NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.8654 8.5698 120.2468 59.7655 32.3870 173.1168 3 S 4.6104 8.6739 121.2581 56.7506 63.5819 171.6268 4 H 4.5275 8.1838 118.9983 56.1422 33.6073 173.1539 5 Y 5.2733 8.1576 122.6691 55.8614 41.5578 173.7980 6 Q 4.6487 9.2660 121.9765 54.3752 30.3906 174.7056 7 A 4.5164 8.5248 129.7586 51.8074 19.3546 176.5027 8 L 4.3614 8.1443 124.4817 54.8620 41.9434 176.6594 9 K 4.3799 8.6694 125.0762 56.6589 34.3475 176.0407 10 D 4.3560 8.0965 118.3491 54.1741 41.3794 175.2188 11 Q 4.1814 8.9894 128.3481 59.4484 29.4549 177.5112 12 E 4.1358 8.3322 116.8866 59.4939 29.9334 179.6526 13 R 4.3723 8.9670 117.2895 56.9340 29.7472 178.3341 *15 R 4.5207 8.0737 115.9716 55.8908 32.0527 178.1098 16 K 3.8288 8.2318 115.6846 59.6214 32.0702 178.0324 17 Y 4.1623 7.8036 114.4957 59.3681 38.1028 176.3383 18 F 4.7681 8.1155 114.2736 56.0225 40.6470 174.5007 19 A 3.8746 8.2114 122.3488 52.6294 16.2242 176.5053 20 A 5.0141 7.6701 119.1850 52.0824 23.4732 175.7586 21 H 5.0513 8.3400 113.4626 52.8935 32.1904 171.5815 22 P 4.2553 0.0000 0.0000 63.3648 31.4980 175.0309 23 S 4.2500 8.8736 115.0917 57.8892 64.3305 174.9566 24 A 4.6263 7.4392 124.9285 49.2486 21.4381 176.4823 25 E 4.2610 8.4229 119.0556 56.3975 30.1823 177.3282 26 V 4.6142 7.8984 114.7409 58.4827 35.4411 173.8784 27 P 4.2763 0.0000 0.0000 62.6041 31.8007 176.7125 28 A 3.9878 8.7967 125.9941 54.6233 18.5796 176.9844 29 D 4.7986 7.5830 113.3412 52.4677 42.9043 175.0110 *31 W 4.8799 7.9689 120.6620 55.5391 30.2023 173.4944 32 P 3.8320 0.0000 0.0000 64.3234 31.0620 177.5260 33 R 4.2632 9.0865 119.4850 56.7170 30.5898 176.1916 34 Y 4.2492 8.1463 118.5715 58.5420 36.2169 178.3864 *36 G 4.9729 9.0743 121.4529 47.1040 0.0000 170.5798 37 A 5.4915 8.6746 120.3583 50.0903 21.7129 176.1887 38 F 4.7405 8.3911 114.8954 55.1895 41.9915 173.3136 39 I 4.4388 8.6371 121.3998 59.7196 39.5101 175.0479 40 R 5.1354 8.0416 124.0035 53.4918 33.8411 175.4463 41 R 4.0203 8.5321 116.5587 55.6084 29.7507 174.9074 42 P 4.2315 0.0000 0.0000 63.1855 32.0548 171.7670 43 L 3.3139 8.1555 128.3870 54.6745 43.4711 175.1879 *52 V 3.8904 8.0348 124.6355 62.1400 31.7782 174.2687 53 P 4.4887 0.0000 0.0000 61.9148 29.3789 174.9481 54 E 4.7547 8.0362 114.7922 54.4177 31.1209 174.8790 55 R 3.9656 7.8181 123.3294 55.8017 31.9509 174.5544 56 E 4.6191 8.2156 121.0505 54.1025 32.5259 174.8603 57 A 3.9193 8.7694 129.5348 51.9352 19.1851 176.9016 58 A 4.1946 7.9719 123.6740 51.1487 21.1048 176.1415 59 T 5.0257 8.0229 115.5476 62.3452 70.5066 174.4059 60 G 4.5986 9.1136 111.1898 45.3881 0.0000 172.6309 61 R 4.5787 9.2665 122.0810 55.7628 31.5153 175.3528 62 W 3.8228 9.2964 135.0000 60.1660 31.2409 175.1349 63 G 3.9484 8.1862 113.9165 43.9139 0.0000 171.5245 *65 I 3.6828 7.7839 119.7651 59.9655 38.1869 174.3397 66 P 4.2610 0.0000 0.0000 62.2454 31.6149 175.6202 67 P 4.8719 0.0000 0.0000 64.9438 31.2142 177.1879 68 G 3.9340 7.9476 105.3740 45.3777 0.0000 173.7668 69 T 3.8287 7.7274 117.6458 63.8108 69.0596 174.3033 70 R 4.4278 8.2575 124.8569 54.0393 31.5466 175.4535 71 P 4.3406 0.0000 0.0000 66.0385 30.9640 177.6064 72 E 4.3117 8.0609 113.6508 56.9584 29.9598 176.8071 73 K 4.5241 8.3112 118.4796 55.8041 34.1973 177.9341 74 L 3.8927 7.8066 119.0284 57.7512 41.2807 178.9558 75 A 3.9571 7.9099 118.7815 55.2277 18.2939 178.8547 76 E 3.9592 8.0758 116.9158 59.4293 29.6393 178.7256 77 A 3.9372 8.1781 120.9929 55.2438 18.1589 179.8080 78 S 3.9862 8.2469 113.3242 61.3526 62.9268 176.4599 79 K 4.1472 7.5285 119.4099 57.0943 32.2718 177.7454 80 K 4.0661 6.8974 118.4185 56.2816 32.4612 177.0831 81 N 4.6563 8.4319 119.8133 52.6124 37.2363 174.6507 82 T 4.8612 7.9898 113.3889 61.1774 69.5506 176.2990 83 S 4.0541 8.0271 117.3034 60.3804 63.5136 173.4852 84 N 5.2723 7.8911 117.1262 51.2828 42.2202 173.6035 85 A 4.2460 8.1259 122.5711 49.6935 22.5338 175.3960 86 R 4.3165 8.3598 122.0626 55.7723 30.7174 178.1708 87 S 4.2306 9.0287 121.4935 61.6011 63.2043 176.7493 88 E 4.0308 8.2418 119.0094 58.7734 29.4823 177.5703 89 T 4.3828 7.7203 105.3726 60.8144 69.5400 175.5556 90 A 4.1271 7.3224 125.0747 55.4347 18.4644 179.0727 91 H 3.9855 7.3198 110.1874 57.4538 29.0856 176.2163 92 Q 4.0506 7.1732 117.7209 57.0847 29.9783 176.4124 93 L 3.8798 7.5658 117.9349 54.1358 42.1968 178.1364 94 W 4.6509 8.5208 122.5548 60.4791 29.2393 177.8871 95 T 3.8282 7.7760 113.7560 65.5404 68.0181 175.5632 96 F 5.0306 7.5694 117.9729 57.2290 40.6422 177.4728 97 R 4.0774 8.2773 117.0649 59.6453 28.9427 178.1842 98 N 4.2935 8.3023 117.1116 56.1843 38.9770 176.4064 99 A 3.8110 8.0379 121.6411 54.7879 18.5138 179.3024 100 W 3.9027 8.6900 126.8311 60.6256 30.6669 178.0517 101 A 4.2256 8.4891 119.8258 54.9144 17.9142 178.8113 102 K 4.1372 7.9871 113.4634 55.0674 33.0499 176.5514 103 A 3.3062 7.4698 121.3285 53.2113 16.6090 179.7226 104 Q 4.1757 7.7544 121.2649 55.8277 28.0063 175.8595 105 H 5.2472 8.0549 119.4614 54.7093 30.8161 173.6380 106 C 5.2476 9.3419 115.5358 57.3221 34.1808 172.4763 107 I 5.0268 8.8264 119.4069 59.6017 40.3750 174.9783 108 I 4.3588 8.5607 129.0557 59.0952 38.3495 173.2340 109 P 4.5925 0.0000 0.0000 62.1522 32.6107 175.1777 110 A 4.8603 8.8031 124.9415 50.4572 22.3222 176.4998 111 D 4.3260 9.2215 120.8237 56.5930 41.7400 176.3097 112 A 4.5600 7.3053 117.8670 51.2384 22.3770 174.9797 113 I 4.8790 7.8994 111.7742 59.2758 41.3185 173.9798 114 Y 5.4994 8.8556 120.3304 56.5031 40.7112 175.2057 115 E 5.0633 9.4349 121.7003 53.9887 34.5241 173.0611 116 P 4.8455 0.0000 0.0000 62.7238 33.4048 174.2421 117 D 5.3094 9.0917 122.7850 52.5235 43.2267 176.2532 118 W 5.2730 8.7589 123.6528 55.7987 29.7928 177.9913 119 R 3.9790 8.4554 119.5274 58.7333 29.4839 177.7139 120 S 4.3429 8.0619 110.3922 58.5367 63.6247 174.9284 121 G 4.0789 9.7340 110.1561 45.1188 0.0000 172.6949 122 K 4.6427 7.5908 118.3374 54.3996 36.5280 175.0852 123 A 2.9065 7.6249 125.6264 51.2113 18.7009 177.2553 124 V 4.1458 8.0842 123.5553 60.9224 33.6538 173.4779 125 P 4.7619 0.0000 0.0000 63.2221 32.8051 175.5596 126 T 5.0531 8.8525 119.3630 61.7955 72.2817 172.7615 127 R 4.5753 9.0661 127.1992 54.8553 32.3034 174.7524 128 F 5.3990 9.0420 125.2480 55.9110 42.0744 174.5874 129 T 5.0552 8.7443 112.4914 59.7958 73.1059 172.9625 130 R 4.7135 8.4052 120.5086 55.5436 30.8589 178.0468 131 A 3.9897 9.0923 127.4744 55.1246 18.5231 178.1418 132 D 4.5105 8.0998 112.7112 53.5429 39.8529 177.4276 133 G 3.8478 8.1893 108.2235 45.6050 0.0000 173.8710 134 A 3.8452 8.0556 122.6995 50.3249 19.4345 175.6562 135 P 4.4830 0.0000 0.0000 62.6419 32.6122 175.7665 136 L 4.2891 9.2738 121.4565 54.0912 43.6090 176.4857 137 G 4.2920 8.5999 109.8348 44.5290 0.0000 171.3672 138 I 4.5644 8.2585 128.3405 59.8861 38.6068 175.5296 139 A 4.0222 8.6439 130.2755 51.9647 19.0346 176.8546 140 G 4.3256 9.2536 108.3989 45.4798 0.0000 171.2135 141 L 5.7706 9.0043 118.5351 52.6268 45.5340 176.2162 142 W 5.5854 8.4364 117.6485 55.4643 31.6514 173.4802 143 D 4.5800 9.0234 119.2470 54.7882 44.8519 173.6797 144 R 5.7260 8.7043 117.3181 54.8348 34.3372 174.4294 145 Y 5.3281 9.3327 118.6709 55.9556 42.1546 173.6764 146 R 4.6207 8.2817 119.1500 54.5127 31.9967 176.6682 147 N 4.7147 8.5540 121.2459 51.5608 39.0237 175.5215 148 A 3.8503 8.5560 119.8962 54.9603 18.2843 178.1773 149 A 4.2324 7.9262 116.2482 52.1703 19.2053 178.0247 150 G 3.7505 8.1209 104.6130 44.9544 0.0000 173.4937 151 E 4.2847 7.5456 119.6658 55.2332 30.9552 175.9987 152 W 4.6210 8.7197 124.2541 56.7475 30.1988 175.7156 153 I 4.6681 9.0538 124.9896 59.5351 40.5230 174.7960 154 D 5.5797 8.8809 125.6765 54.4064 42.6571 175.3724 155 S 5.6017 9.5209 115.1503 57.5884 67.2636 172.2226 156 Y 5.4313 8.9228 118.3896 55.7660 41.7702 173.4601 157 T 4.7217 9.0533 117.9636 61.3838 72.0249 173.6385 *159 L 4.7272 8.5969 118.4762 54.5540 43.2628 175.6084 160 T 4.7779 8.7914 113.5659 59.8585 71.8105 172.8118 161 I 4.9375 7.8109 114.6192 58.7235 41.8403 173.8960 162 N 4.5739 8.7701 120.6812 53.8181 39.6063 174.1247 163 A 4.8262 8.9762 126.1374 51.9161 19.9442 177.8101 164 D 4.5108 8.9297 120.4068 57.7861 40.8751 177.2635 165 D 4.8974 7.9471 115.9275 53.6801 42.0336 175.0206 166 D 4.6024 8.0460 121.0033 53.0677 41.6782 175.1516 167 P 4.2552 0.0000 0.0000 65.6452 31.8733 177.5975 168 L 4.3239 8.0598 118.3288 57.5552 42.5634 178.2921 169 F 4.7914 8.5107 116.8872 59.3157 38.7634 177.4601 170 R 4.3551 8.1317 115.3525 58.2275 29.3826 177.3352 171 D 4.6627 7.7162 116.9059 53.8542 41.4293 175.4001 172 Y 4.5730 7.5321 117.2555 57.4636 40.3543 175.5101 173 H 4.8474 9.4181 115.3351 55.7503 28.5830 175.4874 174 Q 3.6632 8.4970 119.1019 56.0992 29.0336 176.7084 175 A 4.2205 8.0266 123.5728 52.9779 19.4362 178.0062 176 G 4.0836 9.4332 108.4850 45.1028 0.0000 173.7213 177 K 4.6292 7.3167 117.1854 53.8042 36.0957 175.5431 178 E 4.0622 8.7145 122.5685 56.8636 30.3203 176.2268 179 K 4.4383 9.1088 125.8708 56.0481 33.8079 176.2871 180 R 5.0498 8.0227 122.9253 53.4521 33.7993 174.8206 *182 V 3.7465 8.1837 111.8814 61.8615 32.7443 175.0968 183 V 4.0641 7.5318 119.8106 61.6752 32.5103 174.6182 184 I 4.4514 8.1008 129.6524 60.1683 37.8826 175.6765 185 L 4.6310 8.6603 128.5001 53.0496 42.8093 175.3969 186 P 4.6424 0.0000 0.0000 62.3444 32.7363 176.8434 187 D 3.3700 8.6464 120.2311 57.2135 40.4324 179.2225 188 G 3.7491 7.8724 102.9808 46.1065 0.0000 174.0783 189 A 4.8372 7.9209 122.1621 52.1728 20.0066 177.8169 190 Y 4.6608 7.9044 116.0483 61.5485 37.8627 179.1088 191 G 3.7521 8.2960 105.5589 48.1097 0.0000 175.2023 192 D 4.4058 8.2741 120.9344 56.7304 40.7257 178.4483 193 W 3.1841 8.3336 128.3921 60.1788 30.8197 177.7932 194 L 3.9356 7.7865 116.6430 56.3482 41.1201 177.6189 195 T 4.3636 6.8203 106.1395 60.5793 69.7086 174.1432 196 A 4.0577 7.3354 125.8643 51.5606 18.9940 176.0655 197 P 4.3638 0.0000 0.0000 61.7699 32.5193 177.0984 198 A 3.8016 8.7285 122.3184 54.8329 17.7964 180.0338 199 T 4.0150 7.9357 106.6057 63.9866 69.2002 175.3199 200 D 5.2177 7.9770 121.7618 53.4331 41.2912 177.8907 201 T 4.0093 7.5477 118.2747 67.1957 68.5128 176.4541 202 R 4.1861 8.3358 118.7900 59.2979 29.9514 178.6234 203 D 4.4298 8.2594 118.5728 56.7797 40.5024 177.9323 204 F 4.5322 8.4221 116.4394 57.6448 40.8329 176.7091 205 L 4.3333 7.4819 120.2075 53.3338 39.8703 175.6970 206 L 4.8680 7.2439 119.2489 51.7014 45.3434 175.0458 207 P 4.4242 0.0000 0.0000 62.5541 31.8648 176.0276 208 Y 4.2966 8.5039 124.2045 56.2084 39.7505 173.1795 209 P 4.0635 0.0000 0.0000 62.8606 31.9740 177.0935 210 A 4.0616 8.7888 126.8379 55.2131 18.4678 178.3425 211 D 4.5658 8.0105 112.4756 54.9193 39.7564 176.6546 212 R 4.5521 7.9611 118.8755 56.1958 31.3291 175.5350 213 L 5.3600 7.9102 118.9807 52.8224 45.0778 175.9597 214 V 4.4369 9.0579 121.1585 61.0688 34.1921 174.0115 215 A 4.6776 8.5284 128.8370 50.0199 21.4139 175.6033 216 A 4.5493 8.1856 122.5054 50.1203 22.8721 175.7005 217 A 4.5354 8.6560 124.7250 52.2576 19.2553 176.8870 218 V 4.5906 8.5097 113.2933 59.7065 36.4600 175.1481 219 K 4.4995 8.5188 121.0292 54.7161 33.6428 176.7544 220 L 4.2195 8.5181 122.9512 55.0162 41.6755 176.7848 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 C 8.57 4.87 0.00 3.17 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 3 S 8.67 4.61 0.00 4.11 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 4 H 8.18 4.53 0.00 2.26 2.93 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.16 5.27 0.00 3.01 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 9.27 4.65 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 7 A 8.52 4.52 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 8 L 8.14 4.36 0.00 1.60 1.52 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.67 4.38 0.00 1.76 1.82 0.00 2.00 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.53 7.81 10 D 8.10 4.36 0.00 2.67 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 11 Q 8.99 4.18 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 12 E 8.33 4.14 0.00 2.22 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 2.42 2.26 0.00 13 R 8.97 4.37 0.00 1.99 2.16 0.00 3.20 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 1.80 1.88 0.00 *15 R 8.07 4.52 0.00 2.13 2.02 0.00 3.49 0.00 0.00 3.32 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 16 K 8.23 3.83 0.00 1.54 1.44 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.56 7.81 17 Y 7.80 4.16 0.00 2.93 2.45 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 0.00 18 F 8.12 4.77 0.00 2.97 2.99 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 0.00 0.00 0.00 19 A 8.21 3.87 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 20 A 7.67 5.01 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 21 H 8.34 5.05 0.00 3.17 3.38 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.26 0.00 1.96 2.01 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 23 S 8.87 4.25 0.00 3.92 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 24 A 7.44 4.63 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 25 E 8.42 4.26 0.00 2.00 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 2.29 0.00 26 V 7.90 4.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 27 P 0.00 4.28 0.00 1.92 1.93 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 28 A 8.80 3.99 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 29 D 7.58 4.80 0.00 2.65 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 *31 W 7.97 4.88 0.00 3.54 3.32 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 32 P 0.00 3.83 0.00 1.93 1.53 0.00 4.03 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.15 0.00 33 R 9.09 4.26 0.00 1.93 2.10 0.00 3.11 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 34 Y 8.15 4.25 0.00 3.49 2.46 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 *36 G 9.07 4.97 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 0.00 0.00 0.00 37 A 8.67 5.49 1.10 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0.00 0.00 121 G 9.73 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 0.00 0.00 0.00 122 K 7.59 4.64 0.00 1.87 1.52 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.14 1.31 7.81 123 A 7.62 2.91 0.45 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 0.00 0.00 0.00 124 V 8.08 4.15 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 1.03 0.00 0.00 0.85 0.00 0.00 125 P 0.00 4.76 0.00 2.18 2.04 0.00 3.59 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 126 T 8.85 5.05 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 127 R 9.07 4.58 0.00 1.80 1.63 0.00 3.05 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 0.00 128 F 9.04 5.40 0.00 2.96 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 0.00 129 T 8.74 5.06 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 1.15 0.00 0.00 130 R 8.41 4.71 0.00 1.97 2.10 0.00 2.96 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.60 0.00 131 A 9.09 3.99 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 0.00 132 D 8.10 4.51 0.00 2.81 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 0.00 133 G 8.19 3.85 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 0.00 0.00 0.00 134 A 8.06 3.85 1.05 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 0.00 135 P 0.00 4.48 0.00 2.25 2.03 0.00 2.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 136 L 9.27 4.29 0.00 1.55 1.47 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.60 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.56 1.60 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.60 0.79 0.00 0.00 139 A 8.64 4.02 0.34 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 0.00 140 G 9.25 4.33 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 0.00 141 L 9.00 5.77 0.00 1.75 1.62 1.22 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 142 W 8.44 5.59 0.00 3.19 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 0.00 143 D 9.02 4.58 0.00 2.71 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 0.00 144 R 8.70 5.73 0.00 1.92 2.19 0.00 2.94 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 145 Y 9.33 5.33 0.00 2.97 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 0.00 146 R 8.28 4.62 0.00 1.32 1.46 0.00 2.65 0.00 0.00 2.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 147 N 8.55 4.71 0.00 2.90 2.92 0.00 0.00 6.58 7.25 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 0.00 148 A 8.56 3.85 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.93 4.23 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 0.00 150 G 8.12 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 7.55 4.28 0.00 2.04 1.86 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 2.36 2.29 0.00 152 W 8.72 4.62 0.00 3.19 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 0.00 153 I 9.05 4.67 0.56 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.75 0.94 0.00 0.00 154 D 8.88 5.58 0.00 3.11 2.99 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 0.00 0.00 0.00 155 S 9.52 5.60 0.00 4.21 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 0.00 156 Y 8.92 5.43 0.00 3.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 9.05 4.72 4.54 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 1.32 0.00 0.00 *159 L 8.60 4.73 0.00 1.65 1.67 1.15 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 160 T 8.79 4.78 4.18 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 1.16 0.00 0.00 161 I 7.81 4.94 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.92 0.00 0.00 162 N 8.77 4.57 0.00 2.71 2.76 0.00 0.00 6.69 7.96 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 0.00 163 A 8.98 4.83 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.51 0.00 2.79 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 0.00 165 D 7.95 4.90 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 166 D 8.05 4.60 0.00 2.92 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 0.00 167 P 0.00 4.26 0.00 2.09 2.14 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 168 L 8.06 4.32 0.00 1.66 1.56 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 169 F 8.51 4.79 0.00 3.20 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 0.00 170 R 8.13 4.36 0.00 2.16 2.37 0.00 3.20 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 171 D 7.72 4.66 0.00 2.52 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.53 4.57 0.00 3.19 3.18 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 0.00 173 H 9.42 4.85 0.00 3.46 3.53 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 8.50 3.66 0.00 1.82 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.00 175 A 8.03 4.22 1.21 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 0.00 0.00 176 G 9.43 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 0.00 0.00 0.00 177 K 7.32 4.63 0.00 1.67 1.64 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.34 7.81 178 E 8.71 4.06 0.00 1.97 1.85 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 2.29 2.53 0.00 179 K 9.11 4.44 0.00 1.96 1.81 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.54 7.81 180 R 8.02 5.05 0.00 1.56 1.78 0.00 3.43 0.00 0.00 3.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.36 0.00 *182 V 8.18 3.75 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 0.59 0.00 0.00 0.68 0.00 0.00 183 V 7.53 4.06 1.87 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 0.88 0.00 0.00 0.85 0.00 0.00 184 I 8.10 4.45 1.46 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 1.11 0.50 0.17 0.00 0.00 185 L 8.66 4.63 0.00 1.81 1.77 0.42 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.64 0.00 2.24 2.30 0.00 3.83 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 2.13 2.05 0.00 187 D 8.65 3.37 0.00 2.54 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 0.00 188 G 7.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.92 4.84 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 0.00 0.00 0.00 0.00 0.00 190 Y 7.90 4.66 0.00 3.12 3.06 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 0.00 191 G 8.30 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 D 8.27 4.41 0.00 3.12 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 0.00 193 W 8.33 3.18 0.00 2.98 3.31 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 0.00 194 L 7.79 3.94 0.00 1.83 1.67 1.00 0.77 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 0.00 195 T 6.82 4.36 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 1.18 0.00 0.00 196 A 7.34 4.06 1.18 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 0.00 0.00 197 P 0.00 4.36 0.00 2.20 2.15 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.96 0.00 198 A 8.73 3.80 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 0.00 199 T 7.94 4.01 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 200 D 7.98 5.22 0.00 2.85 2.95 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 0.00 201 T 7.55 4.01 3.89 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 0.00 0.00 0.65 0.00 0.00 202 R 8.34 4.19 0.00 2.01 2.14 0.00 3.28 0.00 0.00 3.45 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 203 D 8.26 4.43 0.00 2.70 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 0.00 204 F 8.42 4.53 0.00 3.17 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 0.00 205 L 7.48 4.33 0.00 1.73 1.68 1.19 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.24 4.87 0.00 1.61 1.55 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 207 P 0.00 4.42 0.00 2.08 2.18 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 208 Y 8.50 4.30 0.00 2.99 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 0.00 209 P 0.00 4.06 0.00 1.81 1.88 0.00 2.28 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 210 A 8.79 4.06 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 0.00 211 D 8.01 4.57 0.00 2.77 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 0.00 212 R 7.96 4.55 0.00 1.81 2.01 0.00 2.85 0.00 0.00 3.10 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.25 0.00 213 L 7.91 5.36 0.00 1.70 1.68 1.20 0.95 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 0.00 214 V 9.06 4.44 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 0.90 0.00 0.00 0.92 0.00 0.00 215 A 8.53 4.68 0.78 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 0.00 216 A 8.19 4.55 1.11 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 0.00 0.00 217 A 8.66 4.54 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 0.00 218 V 8.51 4.59 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 0.79 0.00 0.00 1.17 0.00 0.00 219 K 8.52 4.50 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.37 7.81 220 L 8.52 4.22 0.00 1.64 1.60 0.90 1.01 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 * Residues marked with a * may have inaccurate shift predictions.