NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.8108 8.4449 120.3995 55.5758 31.0889 172.4526 0 H 3.8917 8.2713 118.7955 55.3837 28.9544 173.6761 1 M 4.3652 9.1860 124.1079 55.7578 33.8036 175.2395 2 K 4.7974 8.8277 125.2621 55.2362 34.9278 175.4819 3 I 4.9093 8.8936 123.9942 59.7691 39.9565 174.9447 4 F 5.5675 8.9055 125.8344 56.1632 41.8647 174.6342 5 L 5.1474 8.4258 120.9517 53.4939 43.8433 176.1237 6 D 5.0368 9.1556 124.8641 53.9265 39.7133 175.3558 7 T 4.3863 8.1401 115.1132 61.3217 71.0916 172.3888 8 A 4.5708 8.5607 125.6093 51.2222 20.3594 176.0120 9 N 4.5750 8.2821 119.7660 54.1128 39.8659 176.5297 10 L 4.1207 8.5354 133.9618 59.5417 41.2170 176.1774 *11 E 4.1855 8.0893 117.2512 61.4639 29.8099 183.1725 12 E 3.2669 8.2090 119.1433 58.8049 29.3054 179.3443 13 I 3.6916 7.5612 122.8006 64.5489 37.1511 178.9683 *14 K 3.9368 8.0341 124.7318 59.8071 31.4168 181.1456 15 K 3.6813 7.8531 119.9741 58.8607 31.9909 179.5359 16 G 3.9804 8.0102 106.0427 48.2862 0.0000 176.0749 17 V 3.7780 8.0074 114.9692 63.8103 31.3807 178.3308 18 E 3.9386 8.2711 118.0778 59.4586 29.4055 179.2549 19 W 4.7566 8.2306 117.3120 57.2824 29.2805 176.7274 20 G 4.0022 8.2133 106.6068 46.9444 0.0000 174.4168 21 I 4.4536 7.9748 119.8344 60.2446 39.5297 175.9744 22 V 4.5479 7.9580 119.9629 61.4888 32.2786 174.6176 23 D 4.7956 9.1472 127.0468 54.9795 43.0471 176.0056 24 G 3.2658 7.4376 103.7988 45.6590 0.0000 172.0984 25 V 5.0657 7.9260 119.0517 61.2466 35.4145 174.3072 26 T 5.0997 8.9490 117.2697 59.3520 71.2919 172.9187 27 T 5.1798 8.3212 118.4224 60.6097 70.0908 172.1188 28 N 5.1021 8.4081 119.0623 50.9364 39.8404 173.6803 29 P 4.6054 0.0000 0.0000 66.1947 31.9491 178.1971 30 T 3.9929 7.5297 112.1787 66.7669 68.3999 176.2517 31 L 4.2284 7.7835 119.8714 56.6536 42.7826 178.1670 32 I 4.4578 7.0994 120.4066 60.6759 37.9995 174.4898 *39 F 4.5593 8.0199 123.8428 58.0060 41.4771 177.1400 40 K 3.9884 8.8106 121.0893 60.7633 32.5499 179.1106 41 Q 4.0557 8.1654 119.8245 60.4190 27.9151 180.9255 42 R 4.0058 7.6957 119.9519 59.1767 30.2183 178.3857 43 V 3.3761 8.1105 118.7042 65.8666 31.3809 177.9024 44 K 3.8830 8.4462 119.4290 59.6343 32.1453 178.6088 45 E 3.9556 8.4825 119.2180 59.4633 29.2667 179.5160 46 I 3.6590 8.1374 120.2455 64.3791 37.0670 178.0986 47 C 4.1039 8.2949 120.1266 63.7603 27.8156 176.5916 *48 D 4.3695 7.9398 121.0313 58.2082 39.3504 180.0589 49 L 4.2566 7.3938 120.2290 58.0966 42.3764 179.0422 50 V 3.7182 8.0925 120.0530 62.4047 32.6192 176.6053 51 K 3.0442 7.9131 120.5246 54.0468 29.1852 176.8614 52 G 3.8779 6.1379 104.8476 45.7916 0.0000 171.5125 53 P 4.6264 0.0000 0.0000 62.8076 32.4476 176.0251 54 V 4.6908 8.6897 125.0496 60.9153 33.8955 174.3578 55 S 5.1405 8.8517 124.1963 57.8298 64.7125 173.2159 56 A 4.9735 9.1453 124.9003 50.2926 22.4550 175.0239 57 E 4.6897 9.1138 120.7796 55.9542 30.9186 176.6679 58 V 4.1616 7.6073 116.1073 60.5209 33.0310 177.0748 59 V 3.6219 8.4659 122.1194 65.9984 31.4084 176.9277 60 S 4.3822 8.5729 114.4570 58.1485 62.7531 174.0503 61 L 4.6788 8.2181 122.7716 54.5869 43.7178 177.5096 62 D 4.6628 7.7909 119.1011 52.7210 41.6976 176.2908 63 Y 4.1442 8.6210 122.2575 61.1083 38.7644 178.5185 64 E 3.6307 8.1813 118.8222 59.4000 29.6945 179.5360 65 G 3.6145 8.8782 107.2849 47.3700 0.0000 175.6012 66 M 4.0375 8.2250 121.3025 58.1485 32.0103 179.0711 67 V 3.4332 7.4553 118.2340 65.8408 31.5677 177.6555 68 R 3.8281 7.8938 118.6301 59.9007 29.8285 178.2877 69 E 3.9689 8.2370 117.7428 59.0799 29.3819 179.0183 70 A 4.0277 8.2129 121.1072 55.4343 18.0766 179.9256 71 R 3.8965 8.0470 116.4030 59.3150 29.8556 179.2679 72 E 3.9925 7.6408 117.6009 59.5161 29.8986 179.0949 73 L 4.1676 8.4672 119.2230 57.7059 41.5754 179.4103 74 A 4.0709 8.4841 121.4975 55.0196 18.0929 179.3803 75 Q 4.1591 7.6588 114.3614 58.5782 28.6915 178.4034 76 I 3.8245 7.4729 121.9389 63.4660 37.8961 176.0424 77 S 4.5382 7.1334 109.6054 56.9575 65.5456 175.8141 78 E 3.9505 8.6334 123.9848 59.1601 29.5288 177.5622 79 Y 4.5673 7.6988 116.8507 59.1546 38.4500 175.5332 80 V 4.2750 7.5262 120.5255 61.6271 32.2185 175.8807 81 V 4.5289 8.9581 124.8269 61.0912 34.6143 174.0888 82 I 4.7242 8.6259 128.9361 60.1858 38.4610 175.2038 83 K 4.7862 9.1740 128.2707 56.3940 33.3209 176.1400 84 I 4.9049 8.8427 126.3750 58.5312 40.6169 173.4982 85 P 4.6485 0.0000 0.0000 62.8626 32.8204 175.7446 86 M 4.6833 8.4820 122.9868 55.8769 30.9193 175.2047 87 T 4.7476 8.0308 113.8919 57.9185 72.6458 173.4334 88 P 4.2109 0.0000 0.0000 66.3260 31.1831 178.5504 89 D 4.4896 8.2187 116.8197 57.3777 40.7823 179.0182 90 G 3.7493 8.0716 107.5529 47.3964 0.0000 175.8837 91 I 3.7896 8.2025 122.6682 63.7840 37.2067 178.3560 92 K 3.7580 8.3211 120.5611 59.4643 31.9836 178.6813 93 A 4.4341 8.5326 121.2843 55.2936 18.2434 179.7311 94 V 3.5788 8.0270 116.7950 65.8927 31.4615 178.0331 95 K 4.1116 7.9530 120.6850 59.2835 31.7580 178.9051 96 T 3.9200 7.8893 115.4454 66.8049 68.4270 176.8830 97 L 4.0478 8.5913 121.2144 57.7347 41.5639 179.6697 98 S 4.0988 8.5184 115.3898 61.7066 62.6208 176.7089 99 A 4.0586 7.6856 121.5830 54.5010 18.0997 178.4327 100 E 4.4508 7.6042 114.9387 55.6525 29.7454 176.7678 101 G 3.8738 7.8785 106.7699 46.2019 0.0000 173.3601 102 I 4.3553 7.6969 120.6100 59.4690 38.2464 176.1190 103 K 4.4246 8.7036 126.9861 56.5437 33.0032 176.1034 104 T 5.1681 10.2067 113.6412 59.9983 72.7760 172.5855 105 N 5.3436 9.5296 121.7057 51.9158 41.9935 173.2288 106 V 4.3906 8.8798 128.1515 62.9395 32.9007 175.0632 107 T 4.7943 9.1128 122.4740 59.5927 71.0719 172.9712 108 L 2.4400 7.5374 119.7003 55.1948 39.0823 175.3502 109 V 4.1141 6.5613 116.7145 61.6121 32.5267 175.5707 110 F 5.0487 9.6578 124.3728 56.5195 40.8811 175.4791 111 S 4.7620 7.7498 115.4290 55.2287 67.2159 172.9431 112 P 4.2861 0.0000 0.0000 65.6218 31.1105 178.9482 113 A 4.0050 7.9783 119.2698 55.2773 18.4208 179.3575 114 Q 3.9398 8.0367 116.1852 59.2317 28.8148 179.1071 115 A 4.0541 7.9128 121.1139 55.1514 18.2470 179.8140 116 I 3.5419 7.8696 118.3385 64.5166 37.2137 178.5989 117 L 3.8856 7.7506 119.0817 57.6618 41.4486 179.4384 118 A 3.9360 8.1204 120.4373 55.0930 18.3450 179.5572 119 A 4.2153 7.6425 120.5074 54.7737 18.0610 180.1207 120 K 3.8916 7.7280 115.7352 59.2368 32.3080 179.0952 121 A 4.1878 8.1119 120.7191 53.1507 18.0407 178.5262 122 G 3.7572 7.7190 105.4063 45.3088 0.0000 173.8561 123 A 4.2198 7.4790 121.1931 51.7542 19.1675 179.0675 124 T 3.9800 8.5462 118.1177 66.2351 69.6958 174.2512 125 Y 5.5175 8.4772 117.2389 56.2941 42.8191 175.0635 126 V 4.8781 8.9393 114.0756 59.9773 35.9830 175.2000 127 S 5.6373 9.0643 120.4053 55.0350 64.3244 170.6855 128 P 4.4992 0.0000 0.0000 62.4654 32.4203 175.6130 129 F 4.8569 8.8472 124.1404 56.4425 38.3632 177.0584 130 V 3.6993 8.8262 123.3221 65.9275 31.7241 177.7981 131 G 3.6840 8.2171 105.4580 47.9183 0.0000 175.7865 132 R 4.1320 8.0395 119.5026 59.2670 30.2320 178.7128 133 M 4.2823 8.0910 118.2123 58.2828 31.9049 178.1446 134 D 4.4644 8.4879 119.4998 57.8404 40.9094 178.6240 135 D 4.5172 7.8523 116.0814 55.9732 39.7043 177.7326 136 L 4.2546 7.6982 119.0342 54.4008 41.5633 177.5269 137 S 3.9543 7.9336 114.1039 59.7296 60.7765 171.9089 138 N 4.5804 7.6099 114.0681 52.3905 38.6169 172.8434 139 D 4.3244 8.0787 123.0882 54.2057 38.8680 173.9802 140 G 3.6627 9.2532 113.1275 47.4333 0.0000 172.5975 141 M 4.0946 8.2476 120.0861 58.3598 32.3702 178.1772 142 R 3.9425 8.1717 118.9880 59.4326 30.3694 178.3733 143 M 4.1090 7.8866 117.1804 58.2412 31.1355 178.3449 144 L 3.9987 8.1778 121.6040 57.8299 42.2868 179.1285 145 G 3.6183 8.1708 105.7183 47.9036 0.0000 175.5437 146 E 4.0674 8.0918 120.6634 59.1412 29.3687 179.5227 147 I 3.6709 7.6776 119.7953 64.2031 37.0806 178.4648 148 V 3.5396 7.8887 119.3525 66.0292 31.3331 177.5846 149 E 3.9349 8.2530 118.8287 59.5172 29.2799 178.9378 150 I 3.9150 7.9966 119.7788 64.7093 37.2153 178.1049 151 Y 4.4719 8.7968 117.9941 61.2548 37.4609 178.2800 152 N 4.4160 8.4708 116.9945 56.3318 38.6965 176.8420 153 N 4.2158 8.0422 117.1248 55.4558 37.5842 175.9034 154 Y 4.5470 7.4011 115.0383 56.0142 39.3629 175.7154 155 G 4.1447 8.0109 108.0757 45.7213 0.0000 174.1918 156 F 4.2339 7.0298 119.2696 58.1488 39.6189 177.9595 157 E 4.0537 8.8298 120.4307 58.7713 30.1693 176.0641 158 T 4.2726 7.2023 111.8529 64.8830 69.6750 173.1693 159 E 5.2076 9.1381 125.0934 54.9395 32.5148 174.9689 160 I 4.6254 9.1220 124.8034 60.4533 39.2535 174.9252 161 I 4.2322 8.9193 128.9357 59.2204 38.5472 174.8767 162 A 4.0257 8.9475 130.7896 52.5225 19.3915 176.1483 163 A 4.4844 8.4637 123.5902 49.6386 23.1479 175.2866 164 S 3.4235 7.6233 109.6123 59.2953 60.7217 171.8881 165 I 4.3192 7.4163 118.9317 60.6409 38.0944 176.4574 166 R 4.5566 8.5805 123.0476 56.9294 32.4689 175.1995 167 H 4.8102 7.4925 110.9652 52.5317 31.2711 172.3979 168 P 4.2261 0.0000 0.0000 66.3602 30.8920 178.8733 169 M 4.1031 8.1430 116.7053 58.4021 31.8632 178.2144 170 H 4.2017 7.8772 116.7718 58.9276 28.8319 177.9615 171 V 3.5436 7.5449 119.4006 65.9512 31.4685 178.1547 172 V 3.5579 7.9458 118.1218 66.0054 31.4397 177.8917 173 E 3.9376 8.5592 118.5207 59.3210 29.3167 179.1651 174 A 3.9644 8.1993 120.6659 55.0878 18.4599 179.5904 175 A 3.9414 8.1965 119.3863 55.2492 18.2155 179.8814 176 L 3.9888 7.9641 117.0475 57.6652 41.7729 178.8310 177 M 4.3216 7.9114 114.8053 55.2041 31.8075 176.3814 178 G 3.7861 7.7786 107.7353 46.2238 0.0000 174.4200 179 V 3.7853 7.4752 118.2996 61.3472 32.3192 175.9268 180 D 4.6024 8.7602 121.9411 57.2834 41.9109 176.4057 181 I 4.8914 7.9239 117.8735 59.5238 42.0916 174.7010 182 V 4.6460 8.4527 118.9062 59.7476 34.5441 174.3391 183 T 5.2017 8.3557 120.8481 60.6813 68.8450 173.4565 184 M 4.9879 8.7769 124.7563 53.0353 35.5083 172.9276 185 P 4.7014 0.0000 0.0000 62.1850 32.5023 177.4137 186 F 4.2559 9.1161 122.5571 61.6712 39.0770 177.3028 187 A 4.2149 8.1713 121.1449 54.6026 17.8876 179.6853 188 V 3.5286 7.5532 115.3692 65.8511 32.0081 177.4475 189 L 4.0668 7.7569 119.9299 58.2956 41.5720 178.6150 190 E 3.7226 8.0068 118.6179 59.5659 29.3285 179.6210 191 K 3.9692 7.7592 118.2824 59.4810 31.8622 179.3540 192 L 3.9410 7.4909 117.8593 57.6008 41.4937 179.2638 193 F 3.9670 7.9217 117.2801 58.7439 39.1679 175.8240 194 K 4.4584 7.4577 117.6500 55.9073 33.4510 176.2534 195 H 4.6497 8.2468 119.5644 53.3978 33.8354 172.9845 196 P 4.4207 0.0000 0.0000 66.4016 31.0937 178.6788 197 M 4.1778 8.1084 117.8740 58.1847 31.9276 178.6564 198 T 3.8935 7.9388 115.7654 66.6219 68.7234 176.1593 199 D 4.3654 7.9916 120.4264 57.4490 40.8200 178.9324 200 L 4.1115 8.0289 119.5702 57.7061 41.6014 179.7708 201 G 3.6287 8.2412 105.6921 47.9184 0.0000 175.8019 202 I 3.7534 7.7185 121.2462 64.1722 37.4298 178.0781 203 E 4.1058 8.2756 119.4895 59.4107 29.0453 179.4062 204 R 4.0797 8.5399 121.1192 58.8996 29.9805 177.4243 *205 F 5.0419 7.6511 120.2080 58.3150 39.5988 180.3743 206 M 4.9680 7.7033 115.8486 57.0104 36.6576 175.9113 207 E 4.0551 8.2954 119.4882 59.5729 29.8634 176.5805 208 D 4.5173 7.4251 121.6980 54.6114 40.7894 176.3207 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 -1 H 8.44 4.81 0.00 3.15 3.35 0.00 5.74 0.00 0.00 0.00 0.00 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 H 8.27 3.89 0.00 2.97 3.17 0.00 5.77 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 1 M 9.19 4.37 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 2 K 8.83 4.80 0.00 1.64 1.52 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.71 7.81 3 I 8.89 4.91 2.15 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 1.20 0.69 0.99 0.00 0.00 4 F 8.91 5.57 0.00 2.84 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 5 L 8.43 5.15 0.00 1.67 1.65 1.12 1.52 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 6 D 9.16 5.04 0.00 2.55 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 7 T 8.14 4.39 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 1.19 0.00 0.00 8 A 8.56 4.57 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 9 N 8.28 4.58 0.00 2.72 2.60 0.00 0.00 7.32 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 10 L 8.54 4.12 0.00 1.69 1.66 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.09 4.19 0.00 1.97 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 1.93 0.00 12 E 8.21 3.27 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 13 I 7.56 3.69 1.76 0.00 0.00 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 1.32 0.63 0.84 0.00 0.00 *14 K 8.03 3.94 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 15 K 7.85 3.68 0.00 1.50 1.08 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.54 0.89 7.81 16 G 8.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.01 3.78 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 0.83 0.00 0.00 0.93 0.00 0.00 18 E 8.27 3.94 0.00 1.76 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 2.26 2.39 0.00 19 W 8.23 4.76 0.00 3.75 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 20 G 8.21 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 21 I 7.97 4.45 2.16 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 1.09 0.00 0.00 22 V 7.96 4.55 2.10 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 0.93 0.00 0.00 1.15 0.00 0.00 23 D 9.15 4.80 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.44 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 0.00 0.00 0.00 25 V 7.93 5.07 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 1.06 0.00 0.00 0.81 0.00 0.00 26 T 8.95 5.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 27 T 8.32 5.18 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 1.25 0.00 0.00 28 N 8.41 5.10 0.00 3.16 2.92 0.00 0.00 5.91 7.76 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 29 P 0.00 4.61 0.00 2.07 2.11 0.00 3.81 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 1.99 2.04 0.00 30 T 7.53 3.99 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 1.24 0.00 0.00 31 L 7.78 4.23 0.00 1.79 1.77 0.96 0.83 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 0.00 0.00 0.00 1.26 0.00 0.00 105 N 9.53 5.34 0.00 3.02 2.83 0.00 0.00 6.98 7.64 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 0.00 106 V 8.88 4.39 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 0.86 0.00 0.00 0.97 0.00 0.00 107 T 9.11 4.79 4.34 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 1.30 0.00 0.00 108 L 7.54 2.44 0.00 1.66 1.62 0.91 0.65 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 0.00 109 V 6.56 4.11 2.10 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 0.90 0.00 0.00 0.91 0.00 0.00 110 F 9.66 5.05 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.75 4.76 0.00 4.02 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 0.00 112 P 0.00 4.29 0.00 2.23 2.20 0.00 3.64 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 2.15 2.27 0.00 113 A 7.98 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 0.00 114 Q 8.04 3.94 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 115 A 7.91 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.87 3.54 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.91 0.91 0.00 0.00 117 L 7.75 3.89 0.00 1.81 1.68 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.12 3.94 1.37 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 0.00 0.00 119 A 7.64 4.22 0.09 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 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.73 3.89 0.00 1.68 1.83 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.45 7.81 121 A 8.11 4.19 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.72 3.76 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 0.00 0.00 0.00 123 A 7.48 4.22 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.55 3.98 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 0.97 0.00 0.00 125 Y 8.48 5.52 0.00 3.08 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 0.00 126 V 8.94 4.88 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 0.77 0.00 0.00 1.12 0.00 0.00 127 S 9.06 5.64 0.00 3.85 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 0.00 128 P 0.00 4.50 0.00 2.02 1.91 0.00 3.71 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 2.00 2.02 0.00 129 F 8.85 4.86 0.00 2.48 3.23 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 0.00 130 V 8.83 3.70 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 0.90 0.00 0.00 0.85 0.00 0.00 131 G 8.22 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.04 4.13 0.00 2.24 2.14 0.00 3.42 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 133 M 8.09 4.28 0.00 2.14 2.49 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 3.06 0.00 134 D 8.49 4.46 0.00 2.99 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 0.00 135 D 7.85 4.52 0.00 2.69 2.75 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 0.00 136 L 7.70 4.25 0.00 1.79 1.77 0.83 0.94 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 0.00 137 S 7.93 3.95 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 7.61 4.58 0.00 2.73 2.86 0.00 0.00 6.81 7.94 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 0.00 139 D 8.08 4.32 0.00 2.86 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 0.00 140 G 9.25 3.66 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 0.00 0.00 0.00 141 M 8.25 4.09 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.90 0.00 142 R 8.17 3.94 0.00 2.12 2.08 0.00 3.16 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 1.64 1.64 0.00 143 M 7.89 4.11 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 144 L 8.18 4.00 0.00 1.84 1.84 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.17 3.62 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 0.00 146 E 8.09 4.07 0.00 2.24 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 2.35 2.44 0.00 147 I 7.68 3.67 1.84 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 1.31 0.74 0.26 0.00 0.00 148 V 7.89 3.54 2.19 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 1.12 0.00 0.00 0.93 0.00 0.00 149 E 8.25 3.93 0.00 2.23 2.19 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 2.32 2.42 0.00 150 I 8.00 3.92 2.17 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.81 1.43 0.00 0.00 151 Y 8.80 4.47 0.00 3.31 3.16 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 0.00 0.00 0.00 152 N 8.47 4.42 0.00 2.85 2.87 0.00 0.00 7.07 8.62 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 0.00 153 N 8.04 4.22 0.00 2.35 2.04 0.00 0.00 6.86 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 0.00 154 Y 7.40 4.55 0.00 1.94 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 0.00 0.00 0.00 155 G 8.01 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 0.00 156 F 7.03 4.23 0.00 2.71 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 0.00 157 E 8.83 4.05 0.00 1.99 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 0.00 2.23 1.90 0.00 158 T 7.20 4.27 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 1.42 0.00 0.00 159 E 9.14 5.21 0.00 2.08 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 2.35 2.50 0.00 160 I 9.12 4.63 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.83 0.79 0.00 0.00 161 I 8.92 4.23 1.83 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.09 0.76 0.00 0.00 162 A 8.95 4.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.46 4.48 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.62 3.42 0.00 3.68 3.64 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 0.00 165 I 7.42 4.32 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.98 0.88 0.00 0.00 166 R 8.58 4.56 0.00 1.81 2.00 0.00 3.45 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 167 H 7.49 4.81 0.00 3.22 3.34 0.00 5.48 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.23 0.00 2.18 2.14 0.00 3.63 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 2.11 2.19 0.00 169 M 8.14 4.10 0.00 2.05 2.17 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 2.68 2.57 0.00 170 H 7.88 4.20 0.00 3.23 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 V 7.54 3.54 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 0.98 0.00 0.00 0.90 0.00 0.00 172 V 7.95 3.56 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 0.95 0.00 0.00 0.94 0.00 0.00 173 E 8.56 3.94 0.00 2.19 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 2.33 2.33 0.00 174 A 8.20 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 0.00 175 A 8.20 3.94 1.33 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 0.00 176 L 7.96 3.99 0.00 1.76 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 177 M 7.91 4.32 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.73 0.00 178 G 7.78 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 0.00 179 V 7.48 3.79 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 0.68 0.00 0.00 0.93 0.00 0.00 180 D 8.76 4.60 0.00 2.87 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 0.00 181 I 7.92 4.89 1.65 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 0.86 0.61 -0.29 0.00 0.00 182 V 8.45 4.65 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 0.68 0.00 0.00 0.87 0.00 0.00 183 T 8.36 5.20 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 0.00 184 M 8.78 4.99 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 185 P 0.00 4.70 0.00 2.25 2.06 0.00 3.62 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 2.13 2.09 0.00 186 F 9.12 4.26 0.00 3.26 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 0.00 187 A 8.17 4.21 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 0.00 188 V 7.55 3.53 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 0.83 0.00 0.00 0.97 0.00 0.00 189 L 7.76 4.07 0.00 1.87 1.72 0.97 1.37 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 0.00 190 E 8.01 3.72 0.00 2.03 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 2.03 1.55 0.00 191 K 7.76 3.97 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.65 7.81 192 L 7.49 3.94 0.00 1.49 1.56 0.83 1.15 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 0.00 193 F 7.92 3.97 0.00 2.83 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 0.00 194 K 7.46 4.46 0.00 1.84 1.72 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.50 7.81 195 H 8.25 4.65 0.00 3.13 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.42 0.00 2.26 2.24 0.00 3.17 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 197 M 8.11 4.18 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 198 T 7.94 3.89 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 199 D 7.99 4.37 0.00 2.90 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 0.00 200 L 8.03 4.11 0.00 1.86 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 201 G 8.24 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 0.00 202 I 7.72 3.75 2.10 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 1.53 0.58 0.92 0.00 0.00 203 E 8.28 4.11 0.00 2.17 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 2.33 2.50 0.00 204 R 8.54 4.08 0.00 1.96 2.08 0.00 3.19 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 *205 F 7.65 5.04 0.00 2.43 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 0.00 0.00 0.00 0.00 206 M 7.70 4.97 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 207 E 8.30 4.06 0.00 2.00 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 2.53 2.43 0.00 208 D 7.43 4.52 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.