NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2235 8.3444 119.6881 54.9704 30.1498 174.1054 4 L 3.8773 8.4367 121.0150 54.3218 42.2774 175.9440 5 T 4.3812 9.7454 119.0507 61.0152 72.3531 175.1268 6 E 4.0323 8.5304 120.7005 59.2439 29.4912 179.1540 7 E 3.8789 8.0823 119.1287 59.4396 29.7459 178.7653 8 Q 3.6888 7.9281 117.9512 58.6492 28.6546 178.8129 9 I 3.9113 7.5550 120.2676 64.5395 37.2316 178.3623 10 A 4.0361 7.9547 121.4901 55.1220 18.1236 179.5446 11 E 3.9147 8.1750 117.1305 59.7084 29.4598 179.6700 12 F 4.9346 8.4917 118.0860 60.3968 39.0509 177.6896 13 K 3.7632 8.3270 119.7966 58.9905 31.6601 178.6045 14 E 3.9450 8.0588 118.9032 59.2032 29.8645 178.2120 15 A 4.3603 8.4775 120.9391 55.3424 18.5073 179.1105 16 F 3.3865 8.8691 119.7064 61.4630 39.1700 177.4257 17 S 4.1741 7.9297 111.4195 60.7218 62.8501 175.9589 18 L 4.0341 8.0276 122.5859 56.9560 41.3524 178.4673 19 F 4.3193 7.8203 116.4297 58.9766 41.2716 176.9767 20 D 4.4974 7.5940 119.2511 52.4506 37.3358 176.1930 21 K 3.7911 7.8842 123.2847 59.4249 32.6163 178.2959 22 D 4.4339 7.9770 114.7667 53.3996 39.5212 176.6138 23 G 3.9338 7.9014 107.8683 46.8437 0.0000 174.1482 24 D 4.5191 8.4269 117.0484 53.1565 39.3533 177.3629 25 G 4.1871 9.3439 109.6405 45.6541 0.0000 173.0175 26 T 5.1815 8.0814 108.4343 59.9749 72.4026 173.3002 27 I 4.6775 8.7906 124.4454 60.0413 39.5646 175.5934 28 T 4.7572 8.8146 117.7947 60.0465 71.4496 175.8028 29 T 3.8935 8.5264 111.6368 64.8715 68.4461 176.4597 30 K 3.9458 7.9769 120.6746 59.4224 32.2596 178.9758 31 E 3.9855 7.9528 118.8288 59.2918 29.3297 179.1934 32 L 4.2631 8.2627 120.6163 58.0318 42.0934 179.2691 33 G 3.6298 8.5924 106.4225 48.1178 0.0000 175.8591 34 T 3.8874 8.0234 112.6241 64.2864 68.4970 176.9071 35 V 3.6168 7.6856 122.3935 65.4943 31.5204 177.9633 36 M 4.1059 8.2713 118.5767 58.5292 31.7894 179.0141 37 R 4.6631 8.5388 119.9293 58.6708 30.0603 179.1800 38 S 4.1996 8.0682 113.9266 60.5142 62.6672 175.3999 39 L 4.5026 7.1899 121.1830 54.0194 41.6304 177.3309 40 G 3.8644 7.8583 106.3203 45.9174 0.0000 174.2065 41 Q 4.5100 7.9238 118.9929 54.8739 30.2385 174.6572 42 N 5.2430 8.0606 117.6069 51.4114 39.0993 171.9494 43 P 5.3055 0.0000 0.0000 61.3720 33.0908 177.5919 44 T 4.4180 8.2556 110.7335 60.5946 71.6735 175.4674 45 E 3.9724 8.7293 119.6014 59.6032 29.3327 179.2755 46 A 3.9969 7.8897 121.2158 55.1156 18.6569 179.2810 47 E 3.9726 8.1559 117.0620 59.4555 29.6051 179.5466 48 L 4.0389 8.0684 119.1187 57.9444 41.6158 179.6183 49 Q 4.0442 7.8938 117.6090 58.9670 28.6056 178.5238 50 D 4.3474 8.0615 119.6563 57.5676 40.5474 178.6520 51 M 4.3358 7.9499 120.5214 57.9773 31.8877 178.9571 52 I 3.6349 7.6811 119.5446 64.5301 37.1044 178.3335 53 N 4.3797 8.1907 115.9398 55.9430 38.0615 177.0127 54 E 4.1072 8.3330 120.3585 58.3456 29.3355 178.4226 55 V 3.9370 7.0763 116.3686 63.0693 32.6285 175.1006 56 D 4.4482 8.1963 118.8905 53.7951 40.1510 175.7694 57 A 4.0841 8.8171 130.5714 55.3120 18.5087 178.1019 58 D 4.6345 8.4090 112.0781 52.6607 39.5180 176.2169 59 G 4.0444 8.0392 106.0025 46.9735 0.0000 173.8392 60 N 4.6156 8.2015 113.9257 52.3214 37.4104 176.0382 61 G 4.0361 9.2551 109.3356 45.4142 0.0000 173.4351 62 T 4.8577 7.4461 107.9301 59.8744 72.2806 173.4737 63 I 5.3972 8.6123 122.7957 59.1195 39.5537 175.7033 64 D 5.4223 8.8316 126.7727 51.2701 41.9802 177.2611 65 F 3.3859 8.5903 119.6290 60.8496 38.9876 174.9137 66 P 3.9372 0.0000 0.0000 65.6680 31.1239 178.3818 67 E 3.8855 8.4822 117.2336 59.2704 29.3428 179.2878 68 F 4.0671 8.1191 120.5496 61.0104 39.4790 176.9293 69 L 3.5312 7.9331 120.2688 58.2576 41.8155 178.8975 70 T 3.6820 7.7702 115.7512 66.8454 68.2020 175.9680 71 M 3.8133 7.4175 118.2563 59.1258 32.3057 177.9273 72 M 3.6573 7.6070 117.2441 57.8866 31.9148 178.3277 73 A 4.0370 7.8927 120.6287 54.2623 18.8865 178.5608 74 R 4.0015 7.0172 116.6800 56.8374 30.7391 176.7058 75 K 4.6870 8.2458 122.6342 53.9216 35.8065 176.6727 76 M 4.8325 8.1334 117.4221 54.2067 35.5565 176.2524 77 K 4.4129 8.3544 121.7381 55.3399 32.9185 178.1320 78 D 4.6263 8.5265 116.8594 57.3704 39.8498 176.4307 *79 T 4.0883 7.8882 111.2996 64.6383 68.7227 181.3973 *80 D 4.6118 7.6522 119.0280 54.3147 37.8341 179.6708 81 S 3.6634 8.2823 115.0193 58.0811 60.3883 171.9909 82 E 4.0772 8.2098 124.5317 58.5680 29.5740 177.4245 83 E 3.9709 8.2083 119.2303 59.1626 29.6605 178.4267 84 E 4.0346 8.0497 118.3604 59.5061 29.4620 179.3572 85 I 3.9653 7.8858 119.3766 64.3802 37.2659 178.2178 86 R 4.0322 8.5222 119.7850 59.7152 29.7246 178.4936 87 E 4.0450 8.3653 116.9117 59.2738 29.7253 178.9069 88 A 4.2856 8.5744 121.1821 55.0892 18.4511 179.2717 89 F 3.3621 8.7123 119.4818 61.5533 39.1966 177.6074 90 R 3.7841 7.9518 116.0254 59.2643 29.8423 179.1808 91 V 3.6501 7.5071 111.5111 63.6655 31.4830 178.2727 92 F 4.2059 7.6779 116.4906 59.6247 40.8968 177.0631 93 D 4.6817 7.5732 118.9456 53.2022 36.9267 176.4521 94 K 3.8748 7.7843 121.9653 59.2327 32.7760 178.0496 95 D 4.5001 8.2615 115.1734 52.8120 39.6740 176.7121 96 G 3.9572 7.9467 107.6325 46.6865 0.0000 174.5081 97 N 4.5136 8.3797 115.9647 53.3416 37.4695 176.0593 98 G 4.0627 9.6375 108.7477 45.1441 0.0000 172.3667 99 Y 5.1321 7.9119 116.2064 56.1792 41.8925 174.9491 100 I 4.5276 9.0238 125.5602 60.4212 38.6930 175.8624 101 S 4.9030 8.9310 122.3005 56.8488 65.2807 175.3616 102 A 3.9577 8.6395 121.3316 55.1138 17.9942 179.6675 103 A 3.8341 7.9127 118.7868 55.4075 18.6626 179.5461 104 E 3.9036 8.1802 117.0516 59.3978 29.5113 179.3872 105 L 4.2194 8.2528 120.6291 58.2172 42.1683 178.9821 106 R 3.9134 8.3820 119.0651 59.7450 30.0057 178.0934 107 H 4.2348 8.2521 116.0392 58.9353 28.5798 177.9393 108 V 3.4856 7.7237 119.4089 66.2401 31.2804 177.9427 109 M 4.0954 8.0935 118.4001 58.8023 31.7512 178.8887 110 T 3.9769 8.0881 115.8630 66.7149 68.4408 176.2077 111 N 4.3173 8.0161 117.3887 55.7819 39.0448 175.9434 112 L 4.3292 7.4289 118.4624 54.6211 42.0703 177.3399 113 G 3.7962 8.0454 107.3875 45.4047 0.0000 172.4833 114 E 4.3523 8.4359 123.1301 54.5538 30.6731 176.4534 115 K 4.3734 8.5378 128.4827 53.2565 31.3671 172.1066 116 L 4.9018 8.1317 125.0050 52.8827 43.5304 177.7896 117 T 4.4808 8.4982 112.9002 60.7829 72.3074 175.3531 118 D 4.3649 8.4435 119.2748 57.5825 40.8968 178.5389 119 E 3.9744 8.1457 118.7491 59.5453 29.5276 179.1554 120 E 4.0076 7.9393 118.1663 59.2230 29.4938 179.5609 121 V 3.6013 7.5754 118.4621 66.2016 31.5710 177.8532 122 D 4.3604 8.0893 118.6600 57.2826 40.5730 178.4296 123 E 3.8766 8.1057 119.4305 59.5512 29.8059 178.8118 124 M 4.0751 8.1202 118.7617 58.3415 31.9062 178.9068 125 I 3.8095 7.9505 120.0079 64.3903 37.1261 178.2850 126 R 3.8810 8.3427 118.6921 59.7479 29.9515 178.1755 127 E 4.0793 8.3486 116.6919 58.5657 29.4847 178.2592 128 A 4.4755 7.3604 118.2181 52.0018 19.6970 176.9249 129 D 4.4031 7.9083 118.1093 54.6654 41.7105 175.3422 130 I 4.1974 8.6972 127.3430 63.4331 38.1315 176.8981 131 D 4.4037 8.5325 117.3234 54.1623 39.4698 177.2775 132 G 3.9265 8.2250 108.0798 45.8730 0.0000 173.9421 133 D 4.4173 8.0496 117.8769 53.6409 39.6254 177.4423 134 G 3.9507 8.9395 108.5209 45.6471 0.0000 172.7816 135 Q 4.8254 8.1942 116.8823 54.0159 33.4946 174.6703 136 V 4.7298 8.5571 120.6102 61.4898 33.6952 175.2081 137 N 5.1680 9.1410 126.3730 51.1319 39.5702 175.5245 138 Y 3.1047 8.2346 118.2667 60.6496 38.6934 177.7178 139 E 3.7172 8.0010 118.9393 59.4069 29.7323 179.0609 140 E 3.9849 9.0403 119.0654 59.0804 29.4674 179.2111 141 F 4.0509 8.2835 121.0905 61.0924 39.5255 177.1573 142 V 3.2913 7.6106 118.1387 66.2900 31.0330 177.9518 143 Q 4.0003 7.7223 117.0833 59.1063 28.2572 178.6443 144 M 3.9399 7.5319 118.0971 58.8589 32.3933 178.0092 145 M 4.1311 7.5743 118.9699 58.2482 31.8939 177.9857 146 T 4.2978 8.0424 107.5554 61.0782 69.3979 174.0929 147 A 3.8683 7.3551 121.0588 52.9767 17.0259 178.1840 148 K 4.0801 7.6519 122.6661 58.4751 33.5610 175.6998 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 3 Q 8.34 4.22 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 4 L 8.44 3.88 0.00 1.70 1.66 1.17 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.75 4.38 4.22 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 1.20 0.00 0.00 6 E 8.53 4.03 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 2.41 2.37 0.00 7 E 8.08 3.88 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 8 Q 7.93 3.69 0.00 2.23 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 9 I 7.55 3.91 2.10 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 1.61 0.93 1.13 0.00 0.00 10 A 7.95 4.04 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 11 E 8.17 3.91 0.00 1.81 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 2.27 2.46 0.00 12 F 8.49 4.93 0.00 3.50 3.35 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 13 K 8.33 3.76 0.00 1.70 1.88 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.09 1.27 7.81 14 E 8.06 3.95 0.00 2.06 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 0.00 2.38 2.45 0.00 15 A 8.48 4.36 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 0.00 0.00 0.00 0.00 0.00 16 F 8.87 3.39 0.00 3.20 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 17 S 7.93 4.17 0.00 4.09 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 18 L 8.03 4.03 0.00 1.67 1.49 0.89 0.95 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 19 F 7.82 4.32 0.00 2.72 2.92 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 20 D 7.59 4.50 0.00 2.10 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 21 K 7.88 3.79 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.35 7.81 22 D 7.98 4.43 0.00 2.71 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 23 G 7.90 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 24 D 8.43 4.52 0.00 2.85 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 25 G 9.34 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 26 T 8.08 5.18 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 1.29 0.00 0.00 27 I 8.79 4.68 1.80 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.04 0.90 0.00 0.00 28 T 8.81 4.76 4.25 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 1.22 0.00 0.00 29 T 8.53 3.89 4.26 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 1.22 0.00 0.00 30 K 7.98 3.95 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.54 7.81 31 E 7.95 3.99 0.00 2.10 2.24 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 2.31 2.31 0.00 32 L 8.26 4.26 0.00 1.92 1.89 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.59 3.63 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 0.00 0.00 0.00 34 T 8.02 3.89 4.22 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 1.25 0.00 0.00 35 V 7.69 3.62 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 0.98 0.00 0.00 0.65 0.00 0.00 36 M 8.27 4.11 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.67 0.00 37 R 8.54 4.66 0.00 1.96 1.96 0.00 3.13 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 38 S 8.07 4.20 0.00 4.12 4.07 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 39 L 7.19 4.50 0.00 1.73 1.65 0.92 0.72 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 40 G 7.86 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 0.00 0.00 0.00 41 Q 7.92 4.51 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 42 N 8.06 5.24 0.00 2.61 2.65 0.00 0.00 7.05 7.69 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 43 P 0.00 5.31 0.00 2.24 2.05 0.00 3.42 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 44 T 8.26 4.42 4.25 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 1.29 0.00 0.00 45 E 8.73 3.97 0.00 2.26 2.28 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 2.37 2.46 0.00 46 A 7.89 4.00 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 47 E 8.16 3.97 0.00 2.07 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 2.34 2.36 0.00 48 L 8.07 4.04 0.00 1.91 1.74 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.89 4.04 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 50 D 8.06 4.35 0.00 2.87 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 51 M 7.95 4.34 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.46 0.00 52 I 7.68 3.63 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.01 0.98 0.00 0.00 53 N 8.19 4.38 0.00 2.79 2.88 0.00 0.00 7.12 7.21 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 54 E 8.33 4.11 0.00 2.17 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 2.32 2.63 0.00 55 V 7.08 3.94 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 0.73 0.00 0.00 0.93 0.00 0.00 56 D 8.20 4.45 0.00 2.84 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 57 A 8.82 4.08 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 58 D 8.41 4.63 0.00 2.80 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 59 G 8.04 4.04 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 0.00 0.00 0.00 60 N 8.20 4.62 0.00 2.86 2.94 0.00 0.00 6.96 6.66 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 61 G 9.26 4.04 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 0.00 0.00 0.00 62 T 7.45 4.86 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 1.23 0.00 0.00 63 I 8.61 5.40 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.53 1.11 0.00 0.00 64 D 8.83 5.42 0.00 2.84 2.88 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 65 F 8.59 3.39 0.00 2.23 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 66 P 0.00 3.94 0.00 2.24 2.01 0.00 3.78 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 2.10 2.16 0.00 67 E 8.48 3.89 0.00 2.21 2.16 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 2.32 2.44 0.00 68 F 8.12 4.07 0.00 3.33 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 69 L 7.93 3.53 0.00 1.14 1.37 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.77 3.68 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 1.12 0.00 0.00 71 M 7.42 3.81 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 72 M 7.61 3.66 0.00 0.51 1.32 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 73 A 7.89 4.04 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 74 R 7.02 4.00 0.00 1.72 1.81 0.00 3.03 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 75 K 8.25 4.69 0.00 1.71 1.51 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.96 7.81 76 M 8.13 4.83 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.09 0.00 77 K 8.35 4.41 0.00 1.68 1.74 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.00 7.81 78 D 8.53 4.63 0.00 2.69 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 *79 T 7.89 4.09 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 1.21 0.00 0.00 *80 D 7.65 4.61 0.00 2.72 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 81 S 8.28 3.66 0.00 3.96 3.84 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 82 E 8.21 4.08 0.00 2.10 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 2.53 2.40 0.00 83 E 8.21 3.97 0.00 2.15 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 2.40 2.50 0.00 84 E 8.05 4.03 0.00 2.27 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 2.38 2.40 0.00 85 I 7.89 3.97 2.28 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 1.60 0.93 1.16 0.00 0.00 86 R 8.52 4.03 0.00 2.10 2.21 0.00 2.50 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 87 E 8.37 4.05 0.00 2.22 2.05 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 2.38 2.69 0.00 88 A 8.57 4.29 1.77 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 0.00 0.00 89 F 8.71 3.36 0.00 3.02 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 90 R 7.95 3.78 0.00 2.02 1.96 0.00 3.20 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 91 V 7.51 3.65 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.47 0.00 0.00 92 F 7.68 4.21 0.00 2.88 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 93 D 7.57 4.68 0.00 1.87 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 0.00 0.00 0.00 94 K 7.78 3.87 0.00 1.78 1.85 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.57 7.81 95 D 8.26 4.50 0.00 2.81 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 96 G 7.95 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 97 N 8.38 4.51 0.00 3.01 3.02 0.00 0.00 7.13 6.34 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 98 G 9.64 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 0.00 0.00 0.00 99 Y 7.91 5.13 0.00 2.91 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 0.00 100 I 9.02 4.53 1.91 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.90 0.00 0.00 101 S 8.93 4.90 0.00 3.93 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 0.00 102 A 8.64 3.96 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 0.00 103 A 7.91 3.83 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 0.00 104 E 8.18 3.90 0.00 2.30 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 0.00 2.35 2.33 0.00 105 L 8.25 4.22 0.00 1.81 1.88 0.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.38 3.91 0.00 1.99 2.01 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 107 H 8.25 4.23 0.00 3.38 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.72 3.49 2.25 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 0.62 0.00 0.00 0.70 0.00 0.00 109 M 8.09 4.10 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.99 0.00 110 T 8.09 3.98 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 111 N 8.02 4.32 0.00 2.79 2.92 0.00 0.00 7.26 7.86 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 0.00 112 L 7.43 4.33 0.00 1.72 1.61 0.90 0.98 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 0.00 113 G 8.05 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 0.00 0.00 0.00 114 E 8.44 4.35 0.00 1.88 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 2.26 2.28 0.00 115 K 8.54 4.37 0.00 1.81 1.63 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 1.01 7.81 116 L 8.13 4.90 0.00 1.64 1.63 0.96 0.95 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 0.00 117 T 8.50 4.48 4.25 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 1.22 0.00 0.00 118 D 8.44 4.36 0.00 2.79 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 0.00 119 E 8.15 3.97 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 2.40 2.41 0.00 120 E 7.94 4.01 0.00 2.03 2.01 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 2.34 2.32 0.00 121 V 7.58 3.60 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 1.08 0.00 0.00 0.97 0.00 0.00 122 D 8.09 4.36 0.00 2.75 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 0.00 123 E 8.11 3.88 0.00 2.22 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 0.00 2.31 2.48 0.00 124 M 8.12 4.08 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 125 I 7.95 3.81 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 0.98 0.00 0.00 126 R 8.34 3.88 0.00 1.95 2.14 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 127 E 8.35 4.08 0.00 1.98 1.99 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 2.34 2.59 0.00 128 A 7.36 4.48 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 0.00 129 D 7.91 4.40 0.00 2.81 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 0.00 130 I 8.70 4.20 2.01 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 1.46 0.87 0.91 0.00 0.00 131 D 8.53 4.40 0.00 2.78 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 0.00 132 G 8.22 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 0.00 133 D 8.05 4.42 0.00 2.72 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 0.00 134 G 8.94 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 0.00 135 Q 8.19 4.83 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 136 V 8.56 4.73 2.22 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 1.28 0.00 0.00 1.00 0.00 0.00 137 N 9.14 5.17 0.00 2.62 2.90 0.00 0.00 6.46 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 0.00 138 Y 8.23 3.10 0.00 2.12 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 0.00 139 E 8.00 3.72 0.00 2.04 1.91 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 2.38 2.43 0.00 140 E 9.04 3.98 0.00 2.20 2.21 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 2.34 2.53 0.00 141 F 8.28 4.05 0.00 3.32 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 0.00 142 V 7.61 3.29 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 0.72 0.00 0.00 0.17 0.00 0.00 143 Q 7.72 4.00 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 144 M 7.53 3.94 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 145 M 7.57 4.13 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 146 T 8.04 4.30 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 1.19 0.00 0.00 147 A 7.36 3.87 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 0.00 148 K 7.65 4.08 0.00 1.76 1.63 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.