NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3054 8.1693 120.9913 54.9153 42.6201 177.1698 8 P 4.0504 0.0000 0.0000 61.2891 32.2073 174.2717 9 Y 4.3760 8.2934 120.3987 58.3568 39.5608 176.4862 10 E 4.8714 8.6653 123.5357 54.4089 31.8831 173.7127 11 P 4.2657 0.0000 0.0000 62.6960 32.2814 175.6090 12 V 4.2587 8.3572 125.3009 61.6501 33.2933 176.5979 13 K 4.1501 8.4577 127.9409 53.9322 32.3108 177.0311 14 G 3.7500 8.3455 104.7735 47.5787 0.0000 171.6939 15 L 4.4129 8.0026 127.5191 53.1340 43.2131 176.5696 16 L 4.2949 8.2245 126.1110 53.5241 42.5838 174.7875 17 P 4.4705 0.0000 0.0000 62.8419 32.2951 176.2455 18 R 4.4543 8.3405 120.5237 54.9733 31.6538 174.3625 19 P 4.7490 0.0000 0.0000 62.5353 32.2945 175.9540 20 A 4.3710 8.5445 123.6140 52.0629 19.3876 177.0211 21 V 4.1160 8.9884 121.6521 61.6428 33.1221 174.4486 22 G 3.9632 8.4746 113.9050 44.4270 0.0000 172.5896 23 T 4.0482 8.4927 108.5643 62.0476 69.9588 174.5933 24 S 3.8327 8.2185 117.3454 59.2381 59.9311 171.9492 25 E 4.2049 7.8898 117.2494 56.3893 30.7630 178.3026 26 R 4.1804 8.6795 120.2271 58.8438 31.5229 176.7340 27 V 4.9634 7.6769 117.6884 61.3094 34.6161 174.6059 28 I 4.3912 8.7669 129.5180 59.9151 38.8919 175.2055 29 T 4.4668 8.5365 124.5350 63.3457 69.1223 174.0226 30 L 4.8551 7.7941 125.6069 51.8903 43.8087 175.0090 31 P 4.3811 0.0000 0.0000 62.2926 31.8983 176.0399 32 E 4.0093 8.5669 119.2172 55.5072 30.0235 174.8590 33 P 4.0431 0.0000 0.0000 62.7614 31.4678 175.6483 34 D 4.5840 8.0652 119.7268 52.1773 41.1084 175.7435 35 R 4.0817 7.6924 120.0606 56.3861 30.5569 176.2025 36 T 4.4723 8.4586 110.7645 61.1722 69.9278 173.7083 37 S 4.5919 8.3936 116.7420 56.7984 64.7030 171.2689 38 G 3.6249 8.1808 111.1953 45.1076 0.0000 171.9336 *40 P 4.2057 0.0000 0.0000 61.0240 32.9285 177.9480 41 L 3.6914 8.5120 122.9974 55.6751 42.4764 179.2763 *43 G 4.0372 8.3312 107.2805 45.3292 0.0000 176.0856 44 T 3.9468 7.9603 110.8034 64.2962 69.0394 176.5467 45 L 3.9452 8.2438 121.8046 57.2865 41.7725 178.6282 46 W 4.2162 8.2201 117.0914 59.2501 29.0573 176.7709 47 L 4.5387 7.6487 115.1080 54.2354 41.5104 176.5454 48 R 4.0057 7.6294 121.3820 56.2233 30.2158 175.5965 49 K 4.3246 8.1811 122.4561 56.6441 34.8884 174.1550 50 S 5.3330 8.5413 115.4103 57.5181 64.3836 173.9889 51 T 4.7205 8.7340 120.9351 61.9677 71.1607 174.1518 52 R 4.7091 8.4919 121.2965 55.6345 33.0883 174.5783 53 E 4.9343 7.4080 119.0849 54.3902 32.7292 174.8921 54 F 5.4377 8.7732 121.7761 55.6300 43.1074 174.0450 55 D 4.7732 9.0705 121.1385 53.9943 41.9400 176.4232 56 Q 4.3467 8.6846 121.3219 55.9112 29.3452 176.0906 57 Q 4.0455 7.8891 120.3911 55.4711 29.4842 174.4649 58 P 4.4818 0.0000 0.0000 61.9852 32.1613 176.1487 59 L 4.1550 8.2202 121.3119 53.9554 42.3652 176.3322 60 P 4.4235 0.0000 0.0000 62.1099 33.3055 177.1066 61 L 3.8881 8.5229 121.5800 58.6263 41.8581 179.4265 62 K 3.9105 8.0251 118.7032 59.5401 32.0804 178.3894 63 Q 4.0711 8.0210 119.4355 58.9523 29.1474 177.5256 64 L 3.8585 8.0373 121.4734 58.0952 42.0847 178.8486 65 S 4.0425 8.1430 112.9928 61.5127 62.3215 175.9584 66 E 3.8853 8.1769 121.1797 59.1898 29.1797 179.0299 67 L 3.3092 7.5102 120.2629 58.0593 42.0950 179.1006 68 L 3.5906 7.6696 118.7280 57.2888 41.3194 179.3426 69 W 4.0425 8.2278 128.1453 60.2235 30.4103 177.8397 70 A 3.6021 8.1806 119.8728 55.0069 17.9292 179.2516 71 A 4.1233 7.7707 117.5687 54.6458 18.6800 178.2548 72 A 4.5748 8.0240 115.2602 51.3069 20.8799 176.2639 73 G 3.7788 7.8809 106.6358 44.8553 0.0000 173.1954 74 V 4.4107 8.3494 119.8197 61.9847 31.7821 175.3340 75 N 5.0395 8.6656 124.3819 52.9953 38.0205 175.2234 76 R 4.4865 7.6135 117.5497 54.3310 32.2019 175.5914 77 S 4.0490 9.1540 121.7589 62.0885 62.9491 176.3372 78 L 4.0844 7.7350 121.1652 56.3289 40.5219 178.5331 79 G 4.0061 8.9158 114.0146 43.1402 0.0000 173.3311 80 G 3.8955 7.6532 106.3035 46.2097 0.0000 174.1016 81 G 3.7818 8.0182 106.3797 46.3243 0.0000 173.8734 82 R 5.1579 8.2994 121.9793 54.1634 32.3100 176.5909 83 T 3.8722 8.3334 110.7947 63.7283 69.0108 174.4717 84 A 4.7307 7.6346 123.4564 49.0366 21.7616 173.9009 85 P 4.5348 0.0000 0.0000 62.7313 32.5336 175.9251 86 S 4.5768 8.0069 112.3147 55.7428 65.9667 171.7854 87 P 4.0755 0.0000 0.0000 64.5266 31.2069 176.0747 88 Y 3.2927 8.7536 118.4099 58.4114 35.3846 170.2890 89 G 3.9412 8.2514 106.0324 46.0460 0.0000 173.5393 90 E 4.6397 7.9359 118.4720 53.9938 31.4962 176.0753 91 T 3.9296 8.5627 119.8298 64.5095 68.5958 174.2918 92 V 4.3265 8.4704 119.4349 61.2607 33.7370 175.4878 93 I 5.1085 7.8271 121.1654 59.5162 39.4919 174.5224 94 D 4.9660 9.0773 126.5232 52.6058 43.5114 175.3378 95 V 4.5151 8.2500 122.7998 61.6370 33.5249 174.0577 96 Y 5.0512 9.0211 125.5040 56.1853 41.5497 174.8362 97 V 4.7668 9.2798 121.3881 61.1720 34.7784 174.2627 98 A 4.7840 9.1389 131.3484 51.1288 19.9644 175.9645 99 L 4.9697 8.6491 121.7432 52.5808 45.2849 176.3709 100 P 4.1893 0.0000 0.0000 65.8882 31.3494 178.7722 101 A 4.4705 7.4373 118.3487 52.4843 18.8643 176.9815 102 G 4.4492 6.9044 104.1457 43.5593 0.0000 171.0769 103 L 5.0205 8.1941 123.0943 54.1991 43.3031 174.9991 104 Y 5.1113 9.2689 123.7828 56.1989 41.9413 174.3465 105 R 4.3116 8.8980 123.0572 54.7945 32.1628 174.4333 106 Y 4.7303 8.6720 128.7392 57.1847 39.9636 173.8959 107 D 4.4261 8.4519 127.3917 52.0031 42.1516 175.1808 108 P 3.8440 0.0000 0.0000 65.3653 31.8237 178.3333 109 V 3.6209 7.8057 116.7264 65.8782 31.4171 176.1516 110 H 4.5593 8.2058 113.3912 55.0639 29.8577 174.2657 111 H 4.0285 7.8245 119.4908 56.4986 28.3823 171.6459 112 C 4.9716 6.9209 114.7460 57.3597 34.1562 174.0460 113 L 5.2937 8.7404 118.8587 53.0225 44.0868 175.5998 114 E 5.1303 9.0482 123.5223 54.0283 32.0753 175.3157 115 L 3.3285 8.9758 128.0480 55.7028 42.0280 176.0139 116 K 4.4076 8.9587 127.7382 57.8371 33.6848 176.5122 117 R 4.5272 7.3872 118.6940 54.1466 33.4901 175.0434 118 A 4.2416 8.2009 130.4650 50.4646 17.3919 176.2711 119 A 4.5871 7.1014 124.6710 50.1410 23.0197 175.7362 120 D 4.8745 9.0155 121.0654 53.6317 40.6141 176.4902 121 L 4.7046 8.1980 125.6056 54.3213 42.1059 177.2075 122 R 3.9904 7.9441 118.5159 57.3121 30.3452 174.6098 123 S 3.4168 8.6793 121.9644 58.8481 61.8727 172.2479 *125 T 4.3015 8.2584 115.2991 60.0082 70.5543 175.9359 126 G 3.8948 8.4339 108.9110 45.2911 0.0000 172.0298 127 Y 4.8797 7.5167 116.2336 56.0390 41.0599 175.8122 128 Q 4.0155 8.8609 125.5813 54.9104 27.5664 174.5165 129 D 3.6631 7.7326 121.6810 51.6293 39.7317 177.0792 130 F 3.8076 7.2066 116.2978 58.9307 36.8761 174.7888 131 V 4.2314 7.1574 117.3147 62.1612 32.5399 173.5738 132 G 3.8882 9.6149 118.7554 47.3672 0.0000 175.9421 *134 A 4.1243 9.0922 121.5388 50.7661 19.6314 176.7345 135 P 4.2937 0.0000 0.0000 65.3996 31.8504 176.7564 136 L 4.7410 7.2491 115.0551 54.8570 43.7268 174.0058 137 D 5.4437 8.6304 119.2794 52.5803 44.5362 175.0987 138 L 4.6281 8.9816 122.4331 53.4190 44.0619 175.6942 139 V 4.6729 8.6898 122.8376 61.1559 34.4405 174.1292 140 F 5.0221 9.6307 127.7677 56.3352 40.5237 174.8933 141 V 4.7776 8.8817 125.0604 60.9991 33.6767 174.5198 142 A 4.5857 9.1670 131.1304 51.8267 19.6457 175.9344 143 N 4.9471 9.3392 123.7085 52.8293 38.5150 175.4633 144 H 4.2810 9.3147 123.9075 57.7735 29.1859 177.6775 145 G 3.7632 7.9374 108.3070 48.1007 0.0000 174.2706 146 R 4.3749 7.6427 119.8372 55.8291 29.7995 177.1850 *148 Q 4.2976 7.8396 116.3391 55.6461 31.4980 176.7499 149 E 4.2480 7.7727 119.0050 54.1016 28.3621 173.4782 *151 P 4.1538 0.0000 0.0000 61.4741 33.5557 175.9779 152 P 4.2176 0.0000 0.0000 65.9997 31.1012 178.8676 153 K 4.0202 8.0548 114.3011 58.3801 32.1799 177.8750 154 L 4.2580 7.6699 117.7957 54.5369 42.5647 178.5312 155 R 3.8311 7.7389 119.1802 58.9952 29.9114 178.4727 156 E 3.9241 8.0088 118.5522 59.5963 29.7495 178.7235 157 T 3.9039 7.8137 115.2123 66.7955 68.6239 176.5264 158 F 4.4207 8.4901 120.0170 60.6226 38.9051 178.0210 159 S 4.1887 8.3425 113.7910 61.4030 62.8103 176.3525 160 A 3.9656 8.3228 124.4807 54.7976 18.1350 179.5096 161 A 3.9090 8.4797 119.4855 55.0369 18.1911 179.7718 162 A 3.8440 7.9234 118.2154 55.2925 18.5954 179.3860 163 A 4.0376 8.2023 118.5417 55.1512 18.7408 179.7258 164 G 3.6517 8.3780 104.4055 47.7053 0.0000 176.2280 165 A 3.9348 7.7407 119.5626 52.6392 18.0513 178.9201 *167 A 4.3446 7.9290 125.0853 53.6391 20.8142 179.8509 168 E 4.1405 8.2652 116.3073 59.5862 29.6045 178.5200 169 N 4.3058 8.4189 116.5655 56.4085 38.5479 177.1201 170 A 4.0874 8.0560 121.3522 55.4336 18.4869 178.8617 171 Y 4.2321 8.4530 115.6252 61.5577 37.9924 179.2207 172 L 4.0620 8.3951 119.8165 57.8552 41.7361 178.9286 173 Y 4.0395 8.4499 119.7218 60.9915 38.8000 177.8514 174 C 4.1135 8.7074 117.7691 62.8991 27.8408 176.0172 175 A 4.0761 8.3953 122.6674 55.2518 17.7604 179.8581 176 S 4.1008 8.0877 111.5315 60.9168 63.1294 175.5936 177 A 4.3657 7.5921 121.3333 50.7431 18.9578 177.0136 178 G 3.8194 7.5507 104.1554 46.6672 0.0000 173.8496 179 L 4.8063 8.2606 118.7361 52.7091 44.2856 176.6484 180 G 4.3596 9.2758 108.5442 45.7462 0.0000 172.5497 181 A 5.8473 8.6979 120.6288 51.7594 23.0762 175.9243 182 V 4.8757 8.0779 119.3491 60.3718 34.6700 174.1432 183 V 4.3400 8.9269 126.6191 61.3952 32.6939 175.8398 184 R 4.7764 10.1631 123.4081 54.6898 32.7732 176.2693 185 G 4.1860 9.2464 111.5995 45.5185 0.0000 173.8335 186 W 4.0199 8.3914 119.5353 55.6349 27.3627 174.2533 187 L 5.0711 7.8358 121.1519 52.3228 44.4122 177.3445 188 N 4.7810 9.4642 122.2313 52.8137 38.2970 175.8690 189 R 3.9606 8.3958 127.2073 59.1203 30.4281 178.9065 190 R 3.8852 7.9057 117.3464 59.1954 30.1736 178.7281 191 Q 3.8465 8.0515 119.2318 59.1250 28.8615 178.1159 192 L 3.9707 7.7798 119.9201 57.9621 42.4344 178.2512 193 A 4.0528 8.2636 121.1504 55.1092 18.0562 179.1868 194 E 3.8671 7.8778 116.5922 59.5556 29.8450 180.5290 195 H 4.4137 7.6001 114.8024 55.5569 29.0903 175.8503 *197 S 4.2810 8.0414 113.7869 58.2985 64.1946 174.5557 198 L 4.2262 7.6107 119.2253 54.2151 42.4211 177.2833 199 N 4.5778 8.4778 120.1962 53.5259 39.1435 176.9777 200 E 3.9986 8.8051 116.4257 58.8054 29.9546 178.5837 201 D 4.9537 8.0330 116.3596 53.1221 39.8914 174.8942 202 E 5.2774 8.0065 118.4698 55.2221 32.6936 175.2401 203 E 4.7328 9.0499 124.5180 53.6675 33.2961 172.5389 204 P 4.9049 0.0000 0.0000 63.1968 31.3792 175.9208 205 I 4.5058 8.9493 116.9587 61.3152 40.0674 175.8111 206 L 5.1178 7.9467 120.6142 53.0069 46.0482 175.3185 207 S 5.2896 9.5763 116.4430 56.6759 65.8985 172.6806 208 Q 4.8771 9.4550 126.0540 54.9307 32.2770 173.6366 209 T 4.9207 8.4993 123.9598 61.9023 70.4478 174.2039 210 I 4.9690 8.2706 126.4037 59.2818 42.0130 174.8783 211 G 4.0333 8.3508 111.9088 45.9124 0.0000 172.2868 212 R 4.5996 8.0944 118.3611 55.9108 31.1364 176.8282 213 A 4.4689 8.6505 124.2544 51.6339 19.2285 177.2747 214 A 3.8458 8.3654 123.1815 52.5439 18.6430 178.0158 215 S 4.1307 9.1231 120.8697 61.2136 63.7587 174.9691 *216 H 4.5003 7.8714 121.4822 54.6967 27.9164 177.1726 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 7 L 8.17 4.31 0.00 1.70 1.85 0.87 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.05 0.00 2.30 2.06 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 Y 8.29 4.38 0.00 2.63 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 10 E 8.67 4.87 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 11 P 0.00 4.27 0.00 1.81 1.59 0.00 3.78 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 1.92 1.93 0.00 12 V 8.36 4.26 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 0.68 0.00 0.00 0.81 0.00 0.00 13 K 8.46 4.15 0.00 1.81 1.63 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.01 7.81 14 G 8.35 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 15 L 8.00 4.41 0.00 1.56 1.55 0.90 1.03 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 16 L 8.22 4.29 0.00 1.65 1.55 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.47 0.00 2.01 1.92 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 18 R 8.34 4.45 0.00 1.78 1.87 0.00 3.11 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 19 P 0.00 4.75 0.00 2.07 2.04 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 20 A 8.54 4.37 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 21 V 8.99 4.12 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 0.97 0.00 0.00 0.94 0.00 0.00 22 G 8.47 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.49 4.05 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 24 S 8.22 3.83 0.00 4.02 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 25 E 7.89 4.20 0.00 2.12 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 2.32 2.40 0.00 26 R 8.68 4.18 0.00 1.79 2.04 0.00 3.22 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 27 V 7.68 4.96 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 0.87 0.00 0.00 0.95 0.00 0.00 28 I 8.77 4.39 1.68 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.80 0.00 0.00 29 T 8.54 4.47 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 30 L 7.79 4.86 0.00 1.58 1.49 0.94 0.96 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 31 P 0.00 4.38 0.00 2.16 2.05 0.00 3.77 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 1.99 1.95 0.00 32 E 8.57 4.01 0.00 2.04 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 2.24 2.23 0.00 33 P 0.00 4.04 0.00 0.86 1.24 0.00 3.54 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 34 D 8.07 4.58 0.00 2.63 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 35 R 7.69 4.08 0.00 1.73 1.88 0.00 3.16 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 36 T 8.46 4.47 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 37 S 8.39 4.59 0.00 3.99 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 38 G 8.18 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 *40 P 0.00 4.21 0.00 2.26 2.06 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 41 L 8.51 3.69 0.00 1.75 1.68 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 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3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 118 A 8.20 4.24 1.22 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 0.00 0.00 119 A 7.10 4.59 1.22 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 0.00 0.00 120 D 9.02 4.87 0.00 2.90 2.68 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 0.00 121 L 8.20 4.70 0.00 1.64 1.61 0.92 0.94 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 0.00 122 R 7.94 3.99 0.00 1.81 1.83 0.00 3.45 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 123 S 8.68 3.42 0.00 4.00 3.87 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 *125 T 8.26 4.30 4.56 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 1.27 0.00 0.00 126 G 8.43 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 0.00 0.00 0.00 0.00 127 Y 7.52 4.88 0.00 3.04 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 0.00 128 Q 8.86 4.02 0.00 1.73 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.08 0.00 0.00 0.00 0.00 0.00 1.97 1.18 0.00 129 D 7.73 3.66 0.00 1.72 1.54 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 0.00 130 F 7.21 3.81 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.16 4.23 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 0.92 0.00 0.00 1.04 0.00 0.00 132 G 9.61 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 0.00 0.00 0.00 0.00 *134 A 9.09 4.12 0.46 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 0.00 0.00 135 P 0.00 4.29 0.00 2.01 2.11 0.00 3.66 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 2.21 0.00 136 L 7.25 4.74 0.00 1.87 1.67 0.85 0.85 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 0.00 137 D 8.63 5.44 0.00 2.59 2.53 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 0.00 138 L 8.98 4.63 0.00 1.38 1.02 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.69 4.67 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 1.05 0.00 0.00 0.92 0.00 0.00 140 F 9.63 5.02 0.00 3.08 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 0.00 141 V 8.88 4.78 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 1.01 0.00 0.00 0.90 0.00 0.00 142 A 9.17 4.59 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 0.00 143 N 9.34 4.95 0.00 2.94 2.78 0.00 0.00 6.79 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 9.31 4.28 0.00 3.38 3.38 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.94 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 0.00 146 R 7.64 4.37 0.00 1.86 1.96 0.00 3.22 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 *148 Q 7.84 4.30 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.42 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 149 E 7.77 4.25 0.00 1.84 1.82 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 2.20 2.27 0.00 *151 P 0.00 4.15 0.00 2.12 1.98 0.00 3.59 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 2.11 0.00 152 P 0.00 4.22 0.00 2.12 2.11 0.00 3.58 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 2.10 2.19 0.00 153 K 8.05 4.02 0.00 1.66 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.51 7.81 154 L 7.67 4.26 0.00 1.29 0.25 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.74 3.83 0.00 1.86 1.92 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 156 E 8.01 3.92 0.00 2.08 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 2.36 2.46 0.00 157 T 7.81 3.90 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 1.36 0.00 0.00 158 F 8.49 4.42 0.00 3.02 3.09 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 0.00 159 S 8.34 4.19 0.00 4.11 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 0.00 160 A 8.32 3.97 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 0.00 161 A 8.48 3.91 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 0.00 162 A 7.92 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.20 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.38 3.65 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 0.00 0.00 0.00 165 A 7.74 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *167 A 7.93 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.27 4.14 0.00 2.26 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 2.29 2.41 0.00 169 N 8.42 4.31 0.00 2.76 2.93 0.00 0.00 6.96 8.12 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 0.00 170 A 8.06 4.09 1.46 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 0.00 0.00 171 Y 8.45 4.23 0.00 3.20 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 0.00 172 L 8.40 4.06 0.00 1.94 1.79 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 173 Y 8.45 4.04 0.00 3.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 C 8.71 4.11 0.00 3.29 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.40 4.08 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 176 S 8.09 4.10 0.00 3.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 A 7.59 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 7.55 3.82 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 0.00 0.00 0.00 179 L 8.26 4.81 0.00 1.55 1.68 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 180 G 9.28 4.36 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 0.00 181 A 8.70 5.85 1.09 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 0.00 182 V 8.08 4.88 2.43 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 0.97 0.00 0.00 1.09 0.00 0.00 183 V 8.93 4.34 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 0.91 0.00 0.00 0.96 0.00 0.00 184 R 10.16 4.78 0.00 1.65 1.94 0.00 3.13 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 185 G 9.25 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 W 8.39 4.02 0.00 3.30 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 0.00 187 L 7.84 5.07 0.00 1.65 1.63 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 188 N 9.46 4.78 0.00 2.72 2.77 0.00 0.00 6.94 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.40 3.96 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 190 R 7.91 3.89 0.00 1.94 1.96 0.00 3.25 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.25 0.00 191 Q 8.05 3.85 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 192 L 7.78 3.97 0.00 1.71 1.79 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.26 4.05 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 0.00 194 E 7.88 3.87 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 195 H 7.60 4.41 0.00 3.32 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *197 S 8.04 4.28 0.00 3.85 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 0.00 198 L 7.61 4.23 0.00 1.60 1.56 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 199 N 8.48 4.58 0.00 2.79 2.74 0.00 0.00 7.36 7.54 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 0.00 200 E 8.81 4.00 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.89 0.00 201 D 8.03 4.95 0.00 2.84 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.01 5.28 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 203 E 9.05 4.73 0.00 2.01 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 2.22 2.25 0.00 204 P 0.00 4.90 0.00 2.15 2.04 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 205 I 8.95 4.51 1.90 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 1.46 0.79 1.03 0.00 0.00 206 L 7.95 5.12 0.00 1.68 1.61 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 207 S 9.58 5.29 0.00 3.88 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 0.00 208 Q 9.45 4.88 0.00 2.31 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 209 T 8.50 4.92 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 0.87 0.00 0.00 210 I 8.27 4.97 1.80 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 1.14 0.92 0.98 0.00 0.00 211 G 8.35 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 R 8.09 4.60 0.00 1.86 1.92 0.00 3.13 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 213 A 8.65 4.47 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 0.00 214 A 8.37 3.85 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 0.00 215 S 9.12 4.13 0.00 3.88 3.87 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 *216 H 7.87 4.50 0.00 2.92 2.82 0.00 7.23 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 * Residues marked with a * may have inaccurate shift predictions.