NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.9395 8.2833 118.0816 53.2311 39.9251 172.5737 5 K 5.1455 8.4241 121.6397 52.9081 36.5530 173.8717 6 I 5.0085 9.8409 117.0467 59.7412 42.2451 173.6166 7 T 5.3795 8.5967 117.6935 61.9490 72.0129 173.7722 8 A 4.5884 9.2681 127.6749 51.8959 22.3648 176.5218 9 G 4.1020 9.9004 109.8414 46.5012 0.0000 174.9009 10 G 3.9134 8.5721 106.8341 44.7063 0.0000 173.5967 11 L 4.4387 7.7525 122.5835 52.9120 43.5159 174.8510 12 E 4.6412 8.3232 127.0287 56.0120 30.6656 175.4728 13 F 4.9559 9.5834 124.4873 55.6432 42.9165 174.0035 14 L 4.8179 9.2502 123.1903 53.6619 43.3980 175.6227 15 V 4.2686 8.3482 123.9904 60.8994 33.2651 174.9636 16 R 4.5606 7.8346 122.6804 54.5260 33.1632 174.2639 17 F 4.4988 8.6184 119.0528 56.8914 39.8029 175.4212 18 A 4.3241 8.8905 124.7779 52.3146 18.9904 177.0402 19 A 4.7014 9.2227 123.7068 49.5511 21.5936 176.5282 20 P 4.2425 0.0000 0.0000 65.8910 31.4354 178.9078 21 T 4.1235 7.7919 106.0823 63.4033 69.0919 175.1715 22 D 4.5869 8.2970 122.4439 55.0491 40.8946 177.8425 23 R 3.8853 7.7432 120.6258 59.4461 30.0611 178.0280 24 L 3.9208 7.8285 119.4595 58.1394 42.2701 178.7203 25 K 4.0397 7.9793 119.0544 59.2267 31.9709 178.8470 26 I 3.7080 7.7351 119.7344 64.3015 37.1409 177.2813 27 N 4.4116 8.1362 116.8180 56.9175 38.8865 176.1102 28 D 4.5591 8.1222 120.0809 57.1862 40.8703 179.7875 29 L 4.2166 7.6673 118.8283 55.3589 42.0090 178.7691 *31 I 3.9761 7.7254 118.8092 60.9887 39.2107 177.9439 32 D 4.3790 8.2153 120.2290 57.5962 40.4749 179.0709 33 T 3.9556 8.0236 116.3253 66.3372 68.5152 176.7462 34 A 3.8724 7.2159 122.2177 55.1024 18.3227 179.7152 35 R 3.8510 8.0114 116.5298 59.2045 30.0826 179.1469 36 W 4.0065 8.3647 128.1690 60.2499 30.4646 177.7761 37 L 3.5557 8.0891 119.5966 57.7150 41.9596 178.6532 38 K 3.9928 7.8795 119.3038 59.7037 32.0204 178.7057 39 E 3.9061 8.0012 117.8422 59.2489 29.4178 179.1835 40 S 3.9616 7.5330 113.2229 58.7619 63.0129 175.2703 41 G 3.7730 7.3529 109.7724 46.2460 0.0000 174.0294 42 S 4.5547 7.4531 111.4783 57.6802 63.3206 174.5240 43 T 4.0638 7.6752 118.1265 64.3570 68.8205 173.4594 44 Q 4.7634 9.0762 124.8865 53.3224 31.7896 176.7968 45 W 4.3370 8.6439 117.3016 59.8048 27.8092 178.5351 46 S 3.5842 7.1265 114.7009 61.2264 62.2747 176.1211 47 D 4.2923 8.0747 122.5291 57.1977 40.3043 178.7560 48 I 3.8059 7.6774 119.2173 63.9422 37.2223 177.9074 49 L 4.0477 7.7212 120.5453 58.6102 42.1042 178.4276 50 H 4.2473 8.2017 115.0820 58.1157 29.1908 177.0997 51 G 3.9962 8.2588 108.6277 44.6852 0.0000 172.0541 52 F 4.5929 8.6179 116.3615 55.6924 42.4155 175.6260 53 D 4.7644 8.5996 125.5491 53.7544 39.8129 176.9178 54 V 3.8171 7.4986 113.6615 64.4915 32.3833 178.0452 55 H 4.5230 8.1389 115.5093 57.5712 29.1317 175.4519 56 N 5.1038 8.0329 115.5548 52.2603 39.9691 176.1446 57 I 3.7017 8.1319 121.1352 64.4138 37.7817 177.2101 58 E 3.9634 8.1465 118.8261 59.5698 29.3827 179.0145 59 Q 3.9704 8.0520 119.0278 59.0476 29.1393 178.2204 60 R 3.9531 8.1975 119.3238 59.2469 30.1265 179.1220 61 I 3.7567 7.9813 119.6173 64.4951 36.9244 178.2771 62 E 4.0116 8.2485 118.4532 59.3451 29.4182 178.7837 63 L 4.2808 7.8858 116.1870 54.3734 42.1424 176.8370 64 G 3.6681 7.9638 106.9400 47.1828 0.0000 174.0870 65 E 4.8635 8.4053 116.2360 54.7542 31.4417 175.9743 66 V 4.6829 7.9315 120.3909 61.1217 34.6377 173.8023 67 A 4.3388 8.5854 130.1945 50.3207 20.9299 175.2595 68 L 4.9209 8.3047 123.0192 52.9087 44.7334 175.7451 69 F 4.7793 9.0302 121.3641 55.8118 41.6868 174.1660 70 E 5.8421 9.3786 123.3026 53.4448 33.6671 176.2912 71 T 4.2278 8.2661 112.4241 60.5317 70.2181 175.0600 72 E 3.7437 8.7162 122.5286 59.4962 29.3923 177.7895 73 A 4.0917 7.8051 118.2086 53.0662 18.6882 177.7853 74 G 3.9441 8.1957 104.3824 44.7000 0.0000 173.9724 75 A 4.0235 7.8906 123.1264 51.7797 18.8421 177.4159 76 L 4.2707 8.3479 124.3454 53.8587 41.4327 176.0796 77 A 4.1209 8.8822 131.3221 54.5099 18.9256 177.3965 78 G 4.2037 7.4318 101.5585 44.9801 0.0000 172.0887 79 A 5.6479 7.8341 121.0681 49.6849 22.3789 175.1147 *81 I 4.0991 8.0749 116.9234 61.7633 38.3225 175.1383 82 I 4.9586 8.8471 128.6444 58.6497 39.5240 173.7001 83 R 4.4365 9.0463 127.7462 56.0045 30.7548 177.5170 84 K 4.6676 9.3888 122.7510 57.0484 32.9493 176.8092 85 T 4.8195 7.4889 108.0439 58.6952 71.7262 171.8766 86 P 3.7679 0.0000 0.0000 62.6219 31.7623 176.9306 87 S 4.4515 8.7317 116.6940 57.9492 65.1754 175.0425 88 D 4.3406 8.5850 120.5946 57.1472 40.4016 178.8635 89 W 4.1610 8.1916 128.3388 60.7063 30.8823 177.5666 90 D 4.4408 8.3245 118.8420 57.6902 40.3115 178.9557 91 T 3.7930 8.0252 116.3523 66.7188 68.2423 176.1779 92 D 4.2925 7.4325 118.5839 57.1167 41.3199 177.6760 93 L 3.6730 7.6166 120.1795 57.5795 42.3302 178.3065 94 W 4.1579 8.5301 116.9936 54.8334 29.6372 178.4489 95 E 3.6259 8.4233 118.0638 57.0708 29.1813 176.9352 96 D 4.4037 9.2474 126.2571 58.3139 40.8884 177.0798 97 L 4.2644 8.3154 116.8565 55.2991 42.0036 178.2992 98 A 4.1996 8.0035 122.1572 54.2053 18.3409 178.4988 99 I 4.0537 7.5816 107.7270 61.9757 38.4139 176.2271 100 D 4.5021 7.7308 121.7340 53.8614 41.1597 175.7417 101 K 4.2680 8.5917 123.9895 56.5001 33.0562 175.4547 102 A 4.8648 8.3727 127.5400 51.0319 22.4575 174.3769 103 Y 5.0577 8.3968 117.4602 56.9293 40.4425 174.5416 104 Y 4.7459 8.9894 121.5312 56.3542 40.3106 175.1363 105 L 4.8641 8.8856 126.4892 54.2363 41.3029 176.5983 106 H 4.5108 9.0811 122.8345 58.3217 29.4338 176.8138 107 R 4.5317 7.7646 115.8689 55.1429 32.8295 173.5323 108 I 4.5092 8.0432 124.4717 59.2024 40.8727 174.8225 *110 V 3.8006 8.0296 120.0383 62.3824 32.2232 175.0440 111 S 4.1755 8.6766 122.1271 58.5612 62.9634 175.3932 112 R 3.6790 8.5532 125.1347 59.0750 30.0999 178.8614 113 A 3.8182 7.9907 119.6726 54.3115 18.3633 177.8212 114 F 4.7922 7.7684 113.5011 57.1610 39.5980 175.9283 115 S 4.2332 7.5661 115.0486 59.1086 63.5868 174.1344 116 G 3.9076 8.8055 108.9629 46.1936 0.0000 173.8956 117 I 4.4589 7.3759 110.0176 59.5321 38.0560 175.5497 118 S 3.9071 8.1971 115.0201 59.5319 60.6166 174.3315 119 L 3.8593 7.3651 123.1272 58.1432 42.0750 179.0015 120 S 4.0265 8.0542 111.6772 61.1590 63.2469 175.3168 121 K 3.9931 7.9069 120.8402 59.3879 32.0714 178.4823 122 Q 4.4294 7.7372 117.7520 56.3436 28.5355 178.3684 *124 I 4.2347 7.9410 120.1252 61.7193 39.4023 177.6414 125 Y 4.2180 8.2297 120.6763 60.6676 38.4342 177.7250 126 F 3.9390 8.7735 121.7255 61.3979 39.4344 176.9176 127 A 3.8776 8.1271 119.6394 55.1263 18.2031 179.2128 128 E 3.8328 8.3383 117.0886 59.5999 29.5176 179.7814 129 K 3.7207 7.7075 118.5661 59.1071 31.7778 179.2149 130 L 3.8229 7.5009 119.9994 58.1029 42.2749 178.9044 131 G 3.6835 8.5042 106.0912 47.8026 0.0000 175.6860 132 I 3.6635 7.5356 121.2080 63.9842 37.1596 178.4672 133 E 3.9021 7.7737 115.0281 57.2596 29.5573 177.0320 *135 S 4.1030 7.9047 111.2842 57.8920 64.2747 173.9171 136 V 3.9033 7.7406 121.3941 60.7280 31.9648 173.7968 137 P 4.1094 0.0000 0.0000 64.6900 32.6330 176.0166 138 F 5.2527 7.5276 118.8288 55.6025 43.3477 173.7255 139 I 4.8550 8.5168 123.3324 59.8190 39.3431 174.9743 140 R 5.3592 8.6836 125.3350 54.6514 34.1318 174.5368 141 L 5.0618 9.0135 121.6652 55.6213 44.2711 173.0379 142 D 5.6654 8.6017 117.3980 52.9426 42.5990 173.9554 143 C 5.1654 9.3731 113.2071 56.8302 33.5792 173.4846 144 I 3.6554 8.1106 113.3713 60.6832 38.1082 176.7188 145 E 2.5400 8.5387 123.9868 59.0484 29.3299 179.0249 146 S 4.6141 7.6620 109.7258 58.3875 63.6261 175.0592 147 N 4.5715 7.7868 122.0265 53.1553 36.8128 174.7470 148 E 4.0943 8.2037 124.8708 58.2339 29.8361 178.4081 149 T 3.7579 7.6951 115.2482 66.6865 68.6940 176.0581 150 L 3.5864 7.7027 119.3203 57.1466 41.9313 178.8001 151 N 4.5296 8.1168 116.6697 56.4105 38.4768 178.1038 152 Q 4.2028 7.8972 116.1485 56.7726 28.5073 177.8791 *154 Y 4.6797 7.8071 119.7045 58.1977 40.0490 177.6998 155 V 3.7567 7.6038 118.7459 65.9874 31.7979 178.0295 156 R 4.0074 8.0553 118.8192 59.5289 29.9253 176.5737 157 Y 4.6770 8.0309 112.5289 58.4340 38.0801 175.9295 158 G 4.0479 8.3837 108.6533 45.0579 0.0000 173.9048 159 F 4.5860 8.3948 117.8864 57.2491 40.0954 174.9404 160 Q 4.9618 9.5330 121.0539 53.7304 31.6682 174.9462 161 F 4.1878 9.3100 126.3714 58.9898 39.5661 174.6711 162 S 4.3400 9.5072 120.8096 57.6532 64.5280 174.2919 163 G 3.7873 5.3800 107.4356 43.6127 0.0000 171.3879 164 K 5.1141 7.6048 119.9881 54.5904 35.2506 175.1440 165 K 4.4864 9.2732 125.1871 56.6380 35.3392 174.9740 166 N 4.4887 10.0139 120.8828 54.5015 36.3469 175.3401 167 G 4.1378 8.6742 104.3499 46.2536 0.0000 173.2359 168 F 5.2613 8.4435 118.4999 55.7293 42.2443 174.1732 169 Y 5.3644 9.1504 120.2773 57.0648 40.0941 174.4781 170 L 4.8383 8.3045 123.5874 53.3087 44.0220 175.2128 171 Y 5.5099 9.2016 120.4753 56.4050 42.2216 174.4786 172 Q 5.4413 9.5218 119.8630 54.6714 33.1963 173.4277 173 K 4.6747 9.1116 121.9744 54.4775 34.7777 174.4714 174 E 4.4469 8.9050 129.0879 55.7631 30.4656 176.1303 175 L 4.2403 8.4648 126.4935 54.8200 41.4772 176.5135 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 4 N 8.28 4.94 0.00 2.76 2.90 0.00 0.00 6.76 6.80 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 5 K 8.42 5.15 0.00 1.71 1.69 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.51 7.81 6 I 9.84 5.01 2.07 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 1.53 1.25 1.25 0.00 0.00 7 T 8.60 5.38 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 1.28 0.00 0.00 8 A 9.27 4.59 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 9 G 9.90 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 0.00 0.00 0.00 10 G 8.57 3.91 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 0.00 0.00 0.00 11 L 7.75 4.44 0.00 1.69 1.69 0.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.32 4.64 0.00 1.94 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 0.00 2.24 2.34 0.00 13 F 9.58 4.96 0.00 3.09 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 14 L 9.25 4.82 0.00 1.48 1.50 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.35 4.27 1.45 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 -1.32 0.00 0.00 0.55 0.00 0.00 16 R 7.83 4.56 0.00 1.80 1.81 0.00 2.76 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.48 0.00 17 F 8.62 4.50 0.00 2.99 3.05 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 0.00 0.00 0.00 18 A 8.89 4.32 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 19 A 9.22 4.70 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 20 P 0.00 4.24 0.00 2.19 2.13 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 21 T 7.79 4.12 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 22 D 8.30 4.59 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 23 R 7.74 3.89 0.00 1.97 1.94 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 24 L 7.83 3.92 0.00 1.80 1.65 0.92 0.38 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 25 K 7.98 4.04 0.00 1.87 1.79 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.53 7.81 26 I 7.74 3.71 1.89 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 1.42 0.76 0.95 0.00 0.00 27 N 8.14 4.41 0.00 2.80 3.04 0.00 0.00 7.31 8.92 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 28 D 8.12 4.56 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.67 4.22 0.00 1.79 1.80 0.91 1.06 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 *31 I 7.73 3.98 1.98 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 1.38 0.80 0.88 0.00 0.00 32 D 8.22 4.38 0.00 2.63 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 33 T 8.02 3.96 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 1.38 0.00 0.00 34 A 7.22 3.87 1.08 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 0.00 0.00 35 R 8.01 3.85 0.00 2.05 2.01 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 36 W 8.36 4.01 0.00 3.45 3.40 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 37 L 8.09 3.56 0.00 2.04 1.94 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.88 3.99 0.00 1.92 1.91 0.00 1.54 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.47 7.81 39 E 8.00 3.91 0.00 2.22 1.88 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 2.35 2.19 0.00 40 S 7.53 3.96 0.00 3.24 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 41 G 7.35 3.77 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 0.00 42 S 7.45 4.55 0.00 3.97 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 43 T 7.68 4.06 4.23 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 1.24 0.00 0.00 44 Q 9.08 4.76 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 45 W 8.64 4.34 0.00 3.51 3.28 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 46 S 7.13 3.58 0.00 4.05 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 47 D 8.07 4.29 0.00 2.88 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 48 I 7.68 3.81 2.14 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 1.58 0.53 0.97 0.00 0.00 49 L 7.72 4.05 0.00 1.76 1.61 0.88 0.22 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 50 H 8.20 4.25 0.00 3.08 3.11 0.00 5.83 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 4.59 0.00 3.05 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 53 D 8.60 4.76 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 54 V 7.50 3.82 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 I 8.07 4.10 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.92 0.00 0.00 82 I 8.85 4.96 1.94 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.42 1.05 0.00 0.00 83 R 9.05 4.44 0.00 1.90 2.06 0.00 3.38 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 84 K 9.39 4.67 0.00 1.77 1.96 0.00 1.66 0.00 0.00 1.53 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.49 7.81 85 T 7.49 4.82 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 1.24 0.00 0.00 86 P 0.00 3.77 0.00 1.89 1.27 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 87 S 8.73 4.45 0.00 4.14 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 0.00 88 D 8.58 4.34 0.00 2.80 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 89 W 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.84 0.00 0.00 133 E 7.77 3.90 0.00 2.30 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 2.32 2.23 0.00 *135 S 7.90 4.10 0.00 3.86 3.83 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 0.00 136 V 7.74 3.90 1.39 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 0.05 0.00 0.00 0.49 0.00 0.00 137 P 0.00 4.11 0.00 1.10 1.90 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.85 0.00 138 F 7.53 5.25 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.52 4.85 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.11 1.15 0.00 0.00 140 R 8.68 5.36 0.00 0.71 1.10 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.97 0.00 141 L 9.01 5.06 0.00 1.64 1.89 -0.49 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.60 5.67 0.00 3.00 2.81 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 0.00 143 C 9.37 5.17 0.00 3.08 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 0.00 144 I 8.11 3.66 1.57 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.56 -0.42 0.00 0.00 145 E 8.54 2.54 0.00 1.81 1.61 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 1.59 2.11 0.00 146 S 7.66 4.61 0.00 3.95 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 0.00 147 N 7.79 4.57 0.00 2.69 2.77 0.00 0.00 7.21 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 0.00 148 E 8.20 4.09 0.00 2.01 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 2.54 2.34 0.00 149 T 7.70 3.76 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 1.13 0.00 0.00 150 L 7.70 3.59 0.00 1.33 0.72 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.12 4.53 0.00 2.86 3.04 0.00 0.00 6.96 6.82 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 0.00 152 Q 7.90 4.20 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 *154 Y 7.81 4.68 0.00 2.27 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 0.00 0.00 0.00 155 V 7.60 3.76 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 1.02 0.00 0.00 1.15 0.00 0.00 156 R 8.06 4.01 0.00 1.90 1.97 0.00 3.50 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.72 0.00 157 Y 8.03 4.68 0.00 3.41 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 0.00 158 G 8.38 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.39 4.59 0.00 3.16 3.27 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 0.00 160 Q 9.53 4.96 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 161 F 9.31 4.19 0.00 2.95 2.96 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 0.00 162 S 9.51 4.34 0.00 3.38 3.73 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 0.00 163 G 5.38 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 0.00 164 K 7.60 5.11 0.00 1.98 1.78 0.00 2.23 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.89 7.81 165 K 9.27 4.49 0.00 1.68 1.44 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.36 7.81 166 N 10.01 4.49 0.00 3.13 3.43 0.00 0.00 7.11 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 0.00 167 G 8.67 4.14 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 0.00 168 F 8.44 5.26 0.00 3.26 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 0.00 169 Y 9.15 5.36 0.00 3.05 2.79 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 0.00 170 L 8.30 4.84 0.00 0.64 0.13 -0.05 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 9.20 5.51 0.00 2.66 2.87 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 0.00 172 Q 9.52 5.44 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 173 K 9.11 4.67 0.00 0.79 1.25 0.00 1.11 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.11 1.07 7.81 174 E 8.90 4.45 0.00 2.12 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 2.04 1.82 0.00 175 L 8.46 4.24 0.00 1.29 1.41 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.