NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3876 8.3349 115.2900 57.8580 64.3912 173.8995 4 I 3.7084 7.6430 121.6160 60.1394 37.4132 174.0657 5 A 4.1777 9.2336 130.1326 51.7795 19.9041 176.7805 6 K 4.4236 8.3824 121.9426 56.3833 33.0210 177.0853 7 R 4.3007 9.1713 124.1224 55.0344 30.8192 175.0170 8 P 4.4392 0.0000 0.0000 62.7016 32.2233 176.4432 9 R 4.1065 8.4570 121.8006 56.5651 30.7049 175.9385 10 T 4.5404 8.0001 114.9901 61.0459 70.4361 172.1790 11 R 4.5192 8.2936 124.6452 54.8488 31.2617 175.4033 12 L 4.9003 8.0793 123.6814 51.9679 45.7619 177.0690 13 S 4.4050 8.3441 115.9127 57.5052 65.0815 173.3782 14 P 4.7693 0.0000 0.0000 65.1385 31.1125 178.3035 15 L 3.9518 8.0341 118.2161 58.5444 41.8695 179.2291 16 K 4.0281 7.9382 117.5876 59.0609 31.8359 179.5780 17 R 3.6912 8.5536 119.5200 59.1952 29.8295 178.2802 18 K 3.3594 7.5012 118.0267 59.4677 32.1803 178.0114 19 Q 4.0680 7.6745 118.3834 59.1380 29.2909 177.6429 20 Q 4.1487 8.2357 120.7939 59.1170 29.1455 179.7845 21 L 4.1901 7.9055 119.5254 54.8944 41.7342 179.1382 *23 E 4.3188 8.1906 119.9554 56.6788 31.8078 178.6105 24 I 3.6573 7.8937 119.1192 64.1977 37.1092 178.1363 25 A 3.7054 7.8004 121.5801 55.2097 18.0249 179.5592 26 L 3.9550 7.7545 116.7453 58.0122 41.6689 179.2934 27 E 3.6784 8.1826 119.1410 59.0408 29.5150 178.9944 28 V 3.5882 8.2876 118.5474 66.2633 31.7046 178.0860 29 F 4.4964 8.8367 117.6762 60.5646 38.4642 177.6171 30 A 4.1142 8.2552 120.0724 55.0086 18.2534 179.2652 31 R 4.0698 8.1600 116.4215 58.6529 30.4245 177.9007 32 R 4.4604 8.2373 115.6169 54.4007 31.9166 176.6209 33 G 3.9529 7.4746 106.1568 44.0876 0.0000 173.3283 34 I 2.7369 7.7447 121.1191 61.9856 37.2451 176.3584 35 G 3.4982 5.5976 111.5632 46.2185 0.0000 174.3724 36 R 4.0136 7.2778 119.7831 57.0923 30.5996 177.3091 37 G 4.2717 7.7672 105.7012 44.2575 0.0000 173.2560 38 G 4.1027 7.9292 106.9261 43.8602 0.0000 172.3344 39 H 3.8657 9.1405 114.7622 59.0118 28.5527 177.3275 40 A 4.0333 7.9965 121.8581 55.3548 18.1477 179.3204 41 D 4.3285 8.0153 116.8837 57.4450 40.9542 178.9267 42 I 3.6654 7.7250 120.0518 64.2444 37.1018 178.2213 43 A 4.0105 8.2613 121.9643 55.2322 17.7904 179.2836 44 E 3.8893 8.2349 117.7031 59.5784 29.6376 179.1556 45 I 3.6261 7.8019 119.5203 64.1015 37.0390 178.1046 46 A 3.6571 8.3801 120.8424 52.5229 18.7206 177.0945 47 Q 3.4558 7.5885 114.8643 57.6481 26.6264 173.1675 48 V 4.5591 7.5301 109.0632 58.7626 35.4346 176.6691 49 S 4.4616 8.2568 115.6038 58.0960 65.0953 175.1624 50 V 3.6683 8.5065 122.1998 66.2541 31.3363 178.0093 51 A 4.2000 8.2224 119.9448 55.7011 17.7281 179.4644 52 T 3.9292 7.9773 113.9674 66.9125 68.6091 176.8072 53 V 3.6585 7.7226 119.9763 66.3951 31.3933 178.1280 54 F 4.5980 8.4904 118.5478 59.9324 38.4304 177.1954 55 N 4.2662 8.0539 115.4733 56.7657 38.7617 176.4833 56 Y 4.0730 7.6810 117.1608 58.8664 39.0094 174.7682 57 F 4.8423 7.9776 118.2448 54.2664 39.6453 173.2018 58 P 4.9478 0.0000 0.0000 64.2173 31.7388 176.6751 59 T 5.0269 8.1906 107.2940 58.7696 73.2374 174.8722 60 R 4.0491 8.5939 119.8436 59.9203 30.0876 177.9314 61 E 4.0831 8.4074 117.7429 59.6465 29.3123 179.0371 62 D 4.4798 8.3090 118.7805 57.2975 40.8730 178.5795 63 L 3.5611 7.7684 120.7331 58.0972 42.0596 179.0457 64 V 3.9046 7.8072 118.0641 66.2680 31.4020 177.6497 65 D 4.4285 8.4458 118.5431 57.5056 40.7238 178.6588 66 E 4.0511 8.5949 119.2689 59.5100 29.5284 179.5722 67 V 3.6543 8.1117 118.5040 65.8808 31.5647 177.8484 68 L 3.6711 8.3579 120.1104 58.1131 41.9109 178.4264 69 N 4.2461 8.3616 116.7638 56.6735 38.4399 176.6671 70 H 4.0718 8.3593 119.2163 59.6274 29.9446 177.7841 71 V 3.8181 8.0213 114.1384 64.2056 31.4200 178.7379 72 V 3.7523 8.0520 118.2051 66.0956 31.2966 178.0476 73 R 3.8066 8.0174 118.2979 59.5411 29.9110 178.3840 74 Q 3.3438 7.8888 117.9697 58.6995 28.4257 178.7457 75 F 3.9265 8.0419 121.7342 61.0163 39.1679 177.1168 76 S 4.0494 8.1011 112.8668 61.4160 62.1750 175.9185 77 N 4.1911 8.2098 119.4078 56.1923 38.0522 176.9665 78 F 4.0578 7.7597 120.6967 61.3738 39.6650 176.8353 79 L 3.6186 7.6336 118.5785 57.6672 41.2126 179.6537 80 S 4.1555 7.4496 112.3128 60.9392 63.1773 175.8046 81 D 4.4653 7.9594 121.7902 55.9813 40.5734 176.5927 82 N 4.8180 7.2308 113.7201 52.4829 39.6742 173.7737 83 I 4.2830 7.4306 119.1609 59.3759 39.3194 174.6608 84 D 4.6269 8.2092 122.9728 52.2405 42.7904 175.9569 85 L 4.1407 8.4934 127.1176 57.0102 41.8258 178.0199 86 D 4.5272 8.1656 117.4137 55.2042 41.2067 176.4765 87 L 4.5255 7.3799 119.1801 53.2502 43.3668 176.5642 88 H 4.5164 8.4987 119.6377 56.0624 31.6867 175.8861 89 A 3.9049 8.9573 129.4486 55.5716 18.1820 180.3338 90 K 3.8966 8.1983 118.5366 59.0247 32.2903 178.5311 91 E 3.9048 8.0290 119.0902 59.2496 29.5708 178.2398 92 N 4.2808 8.2434 116.5495 56.3768 38.5950 177.2194 93 I 3.5460 7.9321 121.0900 64.3369 37.1384 178.1156 94 A 4.0830 8.0408 121.2745 55.4618 18.2615 179.4420 95 N 4.3110 8.2499 114.7415 56.4699 38.3921 177.7018 96 I 3.6722 7.8660 120.2141 64.7270 37.3493 178.2123 97 T 4.2814 8.0947 115.0335 67.1152 68.6871 176.2103 98 N 4.6238 8.7587 118.3733 55.8359 38.6510 177.6664 99 A 4.1332 8.1879 121.5451 52.3175 18.4715 179.5810 *101 I 4.0121 7.7253 122.5137 63.0775 39.4679 177.7256 102 E 3.9440 8.1968 120.3732 59.6639 29.2150 179.0254 103 L 4.0209 7.8919 118.2862 57.6215 41.6561 179.7440 104 V 3.5710 7.5704 117.8307 65.9763 31.4037 178.1186 105 V 3.5577 7.8935 117.2603 65.8581 31.4960 177.0184 106 Q 4.0907 7.9522 116.0503 55.6607 29.8716 174.2591 107 D 4.1945 7.7510 116.2691 56.2801 39.5503 175.1804 108 N 4.5494 7.8130 117.6728 52.8689 39.4248 175.3799 109 H 4.3572 8.7564 124.4958 58.6074 28.8106 177.6357 110 W 4.4489 8.2794 118.1662 59.6241 27.8411 178.0751 111 L 3.3783 6.6555 120.6749 57.2811 41.3007 178.5703 112 K 4.0420 8.0176 119.1825 59.6627 32.0932 178.5459 113 V 3.7758 8.2021 118.4369 65.8855 31.4673 177.6025 114 W 4.3327 8.8188 128.3672 60.7112 30.4164 177.9438 115 F 4.0219 8.7172 117.9606 60.6788 38.0571 177.6398 116 E 4.1108 8.3661 117.2692 59.0777 29.5251 178.9213 117 W 4.1042 8.5951 129.2441 60.3244 30.5597 178.2199 118 S 2.0000 7.2281 112.9931 59.8073 62.1161 175.3085 119 A 4.0678 6.6289 121.9541 50.6379 19.2446 176.8917 120 S 4.1362 7.1540 113.6019 58.9099 62.9268 174.0647 121 T 4.4271 8.3401 115.1112 61.3119 69.3478 173.9310 122 R 4.4326 7.7952 123.3250 55.3733 30.8271 177.3272 123 D 4.1979 8.9469 123.3788 56.7324 40.9454 177.0040 124 E 4.3524 7.9857 114.5408 56.1554 30.3415 175.8658 125 V 4.3386 8.0252 118.7411 64.2075 33.6445 177.6000 126 W 4.5973 8.1509 116.9619 59.2308 27.9239 176.2851 127 P 3.9788 0.0000 0.0000 64.8602 30.5523 178.3381 128 L 3.9372 7.8885 117.5469 57.8840 41.6667 179.0916 129 F 3.4367 7.8726 118.9246 61.2276 39.0863 177.3539 130 V 3.7494 7.9214 116.5867 66.1379 31.4858 177.9437 131 T 3.9704 7.9829 115.4870 67.1472 68.1666 176.9434 132 T 3.8167 7.7168 116.5299 66.2405 68.7740 175.8175 133 N 4.3338 8.0418 117.1269 54.1135 38.8035 176.2735 134 R 3.8393 7.5375 120.5628 60.6314 30.1189 177.7128 135 T 3.8586 7.9853 112.2236 65.6236 67.1389 175.2734 136 N 4.5764 8.3510 117.8807 55.7337 38.7027 177.2073 137 Q 4.0570 8.1409 120.6844 59.2110 29.1228 177.9320 138 L 3.9723 8.3639 121.6071 58.2176 41.8796 178.6085 139 L 3.9674 7.6540 118.5822 58.2957 42.0920 178.8940 140 V 3.8747 7.7740 116.8947 66.0826 31.3770 177.6378 141 Q 4.4826 8.5279 118.0187 58.9734 28.5645 179.7583 142 N 4.3605 8.5467 117.9408 53.2153 38.5076 177.3304 *144 F 4.6821 8.0860 120.5046 57.7943 41.3833 177.6141 145 I 3.7626 8.4061 121.6046 64.5371 36.8959 178.5743 146 K 3.9362 8.3525 119.0920 59.4083 31.8676 179.2217 147 A 4.0042 7.9685 120.5033 55.1683 18.3369 179.5425 148 I 4.0101 8.0199 119.8102 64.2022 37.0058 178.4967 149 E 4.0439 8.1875 118.1590 59.3584 29.3803 178.8835 150 R 4.2920 7.9665 115.0917 55.8626 30.2199 177.1714 151 G 3.9893 7.7000 106.6692 46.3584 0.0000 174.8391 152 E 4.2382 8.3173 121.7104 57.3075 29.9688 176.8107 153 V 4.8118 7.4478 117.6527 60.4336 34.2524 174.0733 154 C 4.2838 9.0726 127.7664 59.4960 31.8125 174.0395 155 D 4.5541 8.6119 125.4483 54.7685 39.5401 176.8928 156 Q 3.9483 8.0441 120.9786 58.9492 29.1064 176.0679 157 H 4.7204 7.4182 115.0340 54.0587 29.9609 175.0738 158 N 4.4263 8.5898 122.7646 52.9631 40.2091 173.7457 159 P 4.2122 0.0000 0.0000 65.8251 31.4065 178.3612 160 E 4.1920 8.7970 119.7279 58.9323 29.5328 178.7000 161 D 4.3018 8.1089 118.4504 57.1247 40.9926 178.3626 162 L 3.5402 8.0268 119.6810 57.7606 41.5295 179.5915 163 A 4.3797 8.0633 120.6674 55.3423 18.3479 179.4949 164 N 4.4316 8.5498 115.3837 56.1105 38.5512 177.4897 165 L 3.9895 8.1514 121.9547 58.1200 42.2171 178.6591 166 F 4.5871 8.2829 120.5623 61.8722 39.3579 176.4588 167 H 4.2701 8.7185 117.8749 59.3000 29.6915 177.2782 168 G 3.7909 8.3950 107.4737 47.9395 0.0000 175.6886 169 I 3.9802 8.1832 122.2070 64.5064 37.2614 178.2439 170 C 4.1957 8.3654 117.6035 63.0798 28.0056 175.6211 171 Y 3.4442 8.6694 121.3096 60.5007 38.4319 178.1053 172 S 4.0659 8.2971 113.9900 61.4488 62.5552 176.0187 173 L 3.7088 8.1810 121.9659 57.5744 41.0685 179.2101 174 F 3.8243 8.0225 119.8948 61.1234 39.3286 176.9086 175 V 3.0770 7.1939 117.5340 66.0972 31.2870 178.0148 176 Q 3.8446 7.6916 117.1378 58.7808 28.2986 178.4624 177 A 4.0336 7.6733 120.2115 54.0464 18.5573 178.5322 178 N 4.3357 7.3207 113.4863 54.3090 38.9131 175.8507 179 R 4.3757 7.4407 117.9111 56.3417 31.3586 176.0334 180 T 4.5753 7.3322 110.8552 60.7021 70.2164 172.4679 181 N 4.5306 8.4694 123.9915 53.6320 40.1379 174.0392 182 N 4.2111 7.8864 116.2061 54.8373 39.7545 174.9586 183 T 3.8969 8.4710 125.7517 66.3766 68.7627 176.5965 184 A 4.0103 8.0228 122.4494 55.1296 18.4947 179.3463 185 E 3.9326 8.4540 117.1592 59.5120 29.4999 179.6767 186 L 3.9237 7.7453 118.7527 57.8283 41.7129 179.6126 187 S 4.1451 7.9250 114.7330 61.4475 62.6638 176.7061 188 K 3.9369 7.9482 121.8851 59.3116 31.9733 178.5235 189 L 3.9118 8.1490 120.9028 58.1484 41.9324 179.0049 190 V 3.5029 8.0822 118.4458 66.1901 31.3723 178.0484 191 S 4.1707 8.1439 114.6822 61.8369 62.4751 176.8226 192 S 4.2109 8.2029 116.7404 61.8937 62.6643 176.2766 193 Y 4.2885 8.1381 118.0713 61.3080 37.7891 178.2871 194 L 4.3570 8.1860 118.6244 57.4925 42.3734 179.6219 195 D 4.8377 8.2575 120.3389 52.7471 39.4980 177.2993 *197 L 4.0524 7.4533 118.3931 55.2768 43.0284 178.0648 198 C 4.8224 8.4594 123.7714 58.2317 27.6445 173.6806 199 I 4.2527 6.8671 111.9922 60.5600 39.4568 176.2250 200 Y 5.0971 7.5632 121.0970 57.0899 39.9277 174.0965 201 K 4.7654 8.4173 123.4510 54.1538 34.6588 176.0389 202 R 3.9447 8.7118 126.8252 56.1803 30.4869 176.0358 203 E 4.0993 8.7505 123.4957 56.7766 30.1611 175.7919 204 H 5.0091 8.3438 118.4010 53.4768 32.2126 173.7866 205 E 4.1628 8.7303 119.1509 56.9513 29.2529 177.2466 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 S 8.33 4.39 0.00 3.84 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 4 I 7.64 3.71 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 1.34 0.76 0.91 0.00 0.00 5 A 9.23 4.18 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 6 K 8.38 4.42 0.00 1.66 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.62 1.48 7.81 7 R 9.17 4.30 0.00 1.65 1.85 0.00 3.34 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 8 P 0.00 4.44 0.00 1.94 2.00 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 9 R 8.46 4.11 0.00 1.81 1.87 0.00 3.23 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 10 T 8.00 4.54 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 1.21 0.00 0.00 11 R 8.29 4.52 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 12 L 8.08 4.90 0.00 1.60 1.54 0.95 0.91 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 13 S 8.34 4.41 0.00 4.07 4.01 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 14 P 0.00 4.77 0.00 2.24 2.26 0.00 3.93 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 15 L 8.03 3.95 0.00 1.77 1.69 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.94 4.03 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 17 R 8.55 3.69 0.00 1.80 1.70 0.00 3.05 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.00 18 K 7.50 3.36 0.00 1.78 1.98 0.00 1.50 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.45 1.47 7.81 19 Q 7.67 4.07 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 20 Q 8.24 4.15 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 21 L 7.91 4.19 0.00 1.77 1.76 0.78 1.18 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 *23 E 8.19 4.32 0.00 2.26 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 2.34 2.55 0.00 24 I 7.89 3.66 1.82 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 1.44 0.66 0.87 0.00 0.00 25 A 7.80 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.75 3.95 0.00 1.94 1.87 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.18 3.68 0.00 2.12 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 2.25 2.10 0.00 28 V 8.29 3.59 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 1.13 0.00 0.00 0.98 0.00 0.00 29 F 8.84 4.50 0.00 3.02 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 30 A 8.26 4.11 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 31 R 8.16 4.07 0.00 1.88 1.96 0.00 3.23 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 32 R 8.24 4.46 0.00 1.94 1.91 0.00 3.20 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 33 G 7.47 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 34 I 7.74 2.74 1.12 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 0.99 0.25 -1.10 0.00 0.00 35 G 5.60 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.28 4.01 0.00 1.83 1.90 0.00 3.21 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 37 G 7.77 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 0.00 0.00 0.00 0.00 38 G 7.93 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.72 4.02 0.00 2.40 2.35 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 0.00 116 E 8.37 4.11 0.00 1.99 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 2.78 2.61 0.00 117 W 8.60 4.10 0.00 3.67 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 0.00 118 S 7.23 2.00 0.00 2.96 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 0.00 119 A 6.63 4.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.15 4.14 0.00 3.77 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 0.00 121 T 8.34 4.43 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 1.11 0.00 0.00 122 R 7.80 4.43 0.00 1.85 2.08 0.00 3.06 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 123 D 8.95 4.20 0.00 2.65 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 0.00 124 E 7.99 4.35 0.00 2.03 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 2.17 2.17 0.00 125 V 8.03 4.34 2.17 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 0.75 0.00 0.00 0.79 0.00 0.00 126 W 8.15 4.60 0.00 3.64 3.48 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 0.00 127 P 0.00 3.98 0.00 1.82 1.58 0.00 3.18 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 0.00 128 L 7.89 3.94 0.00 2.19 1.79 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.87 3.44 0.00 2.83 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 0.00 130 V 7.92 3.75 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 1.03 0.00 0.00 1.32 0.00 0.00 131 T 7.98 3.97 4.32 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 1.17 0.00 0.00 132 T 7.72 3.82 3.90 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 1.11 0.00 0.00 133 N 8.04 4.33 0.00 1.44 2.08 0.00 0.00 6.78 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.54 3.84 0.00 1.96 1.90 0.00 3.17 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 135 T 7.99 3.86 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 1.26 0.00 0.00 136 N 8.35 4.58 0.00 3.28 3.18 0.00 0.00 6.67 6.97 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 0.00 137 Q 8.14 4.06 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 138 L 8.36 3.97 0.00 1.91 1.95 0.95 0.53 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 0.00 139 L 7.65 3.97 0.00 1.94 1.94 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.77 3.87 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 1.42 0.00 0.00 1.28 0.00 0.00 141 Q 8.53 4.48 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 142 N 8.55 4.36 0.00 2.80 2.85 0.00 0.00 7.02 7.81 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 *144 F 8.09 4.68 0.00 3.35 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 0.00 145 I 8.41 3.76 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.95 0.00 0.00 146 K 8.35 3.94 0.00 1.85 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 147 A 7.97 4.00 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 0.00 148 I 8.02 4.01 2.07 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 1.75 1.55 0.94 0.00 0.00 149 E 8.19 4.04 0.00 2.10 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 2.36 2.53 0.00 150 R 7.97 4.29 0.00 1.92 1.95 0.00 3.25 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 151 G 7.70 3.99 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 0.00 0.00 0.00 152 E 8.32 4.24 0.00 2.13 1.78 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 2.16 2.19 0.00 153 V 7.45 4.81 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.11 0.00 0.00 154 C 9.07 4.28 0.00 2.98 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 0.00 155 D 8.61 4.55 0.00 2.83 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 0.00 156 Q 8.04 3.95 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 157 H 7.42 4.72 0.00 3.09 3.10 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.59 4.43 0.00 2.74 2.82 0.00 0.00 7.20 7.71 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 0.00 159 P 0.00 4.21 0.00 2.25 2.36 0.00 3.67 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 2.16 2.21 0.00 160 E 8.80 4.19 0.00 2.03 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 0.00 2.32 2.35 0.00 161 D 8.11 4.30 0.00 2.83 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 0.00 162 L 8.03 3.54 0.00 1.09 0.13 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.06 4.38 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.55 4.43 0.00 2.81 2.90 0.00 0.00 6.64 7.56 0.00 0.00 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 L 8.15 3.99 0.00 1.75 1.66 0.94 0.68 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 0.00 166 F 8.28 4.59 0.00 3.37 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 H 8.72 4.27 0.00 3.47 3.58 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.40 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 0.00 169 I 8.18 3.98 2.42 0.00 0.00 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 1.64 0.93 1.31 0.00 0.00 170 C 8.37 4.20 0.00 3.26 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 8.67 3.44 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 0.00 172 S 8.30 4.07 0.00 4.20 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.18 3.71 0.00 1.78 1.55 0.91 0.45 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 0.00 174 F 8.02 3.82 0.00 1.98 2.35 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 0.00 175 V 7.19 3.08 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 0.80 0.00 0.00 0.50 0.00 0.00 176 Q 7.69 3.84 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 177 A 7.67 4.03 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 0.00 178 N 7.32 4.34 0.00 2.38 2.62 0.00 0.00 6.88 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 R 7.44 4.38 0.00 1.85 1.87 0.00 3.06 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 180 T 7.33 4.58 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 1.20 0.00 0.00 181 N 8.47 4.53 0.00 2.67 2.77 0.00 0.00 6.96 7.79 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 0.00 182 N 7.89 4.21 0.00 2.81 2.85 0.00 0.00 7.05 6.88 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 0.00 183 T 8.47 3.90 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 1.21 0.00 0.00 184 A 8.02 4.01 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 0.00 185 E 8.45 3.93 0.00 2.15 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 2.31 2.45 0.00 186 L 7.75 3.92 0.00 1.70 1.66 0.86 1.24 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 0.00 187 S 7.93 4.15 0.00 4.04 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 0.00 188 K 7.95 3.94 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 189 L 8.15 3.91 0.00 1.81 1.69 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 190 V 8.08 3.50 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 1.11 0.00 0.00 0.96 0.00 0.00 191 S 8.14 4.17 0.00 4.08 3.94 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 0.00 192 S 8.20 4.21 0.00 4.14 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 0.00 193 Y 8.14 4.29 0.00 3.05 3.12 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 0.00 194 L 8.19 4.36 0.00 1.72 1.86 1.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 195 D 8.26 4.84 0.00 2.74 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 *197 L 7.45 4.05 0.00 1.95 1.66 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 198 C 8.46 4.82 0.00 2.93 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 0.00 199 I 6.87 4.25 1.53 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.36 0.59 0.00 0.00 200 Y 7.56 5.10 0.00 3.03 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 0.00 201 K 8.42 4.77 0.00 1.83 1.83 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.40 7.81 202 R 8.71 3.94 0.00 1.80 1.78 0.00 3.25 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 203 E 8.75 4.10 0.00 2.12 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 2.26 2.31 0.00 204 H 8.34 5.01 0.00 3.12 3.22 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 E 8.73 4.16 0.00 1.98 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 2.34 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.