NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.1997 8.2431 119.0728 57.3291 31.0246 175.0604 -1 G 3.8112 8.9214 109.5419 43.4033 0.0000 172.2004 0 S 4.2153 7.9899 114.3563 57.9533 64.5789 171.8976 1 M 4.2277 8.5444 122.8165 55.7665 33.2305 174.5469 2 I 4.6432 8.3251 126.6401 59.7454 39.4523 175.3610 3 R 4.5167 8.9995 126.4406 55.4277 32.4246 175.5932 4 T 5.0012 8.3823 118.5212 62.5523 69.8199 173.9851 5 M 5.0121 9.1298 126.5159 52.7790 36.1122 175.0507 6 L 3.2838 8.7437 124.1752 55.7914 41.7862 176.4464 7 Q 4.4884 9.1025 129.2104 58.6650 30.3308 175.5616 8 G 4.2794 7.8869 103.2195 46.6421 0.0000 172.0887 9 K 5.0371 8.3745 118.1206 55.6051 36.6751 174.9398 10 L 4.9004 8.9255 122.6420 53.7484 43.5631 175.2431 11 H 4.8778 9.3321 126.2989 54.6828 30.9716 175.3177 12 R 4.1294 8.3680 126.6524 57.4136 26.9951 176.9677 13 V 3.8120 7.2047 110.7274 61.0659 33.3901 176.3010 14 K 4.9516 8.8805 124.5963 54.4653 34.0022 176.1475 15 V 3.9826 8.7877 128.4642 63.5533 31.8821 176.2200 16 T 4.4438 9.0111 118.0741 62.5365 70.4298 174.1560 17 H 4.8827 7.9982 120.7676 55.0807 33.6492 172.4730 18 A 5.4123 8.0026 126.3289 51.7224 21.4645 175.1623 19 D 4.5455 9.1740 122.5344 53.1406 43.6140 176.3376 20 L 3.9752 8.7392 128.2923 58.5833 42.6010 177.6642 21 H 4.4433 8.4381 116.0127 59.0322 29.0259 176.6648 *22 Y 4.4512 8.0044 114.2978 56.8072 37.5005 176.6473 23 E 4.9235 7.6697 117.0702 55.4886 33.6753 175.2958 24 G 3.9318 8.6637 107.0368 47.0788 0.0000 173.5585 25 T 4.3031 7.6231 115.7078 62.0347 69.7871 174.9917 26 C 4.6055 8.3016 123.3873 59.8013 29.7055 172.4354 27 A 5.1692 8.8147 123.3330 50.3659 22.6576 175.0814 28 I 4.9770 8.5074 120.9557 59.0893 41.8687 174.2524 29 D 4.3436 8.4555 125.5289 54.9847 41.2537 177.4178 30 Q 3.9867 8.7965 126.7749 59.5885 28.9530 178.4037 31 D 4.4002 8.6459 120.2349 57.3246 40.8007 178.8387 32 F 4.6151 8.1351 118.3427 60.5775 38.9724 177.5450 33 L 4.0260 8.0990 118.1733 58.1010 41.5496 179.1310 34 D 4.3928 8.4575 118.5620 57.5226 40.5783 178.8801 35 A 4.0469 8.0474 119.6956 54.5476 18.8033 178.5624 36 A 4.6091 8.2081 117.2478 51.3661 18.9758 178.3866 37 G 4.0262 7.5244 104.3245 45.8405 0.0000 174.0406 38 I 4.3090 7.6730 120.0568 60.3577 38.1899 175.5628 39 L 4.6483 8.9822 124.5512 52.5697 43.4172 175.8858 40 E 4.2204 8.5510 121.8717 58.2898 29.7726 176.9376 41 N 4.5919 9.5230 122.0959 53.4636 37.0125 173.8917 42 E 4.3499 8.0746 120.4114 55.3448 31.0409 175.8228 43 A 4.5745 8.7340 128.1521 52.6397 19.0465 176.7400 44 I 4.8133 8.9736 115.0081 59.2155 41.6795 173.8248 45 D 5.0787 8.8123 123.7995 52.7364 43.3428 175.3733 46 I 4.3744 8.0344 123.7510 59.0199 40.1094 174.4633 47 W 5.2291 8.7346 127.5846 54.9477 31.7001 174.6517 48 N 4.9002 9.4493 126.1128 52.5379 38.5648 175.7599 49 V 3.6244 8.6964 128.2974 66.5430 31.7621 177.8204 50 T 4.0797 8.3715 116.5380 66.0037 68.4137 174.8095 51 N 4.8019 8.5542 114.7484 51.9053 38.1739 175.5741 52 G 4.0187 8.5323 107.6439 45.4141 0.0000 174.2436 53 K 4.3905 8.5442 120.1854 56.5885 33.4110 176.3246 54 R 5.5122 8.6274 121.6338 54.6665 33.6694 174.4373 55 F 5.1175 8.9979 117.4755 56.0313 41.9715 173.0198 56 S 5.1300 8.6985 114.6849 57.5285 65.7037 174.1848 57 T 4.6593 8.6732 117.9080 61.9318 71.2152 171.3663 58 Y 5.5469 8.6047 116.6477 54.9240 41.7357 174.3083 59 A 4.9416 8.6498 120.6117 50.1243 23.0795 175.1785 60 I 4.7286 8.3775 113.1202 58.8667 41.0484 174.4200 61 A 4.7564 8.4254 124.6078 51.7221 19.0502 177.4297 62 A 4.4791 8.7615 124.5708 50.0568 21.6731 176.0643 63 E 4.0439 8.6832 119.2861 56.6744 30.5845 176.9078 64 R 4.1953 8.5278 125.4034 58.0566 30.4947 177.1776 65 G 3.9776 8.5415 111.3449 45.2867 0.0000 174.5917 66 S 4.0978 7.7115 113.7986 59.2655 63.2219 174.8589 67 R 3.5939 8.3329 118.4736 56.8640 28.3186 175.9119 68 I 4.0057 7.0953 118.6760 61.3433 38.6176 175.4673 69 I 4.8742 8.8007 126.6128 59.7347 40.3423 173.9834 70 S 5.1100 9.1818 123.3064 56.3484 64.8604 172.8955 71 V 4.5314 8.9200 128.1822 61.5270 33.0488 173.7087 72 N 5.1584 8.3492 124.5781 51.6535 42.4169 175.7557 73 G 3.6768 8.5946 106.4736 45.9623 0.0000 175.2372 74 A 3.9456 8.6104 120.4898 55.1953 18.5779 179.7051 75 A 3.6015 7.8287 117.0294 54.4733 18.5221 178.3450 76 A 4.0789 7.6813 117.9605 54.6436 18.4233 178.2649 77 H 4.3220 7.8043 112.5142 55.9627 28.2687 175.2466 77 A 3.9120 7.6243 118.1142 53.4627 18.3687 178.9466 80 S 4.7116 8.7325 114.3595 56.0484 66.9605 174.3252 81 V 3.8993 8.2653 122.0095 64.8430 31.4655 175.6057 82 G 4.1222 8.9543 115.6828 45.5129 0.0000 173.8118 83 D 4.5489 8.1617 119.5760 54.6337 42.2761 175.6587 84 I 4.7308 8.6490 123.3732 60.4041 38.8006 175.4196 85 V 5.0370 8.9340 119.5585 59.6649 36.4404 174.3013 86 I 4.7070 8.7412 123.1305 59.6812 40.0004 174.8135 87 I 4.5817 8.4181 127.0311 59.3451 39.7916 174.4957 88 A 5.0719 8.5337 129.0413 49.8289 22.4646 174.7579 89 S 5.0792 8.5546 113.9880 56.4778 66.6151 172.9470 90 F 5.2291 8.8737 119.0767 55.9105 42.1067 174.6723 91 V 4.6788 8.8060 115.1784 59.7263 35.7434 174.3843 92 T 5.6086 8.2915 111.4563 59.9048 71.1090 173.2457 93 M 4.6014 7.9857 118.4398 53.8381 34.4980 172.3765 94 P 4.7901 0.0000 0.0000 62.3241 32.5833 177.0414 95 D 4.3571 8.4545 120.2318 57.7707 40.7441 178.6824 96 E 3.9249 8.0612 117.9815 59.3074 30.0468 177.8838 97 E 4.1161 8.2071 118.6772 59.2617 29.6340 178.3866 98 A 4.1299 8.2142 120.8444 55.2621 18.2233 179.5840 99 R 4.1880 8.0103 115.2720 58.1499 30.1613 177.4899 100 T 4.6208 7.4444 106.4352 60.5395 69.5270 173.8903 101 W 4.2365 8.1408 134.9822 58.3053 31.1537 176.2577 102 R 4.1640 6.8154 123.0698 53.2783 30.5934 172.4368 103 P 4.4963 0.0000 0.0000 61.8329 32.6508 176.8150 104 N 4.5853 9.0904 120.8524 52.3217 39.0070 173.7538 105 V 4.7089 8.1084 123.3408 60.7048 33.6957 174.4348 106 A 4.6331 8.6320 129.2283 50.2445 21.9548 174.2846 107 Y 4.9724 8.3014 119.2769 56.2915 40.6776 174.8637 108 F 5.3662 8.8094 120.9307 55.9354 42.8874 173.8215 109 E 4.6501 9.1440 118.0561 54.4133 33.4961 177.4429 110 G 3.8665 8.7490 109.7126 47.3452 0.0000 176.0350 111 D 4.5918 8.7851 120.1693 54.3002 39.9774 175.3625 112 N 4.2451 7.8255 112.4319 54.2806 37.1197 174.8562 113 E 4.4315 8.4712 119.0536 55.5827 31.3771 175.2553 114 M 3.7963 8.5553 127.6061 54.7606 32.6655 176.0468 115 K 4.1697 8.7750 129.0470 56.8827 33.2878 178.2644 116 R 4.1023 8.3091 119.6057 56.5849 29.4844 177.3559 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 R 8.24 4.20 0.00 1.85 1.79 0.00 3.30 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 -1 G 8.92 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 0 S 7.99 4.22 0.00 3.99 3.88 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 0.00 0.00 0.00 1 M 8.54 4.23 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 2 I 8.33 4.64 1.86 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 1.49 1.01 0.88 0.00 0.00 3 R 9.00 4.52 0.00 1.79 1.84 0.00 3.29 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 4 T 8.38 5.00 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 1.23 0.00 0.00 5 M 9.13 5.01 0.00 1.86 1.65 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 6 L 8.74 3.28 0.00 1.51 1.62 0.46 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.10 4.49 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 8 G 7.89 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 0.00 0.00 0.00 9 K 8.37 5.04 0.00 1.81 1.71 0.00 1.33 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.21 1.28 7.81 10 L 8.93 4.90 0.00 1.39 1.31 0.86 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 H 9.33 4.88 0.00 3.00 3.14 0.00 5.90 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.37 4.13 0.00 2.03 2.02 0.00 3.23 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.33 0.00 13 V 7.20 3.81 1.72 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 -0.72 0.00 0.00 0.75 0.00 0.00 14 K 8.88 4.95 0.00 1.70 1.76 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.61 7.81 15 V 8.79 3.98 2.26 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 1.07 0.00 0.00 0.96 0.00 0.00 16 T 9.01 4.44 4.27 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 1.38 0.00 0.00 17 H 8.00 4.88 0.00 3.24 3.12 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.00 5.41 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 19 D 9.17 4.55 0.00 2.75 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 20 L 8.74 3.98 0.00 1.43 1.38 0.62 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.44 4.44 0.00 3.15 3.31 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 Y 8.00 4.45 0.00 2.34 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 0.00 0.00 0.00 23 E 7.67 4.92 0.00 2.10 1.83 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 2.23 2.24 0.00 24 G 8.66 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.62 4.30 4.21 0.00 0.00 0.00 0.00 0.00 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 26 C 8.30 4.61 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 27 A 8.81 5.17 1.14 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 0.00 0.00 28 I 8.51 4.98 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 1.00 0.00 0.00 29 D 8.46 4.34 0.00 2.09 1.54 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 30 Q 8.80 3.99 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 31 D 8.65 4.40 0.00 2.82 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 32 F 8.14 4.62 0.00 3.13 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 33 L 8.10 4.03 0.00 1.90 1.99 0.93 1.12 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 34 D 8.46 4.39 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.05 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.61 1.35 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 0.00 0.00 37 G 7.52 4.03 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 0.00 0.00 0.00 38 I 7.67 4.31 1.88 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 1.27 0.76 0.93 0.00 0.00 39 L 8.98 4.65 0.00 1.67 1.58 0.93 0.71 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 40 E 8.55 4.22 0.00 1.94 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 2.34 2.41 0.00 41 N 9.52 4.59 0.00 2.89 2.92 0.00 0.00 6.99 7.52 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 42 E 8.07 4.35 0.00 2.14 1.92 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 2.33 2.28 0.00 43 A 8.73 4.57 1.28 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 0.00 0.00 44 I 8.97 4.81 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.98 0.92 0.00 0.00 45 D 8.81 5.08 0.00 2.05 2.36 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 46 I 8.03 4.37 0.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.27 0.70 0.00 0.00 47 W 8.73 5.23 0.00 3.33 2.93 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 0.00 0.00 0.00 0.00 48 N 9.45 4.90 0.00 2.93 3.12 0.00 0.00 6.43 7.38 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 49 V 8.70 3.62 2.23 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 0.83 0.00 0.00 0.99 0.00 0.00 50 T 8.37 4.08 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 51 N 8.55 4.80 0.00 2.82 2.91 0.00 0.00 7.16 6.36 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 52 G 8.53 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 0.00 0.00 0.00 53 K 8.54 4.39 0.00 1.96 1.90 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.58 7.81 54 R 8.63 5.51 0.00 1.78 2.07 0.00 3.15 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 55 F 9.00 5.12 0.00 3.08 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.70 5.13 0.00 3.81 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 57 T 8.67 4.66 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 1.23 0.00 0.00 58 Y 8.60 5.55 0.00 3.09 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 59 A 8.65 4.94 1.17 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 0.00 0.00 60 I 8.38 4.73 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 1.05 0.00 0.00 61 A 8.43 4.76 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.76 4.48 1.12 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 0.00 0.00 63 E 8.68 4.04 0.00 2.02 1.81 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 2.34 2.35 0.00 64 R 8.53 4.20 0.00 1.81 1.84 0.00 3.26 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 1.61 1.61 0.00 65 G 8.54 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 66 S 7.71 4.10 0.00 3.94 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 67 R 8.33 3.59 0.00 1.97 2.26 0.00 3.30 0.00 0.00 3.77 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 68 I 7.10 4.01 1.77 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 1.19 0.99 0.89 0.00 0.00 69 I 8.80 4.87 2.04 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 1.21 1.02 0.89 0.00 0.00 70 S 9.18 5.11 0.00 3.82 3.67 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 71 V 8.92 4.53 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.01 0.00 0.00 72 N 8.35 5.16 0.00 2.73 2.80 0.00 0.00 7.15 7.65 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 73 G 8.59 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 74 A 8.61 3.95 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 75 A 7.83 3.60 1.15 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 0.00 0.00 76 A 7.68 4.08 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 77 H 7.80 4.32 0.00 3.19 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.62 3.91 1.38 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 0.00 0.00 80 S 8.73 4.71 0.00 3.84 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 81 V 8.27 3.90 2.07 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 0.78 0.00 0.00 0.96 0.00 0.00 82 G 8.95 4.12 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 0.00 0.00 0.00 83 D 8.16 4.55 0.00 2.74 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 84 I 8.65 4.73 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.91 0.00 0.00 85 V 8.93 5.04 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 0.90 0.00 0.00 0.93 0.00 0.00 86 I 8.74 4.71 2.12 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 1.57 1.41 1.06 0.00 0.00 87 I 8.42 4.58 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.74 0.00 0.00 88 A 8.53 5.07 0.61 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 0.00 0.00 89 S 8.55 5.08 0.00 4.07 3.88 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 0.00 0.00 0.00 90 F 8.87 5.23 0.00 2.87 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 91 V 8.81 4.68 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 0.66 0.00 0.00 0.52 0.00 0.00 92 T 8.29 5.61 4.20 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 1.20 0.00 0.00 93 M 7.99 4.60 0.00 1.83 2.21 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 94 P 0.00 4.79 0.00 2.19 2.00 0.00 3.73 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 2.10 2.05 0.00 95 D 8.45 4.36 0.00 2.74 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 96 E 8.06 3.92 0.00 2.02 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 2.32 2.39 0.00 97 E 8.21 4.12 0.00 2.10 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 0.00 2.48 2.48 0.00 98 A 8.21 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.01 4.19 0.00 2.01 2.04 0.00 3.13 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 100 T 7.44 4.62 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 1.25 0.00 0.00 101 W 8.14 4.24 0.00 3.48 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 0.00 102 R 6.82 4.16 0.00 1.83 1.69 0.00 3.33 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 103 P 0.00 4.50 0.00 1.87 2.15 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.42 0.00 104 N 9.09 4.59 0.00 2.78 2.92 0.00 0.00 6.70 7.83 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 0.00 105 V 8.11 4.71 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 -0.01 0.00 0.00 0.83 0.00 0.00 106 A 8.63 4.63 1.12 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 0.00 0.00 107 Y 8.30 4.97 0.00 2.81 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 0.00 108 F 8.81 5.37 0.00 3.08 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 0.00 109 E 9.14 4.65 0.00 2.03 2.04 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 2.33 2.29 0.00 110 G 8.75 3.87 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 0.00 0.00 0.00 111 D 8.79 4.59 0.00 2.67 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 0.00 112 N 7.83 4.25 0.00 3.06 3.04 0.00 0.00 7.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.47 4.43 0.00 2.14 2.03 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 2.29 2.28 0.00 114 M 8.56 3.80 0.00 1.90 1.53 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 1.99 2.31 0.00 115 K 8.78 4.17 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.47 7.81 116 R 8.31 4.10 0.00 1.83 1.69 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.