9497 175.5505 17 S 4.6224 9.2686 117.2046 58.3691 63.2823 175.6800 18 S 4.3321 8.8639 115.5035 60.8369 62.9278 174.6848 19 N 4.5896 8.2672 116.3405 52.3434 37.5505 175.9725 20 G 3.9813 8.2061 108.0707 46.0303 0.0000 174.8609 21 T 4.2497 8.0778 108.8597 62.8475 69.5265 174.3998 22 E 4.4041 8.2959 123.9855 54.0182 31.8502 173.6110 23 N 3.4469 7.9447 124.5513 52.1114 39.5315 173.8024 24 Y 4.4556 8.1062 122.5486 58.0221 38.5421 178.0044 25 S 4.2016 8.0576 120.0446 61.2958 62.6749 176.4446 26 K 3.8648 7.8895 122.1719 59.7061 31.8270 178.5782 27 T 3.6731 7.4729 115.3771 66.8646 68.3575 176.5193 28 F 4.0644 7.9135 118.6964 60.1984 39.0572 177.9328 29 T 3.8947 8.2959 116.1111 67.0225 68.2597 176.6423 30 T 3.8446 7.8951 117.4419 66.6836 68.2225 176.6815 31 Q 3.9423 7.4930 118.8803 58.9568 29.0575 178.7294 32 L 4.1279 8.0784 119.9017 57.7900 41.4747 179.6757 33 V 3.9361 7.5780 118.2432 65.3301 31.6040 179.2160 34 D 4.6372 8.0058 118.3315 53.9035 40.7801 177.4971 *36 G 3.8091 8.0270 106.3655 44.8022 0.0000 173.6131 37 A 4.3967 7.9439 122.2452 51.5127 20.1869 177.0470 38 K 4.5600 8.8639 119.1690 55.4200 34.2278 176.1843 39 V 4.8450 8.3017 122.8995 61.2449 33.8738 174.3661 40 S 4.8179 9.0570 123.4177 56.8120 63.1055 174.5154 41 K 4.2792 9.0496 126.2296 58.5608 32.2974 177.1635 42 T 4.8143 7.7284 107.0324 59.6861 71.4457 174.4959 43 F 4.3100 7.9559 126.0605 57.0451 37.7851 174.2547 44 N 4.7396 7.8273 123.3120 51.1685 39.2224 176.8062 45 K 4.1580 8.4229 116.2869 58.3017 32.1731 178.0267 46 Q 4.3734 8.5010 117.2225 55.6624 29.4136 176.2344 47 V 3.9065 7.6920 118.7803 63.8391 32.0918 175.3592 48 T 4.5151 9.1856 117.2077 62.8082 71.0935 174.3152 49 H 5.2004 8.1139 118.0918 53.7522 33.3632 172.4554 50 V 4.6596 8.7315 122.9554 61.1693 33.8760 174.4660 51 I 4.6350 8.6152 129.7837 60.5957 38.0467 174.5730 52 F 5.2404 9.1157 130.4187 56.1164 41.8322 174.5653 53 K 4.3129 8.4850 127.2538 55.2563 35.3505 175.6844 54 D 4.4034 8.6409 129.0451 55.2275 38.7229 173.7551 55 G 3.3318 6.1400 108.3124 44.5112 0.0000 173.5088 56 Y 4.6265 8.6253 117.3014 57.3920 40.1052 176.8008 57 Q 4.2358 8.9059 122.6334 59.0404 28.8989 178.8717 58 S 4.2145 8.4227 113.9358 61.9983 62.2148 176.4625 59 T 4.2502 8.1436 117.6311 66.3666 68.4553 176.4357 60 W 3.9108 8.5124 130.3304 60.6898 30.7007 177.7225 61 D 4.4513 8.8858 119.1454 57.3463 40.2064 178.7763 62 K 3.8959 8.3298 119.9695 59.2437 32.0720 178.7602 63 A 4.1923 8.4702 121.4144 55.3199 18.3750 179.6051 64 Q 3.7374 7.9635 116.5662 58.9764 28.5506 179.0638 65 K 3.9494 7.9215 119.4963 59.4221 32.3624 178.5987 66 R 4.1483 8.1008 116.5351 56.3703 30.1198 177.2117 67 G 3.7899 7.4884 106.1080 46.1348 0.0000 173.7227 68 V 3.9609 7.7273 119.2480 61.7673 32.7038 175.8721 69 K 3.9826 8.4094 126.7413 56.2536 32.9644 175.9400 70 L 4.8170 8.1891 125.1390 53.5175 42.9875 175.9041 71 V 4.4374 8.5394 117.7485 59.2641 35.3510 175.9863 72 S 4.9855 8.3105 116.4220 57.2509 64.6960 175.8504 73 V 3.4797 8.1567 113.8048 64.2072 30.9371 178.5414 74 L 3.8503 7.9269 119.9134 57.7085 41.8626 178.4793 75 W 4.1903 8.4545 128.3918 60.5674 30.6346 177.9141 76 V 3.1044 7.6895 117.8896 65.9544 30.8632 177.5292 77 E 3.8413 8.2018 118.8706 59.3087 29.4086 179.0051 78 K 3.7937 8.0413 118.7865 59.3968 32.0301 179.1812 79 C 4.3012 7.7018 118.6070 62.2576 27.7205 176.3668 80 R 3.8288 7.6003 118.4863 59.5871 29.7083 179.0217 81 T 3.9768 7.8566 114.4459 66.4735 68.5460 176.5662 82 A 4.1629 8.1412 121.8455 52.4463 18.5950 177.5470 83 G 3.7812 8.2165 104.6759 45.9470 0.0000 173.1664 84 A 4.4368 7.3578 119.2942 50.9992 22.0134 176.2855 85 H 4.6723 8.5036 120.1110 54.9256 28.7391 174.9918 86 I 4.1289 7.8941 126.7218 60.2764 38.1412 175.9118 87 D 4.5503 8.8685 122.7758 54.7823 41.7166 177.4921 88 E 3.7897 9.0057 125.9088 59.1730 29.6646 178.9401 89 S 4.3556 8.1579 111.7017 60.0213 63.4740 175.2666 90 L 3.8603 7.7107 121.3061 57.1225 41.7669 177.4537 91 F 5.0572 7.6980 115.0435 55.4148 39.5704 172.1569 92 P 4.5925 0.0000 0.0000 62.3497 32.6442 178.0136 93 A 4.5391 8.2410 122.4224 52.1688 19.2084 176.7108 94 A 4.8069 8.7447 120.3022 50.3813 21.7588 176.2336 95 N 4.6302 7.8341 119.0192 52.2336 40.6364 174.4149 *97 N 4.4584 8.7046 113.5567 53.7716 39.0220 174.0320 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 2 A 8.26 4.25 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 3 A 8.22 4.05 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 4 P 0.00 4.42 0.00 2.40 2.08 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 5 I 8.38 3.84 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.84 0.00 0.00 6 L 7.62 4.47 0.00 1.63 1.61 0.87 0.46 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 7 K 8.76 4.55 0.00 1.80 1.73 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.39 7.81 8 D 8.83 4.36 0.00 2.90 2.83 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 0.00 0.00 0.00 9 V 7.22 4.22 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 1.01 0.00 0.00 1.05 0.00 0.00 10 V 8.94 4.76 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.99 0.00 0.00 11 A 9.33 5.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.85 5.00 0.00 2.95 2.50 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 13 V 7.66 4.55 1.93 0.00 0.00 0.00 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 0.93 0.00 0.00 14 E 9.20 4.58 0.00 2.06 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 2.24 2.58 0.00 15 V 8.53 4.73 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 0.83 0.00 0.00 0.58 0.00 0.00 16 W 8.87 5.44 0.00 3.14 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 17 S 9.27 4.62 0.00 4.05 4.35 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 0.00 0.00 0.00 0.00 18 S 8.86 4.33 0.00 4.01 4.06 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 19 N 8.27 4.59 0.00 2.87 2.99 0.00 0.00 6.18 7.04 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 20 G 8.21 3.98 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 0.00 0.00 0.00 21 T 8.08 4.25 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 E 8.30 4.40 0.00 2.01 1.67 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 1.92 1.81 0.00 23 N 7.94 3.45 0.00 1.44 1.99 0.00 0.00 6.84 7.22 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 24 Y 8.11 4.46 0.00 3.14 3.08 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 25 S 8.06 4.20 0.00 3.71 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 26 K 7.89 3.86 0.00 1.78 1.72 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.53 7.81 27 T 7.47 3.67 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 0.56 0.00 0.00 28 F 7.91 4.06 0.00 3.10 3.14 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 0.00 29 T 8.30 3.89 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 1.21 0.00 0.00 30 T 7.90 3.84 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 1.20 0.00 0.00 31 Q 7.49 3.94 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 32 L 8.08 4.13 0.00 1.87 1.76 1.06 0.80 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 33 V 7.58 3.94 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 0.97 0.00 0.00 1.00 0.00 0.00 34 D 8.01 4.64 0.00 2.88 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 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 0.00 0.00 0.00 37 A 7.94 4.40 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.86 4.56 0.00 1.77 1.77 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.41 7.81 39 V 8.30 4.84 2.12 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 0.86 0.00 0.00 0.97 0.00 0.00 40 S 9.06 4.82 0.00 4.00 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 41 K 9.05 4.28 0.00 1.89 1.95 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.49 7.81 42 T 7.73 4.81 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 1.29 0.00 0.00 43 F 7.96 4.31 0.00 1.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.83 4.74 0.00 3.00 3.00 0.00 0.00 6.19 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.42 4.16 0.00 1.76 1.88 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 46 Q 8.50 4.37 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 47 V 7.69 3.91 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 0.88 0.00 0.00 1.18 0.00 0.00 48 T 9.19 4.52 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 49 H 8.11 5.20 0.00 3.09 3.09 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.73 4.66 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 1.19 0.00 0.00 0.33 0.00 0.00 51 I 8.62 4.64 1.89 0.00 0.00 1.00 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 0.66 0.84 0.00 0.00 52 F 9.12 5.24 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.49 4.31 0.00 1.72 1.46 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.39 7.81 54 D 8.64 4.40 0.00 2.94 2.64 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 0.00 55 G 6.14 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.63 4.63 0.00 3.15 2.86 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 57 Q 8.91 4.24 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 58 S 8.42 4.21 0.00 3.94 4.02 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 59 T 8.14 4.25 5.04 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 1.69 0.00 0.00 60 W 8.51 3.91 0.00 3.22 3.23 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 61 D 8.89 4.45 0.00 2.78 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 62 K 8.33 3.90 0.00 1.89 1.84 0.00 1.31 0.00 0.00 1.48 0.00 0.00 2.68 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.83 1.22 7.81 63 A 8.47 4.19 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.96 3.74 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.04 0.00 0.00 0.00 0.00 0.00 1.95 2.32 0.00 65 K 7.92 3.95 0.00 1.83 1.93 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 66 R 8.10 4.15 0.00 1.85 1.92 0.00 2.88 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 67 G 7.49 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.73 3.96 2.31 0.00 0.00 0.00 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 1.10 0.00 0.00 69 K 8.41 3.98 0.00 1.46 1.39 0.00 1.36 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.22 7.81 70 L 8.19 4.82 0.00 1.07 1.17 -0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.54 4.44 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.64 0.00 0.00 72 S 8.31 4.99 0.00 4.15 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 0.00 73 V 8.16 3.48 1.68 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 0.15 0.00 0.00 0.82 0.00 0.00 74 L 7.93 3.85 0.00 1.74 1.70 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.45 4.19 0.00 3.76 3.53 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 76 V 7.69 3.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.21 0.00 0.00 77 E 8.20 3.84 0.00 2.05 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 2.20 2.29 0.00 78 K 8.04 3.79 0.00 1.56 1.66 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.66 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.01 0.21 7.81 79 C 7.70 4.30 0.00 2.53 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.60 3.83 0.00 1.92 1.91 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 81 T 7.86 3.98 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 1.17 0.00 0.00 82 A 8.14 4.16 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 83 G 8.22 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 84 A 7.36 4.44 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 85 H 8.50 4.67 0.00 3.38 3.30 0.00 5.75 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 86 I 7.89 4.13 1.99 0.00 0.00 0.93 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 0.98 1.23 0.00 0.00 87 D 8.87 4.55 0.00 2.75 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 88 E 9.01 3.79 0.00 1.96 1.64 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 1.96 1.60 0.00 89 S 8.16 4.36 0.00 3.93 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 90 L 7.71 3.86 0.00 1.56 0.56 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.70 5.06 0.00 3.34 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 92 P 0.00 4.59 0.00 2.12 2.04 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 93 A 8.24 4.54 1.46 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 94 A 8.74 4.81 1.24 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 0.00 0.00 95 N 7.83 4.63 0.00 1.44 1.50 0.00 0.00 6.53 6.19 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 *97 N 8.70 4.46 0.00 2.79 2.68 0.00 0.00 6.57 7.54 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 * Residues marked with a * may have inaccurate shift predictions.