NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4688 8.3344 116.7973 58.7279 65.0711 174.4593 -1 N 4.2295 8.1925 120.3698 56.2642 39.9548 174.2553 0 A 4.1164 7.8841 120.6504 52.7164 20.5239 178.7469 0 S 4.2664 7.9541 112.5504 58.5164 65.2239 175.5469 3 E 3.9731 7.8545 117.5113 59.4849 29.5087 178.5483 4 F 4.2956 8.3585 119.2319 61.4974 39.6731 177.2961 5 I 3.5015 7.7395 117.4059 62.2700 36.0691 176.8639 *7 N 4.7549 8.1026 115.6427 52.8862 39.9415 174.1334 8 N 4.9506 7.6037 115.1576 52.4450 39.8096 175.9146 9 L 4.2074 7.7173 119.0297 55.9140 42.4302 177.7043 10 E 3.8069 7.9611 119.3135 59.2926 29.5277 178.2657 11 Q 3.9436 7.9628 118.7683 59.7577 29.1520 178.4166 12 T 3.7625 7.7602 115.7823 66.5656 68.3273 176.3656 13 A 3.6699 7.8926 122.6454 54.8362 18.3566 180.0186 14 R 3.8853 7.9111 116.8753 59.2112 30.1733 179.0373 15 R 3.9109 8.1516 118.5175 59.3504 30.0782 178.2309 16 W 4.4607 8.4095 118.6915 60.1423 29.0722 178.2796 17 L 4.0869 7.8915 118.3988 58.1381 41.2295 179.3983 18 E 4.2890 8.0847 120.1514 58.6952 29.4177 178.0736 19 E 4.3327 8.6087 116.6175 57.5536 29.7195 177.9305 20 R 4.6246 7.6939 116.6806 55.3973 31.3745 176.3744 21 G 4.1343 7.9848 106.7518 45.0991 0.0000 174.0522 22 V 4.1303 8.3730 121.2249 61.9369 32.6840 174.5791 23 T 4.6613 8.2218 123.2747 61.5005 70.7550 175.3061 24 V 3.6113 8.6231 125.0647 66.5060 31.1882 177.9989 25 E 3.9444 8.1100 118.3372 59.2014 29.4191 178.7575 26 K 4.8200 7.7926 118.6057 58.5027 32.2546 179.3497 27 I 3.9100 7.7199 119.9429 64.3695 37.2760 178.0439 28 A 4.0450 8.2278 121.4123 55.0363 17.9577 179.5130 29 E 4.0438 8.4334 117.6361 59.5394 29.3707 179.4248 30 L 4.0737 8.2223 119.4612 57.5749 41.6287 179.6476 31 V 3.7172 7.7255 118.0590 66.0573 31.5623 177.3209 32 Y 4.0846 8.2864 119.5303 60.7784 38.4181 177.1638 33 Y 4.2275 7.9297 119.7453 60.5964 38.9058 177.7670 34 L 4.4453 7.8446 118.5566 57.1265 42.0947 178.3685 35 Q 4.4012 8.4716 116.2572 56.5010 28.9158 177.3428 36 S 3.4606 8.3788 115.7269 60.9421 62.0332 176.0124 37 K 4.1948 7.7002 120.7866 59.9694 31.9391 177.5983 38 Y 4.0379 7.5947 112.4616 59.3256 38.0350 176.2219 39 H 4.7305 9.1155 119.5263 53.5932 30.7718 172.3428 40 P 4.1749 0.0000 0.0000 65.6421 31.3459 178.4379 41 D 4.4471 8.1075 117.3281 54.3437 39.3669 176.2847 42 L 3.9697 7.1855 121.6809 56.1179 43.4072 176.6651 43 T 4.6759 8.2853 116.2892 61.5269 69.2617 176.0747 *45 E 4.2709 8.6736 115.1564 56.3710 31.4688 177.3516 46 E 3.9376 8.7411 119.4212 59.5765 29.5859 178.7991 47 C 4.1784 8.0670 116.0430 62.9608 28.3169 175.7796 48 I 3.6650 7.8691 120.9323 64.6604 36.5881 177.2723 49 E 3.8747 8.2459 119.6533 59.6542 29.3286 178.5791 50 N 4.2063 7.7447 114.6910 56.4676 38.7816 177.2962 51 V 3.5901 8.1828 119.7696 66.4781 31.4976 177.8320 52 N 4.3796 8.7627 116.2418 56.0725 38.0895 177.3396 53 R 3.8828 7.9227 119.7115 59.5143 30.5863 178.4385 54 V 3.9748 7.9962 118.0175 66.2685 31.3477 178.1081 55 I 3.8477 7.6134 118.3980 63.9420 36.9995 177.9256 56 S 4.6686 7.8223 114.7621 58.2364 63.3449 174.1793 57 K 4.3200 7.5720 123.9922 55.5451 33.0734 177.5376 58 R 4.6099 8.7465 124.7943 58.9806 29.9286 178.4059 59 E 3.6388 8.2549 118.3196 59.6807 29.2951 178.9907 60 V 3.6751 7.6596 117.3660 65.5951 31.6947 177.9843 61 Q 3.9727 8.0561 117.9058 59.1521 28.4697 178.0508 62 N 4.1500 8.8608 118.2621 56.5366 38.4500 177.3153 63 A 4.0096 7.6692 121.6830 55.2851 18.7005 179.5326 64 I 3.6615 8.3645 118.9788 64.7401 37.1858 178.5193 65 L 3.7368 8.6512 120.4089 57.9906 41.5872 179.3356 66 T 3.9509 7.7166 115.5130 66.9880 68.4604 176.4201 67 G 3.3534 8.2719 107.4190 48.0602 0.0000 175.5019 68 I 4.0228 8.0012 121.9910 62.2843 37.1663 178.3809 69 Q 3.9318 7.9739 121.6030 59.1876 28.9936 177.7586 70 L 3.9303 7.5056 119.4427 57.9295 41.4269 179.0145 71 D 4.5170 7.7568 117.6647 57.5670 41.0495 179.2602 72 K 4.0660 7.5859 117.1959 59.5345 32.1790 179.2390 73 L 4.0183 7.7907 118.8904 58.0366 41.3401 179.5303 74 A 4.0227 8.1388 119.3609 54.3301 18.3857 178.6072 75 E 4.1937 8.4206 117.5050 57.9382 29.8405 177.0712 76 D 4.9036 7.8142 116.7909 52.9688 41.5981 175.9169 77 G 4.6577 7.9978 105.1139 46.6252 0.0000 175.1398 78 R 4.1108 7.9862 118.4554 57.3315 30.3980 177.3247 79 L 4.2439 7.7356 118.1365 54.0672 42.6265 176.6026 80 D 4.5641 8.4740 121.7881 54.4634 41.5824 175.3298 81 E 4.8302 8.2748 120.4895 54.4725 31.5468 174.7072 82 P 4.5574 0.0000 0.0000 63.4155 32.1743 178.0813 83 L 3.8598 7.9949 120.6605 58.5790 41.5541 178.0753 84 Q 3.8482 8.5940 119.1860 60.0108 28.7937 179.1268 85 S 4.0752 8.5730 113.7791 61.5400 63.1526 176.3744 86 I 3.5454 7.4373 123.2715 64.1710 36.6598 178.5142 87 I 3.3893 7.5276 119.2149 64.2256 36.9955 178.2136 88 R 4.0068 8.2303 118.8219 59.5485 29.9755 178.5544 89 R 3.9222 8.4388 117.2871 56.5760 31.3803 175.8086 90 D 4.2469 7.6239 116.8380 54.6631 39.5123 172.7515 91 E 4.4512 7.5029 119.3095 54.8207 31.6060 178.4771 92 G 3.7574 8.6795 110.1611 48.0782 0.0000 174.1205 93 L 4.2316 7.2199 118.8033 55.5795 42.1925 176.0107 94 Y 4.4690 8.1162 121.2320 56.7991 39.0070 175.4416 95 G 3.7641 8.0463 113.2459 45.5471 0.0000 175.0585 96 V 3.4329 6.8897 120.2936 66.1763 31.0052 177.1342 97 D 4.2841 7.3157 116.1748 54.9793 39.4787 176.9319 98 E 4.5122 9.3786 119.5807 57.4373 30.5801 178.0892 99 I 3.7086 7.4232 119.0454 63.9966 37.3990 177.9059 100 L 4.1261 8.1136 119.7427 57.8230 41.5746 179.2865 101 A 3.9379 8.0193 120.1701 55.0156 18.1077 179.3081 102 L 3.6811 7.5068 119.2818 58.1651 41.9483 179.3115 103 S 3.8475 7.5875 113.2443 61.1324 63.0853 176.4983 104 I 3.8964 7.4432 123.2176 64.2974 37.3085 177.9668 105 V 3.6817 7.7357 119.0118 66.3701 31.2725 177.7820 106 N 4.4174 9.1816 116.7078 56.1488 38.0964 177.1659 107 V 3.5131 7.2241 118.9124 65.4305 31.4260 176.1476 108 Y 4.2712 7.6085 112.3676 57.2398 38.4075 174.9334 109 G 3.8498 8.4994 107.8418 44.1167 0.0000 175.4569 110 S 2.7900 8.3009 112.7345 60.4434 63.1858 176.5334 111 I 3.4995 7.7675 121.1547 64.5380 37.0899 177.5300 112 G 3.8743 7.6593 103.2584 45.4955 0.0000 175.3832 113 F 4.6722 8.0328 121.2672 61.0304 38.9974 177.1521 114 T 3.9541 8.1356 111.9457 65.6151 67.2302 175.5385 115 N 4.4849 8.3460 117.6882 56.5352 38.5912 176.3680 116 Y 4.2731 8.1909 120.9166 60.8536 38.8513 178.4048 117 G 3.4533 8.2525 106.0352 47.6362 0.0000 174.7307 118 Y 4.2348 8.2563 122.0822 60.7080 38.8477 178.0489 119 I 3.6143 7.8343 112.2652 62.3284 37.7426 176.9282 120 D 4.1494 7.3194 119.1535 56.2242 41.0291 177.6199 121 K 4.1350 7.2044 118.2467 58.9659 32.7861 178.7012 122 Q 3.8383 7.8062 115.1949 57.3319 29.4787 177.0525 123 K 3.9821 7.3407 120.4311 56.7384 29.6451 172.5238 124 P 4.3712 0.0000 0.0000 62.7759 33.5066 178.5376 125 G 3.6463 8.4054 107.0130 46.1682 0.0000 175.7108 126 I 3.7476 8.6271 112.8897 64.5907 37.0470 177.8136 127 L 3.9212 8.0444 119.9518 57.7025 41.0548 179.0254 128 Q 3.9343 8.3663 119.6086 59.6342 28.7425 178.2204 129 Y 4.2138 8.2799 119.1032 60.7721 38.9321 176.9980 130 L 3.5833 7.6955 118.3444 57.0587 42.0008 177.4407 131 N 4.3759 8.1323 116.0235 54.5670 39.2347 174.4015 132 D 4.3278 7.3198 117.8543 54.7560 41.1657 175.9709 133 K 4.2753 8.5453 125.7058 57.1663 32.9895 178.0863 134 S 4.3351 7.9463 114.7833 60.8693 63.5682 176.1978 135 T 3.9035 7.9568 110.8680 62.9683 68.3497 175.3476 136 G 3.9808 7.9787 109.8976 45.3425 0.0000 173.9987 137 K 4.3019 7.2934 118.9288 55.6780 32.8828 175.9815 138 C 4.4443 8.5845 123.9308 58.6547 31.6105 173.1669 139 N 5.1508 8.3406 126.6845 52.7388 39.3527 177.0605 140 T 3.8218 8.5704 115.6354 67.1999 68.8405 175.2635 141 F 4.3513 8.5922 118.9530 60.3559 39.2588 177.5823 142 L 4.0730 8.8494 120.7161 58.4779 41.4446 178.5228 143 D 4.6102 8.0413 117.2395 55.2459 39.2992 177.8505 144 D 4.4108 8.1747 121.4473 57.1148 41.3219 178.6126 145 I 3.8935 7.7806 113.0855 63.8079 37.7887 178.2635 146 V 3.7707 8.4793 120.8860 65.8084 31.3559 178.3029 147 G 3.6473 7.9011 105.1193 47.4618 0.0000 175.6577 148 A 4.2525 8.6282 123.5280 55.2108 18.4253 179.4545 149 I 3.6791 8.4435 118.3617 64.7024 37.2326 178.2870 150 A 4.0082 8.0568 120.8949 55.1638 18.1274 179.3575 151 A 3.9751 8.2533 118.8357 55.5705 18.5293 179.7057 152 A 4.0307 8.6035 119.2667 55.3448 18.4392 179.7354 153 A 3.7467 8.3116 119.5295 55.2516 18.4357 179.8550 154 S 4.1120 8.0276 111.8153 61.3211 62.3956 176.2824 155 S 4.0463 8.2791 116.3897 61.3464 61.9202 176.2144 156 R 3.7103 7.6109 120.4175 58.9310 29.9520 177.7397 157 L 3.9833 8.1152 120.3321 58.0742 41.7209 178.6965 158 A 3.8999 8.2877 120.8299 55.7769 18.1608 179.3082 159 H 3.8410 8.0253 112.9138 58.6312 28.7234 177.7659 160 R 4.0572 7.6840 119.7141 58.9751 30.2478 175.8582 161 A 4.1517 7.2091 124.1731 52.7019 18.3471 176.9607 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 S 8.33 4.47 0.00 3.88 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 -1 N 8.19 4.23 0.00 2.81 2.81 0.00 0.00 6.78 7.27 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 A 7.88 4.12 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 0 S 7.95 4.27 0.00 3.71 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 7.85 3.97 0.00 2.08 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 2.51 0.00 4 F 8.36 4.30 0.00 2.96 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 5 I 7.74 3.50 1.99 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 1.51 1.12 0.86 0.00 0.00 *7 N 8.10 4.75 0.00 2.69 2.83 0.00 0.00 6.87 8.00 0.00 0.00 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 N 7.60 4.95 0.00 2.13 2.43 0.00 0.00 6.85 8.87 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 9 L 7.72 4.21 0.00 1.75 1.51 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.96 3.81 0.00 1.97 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 2.34 2.51 0.00 11 Q 7.96 3.94 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 12 T 7.76 3.76 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 0.67 0.00 0.00 13 A 7.89 3.67 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 14 R 7.91 3.89 0.00 2.08 2.00 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 15 R 8.15 3.91 0.00 2.07 2.24 0.00 3.21 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.75 0.00 16 W 8.41 4.46 0.00 3.32 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.89 4.09 0.00 1.93 1.96 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.08 4.29 0.00 2.16 2.22 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 2.34 2.29 0.00 19 E 8.61 4.33 0.00 2.15 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 2.36 2.51 0.00 20 R 7.69 4.62 0.00 1.80 1.99 0.00 3.30 0.00 0.00 3.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 21 G 7.98 4.13 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 0.00 0.00 0.00 22 V 8.37 4.13 2.24 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 1.02 0.00 0.00 1.03 0.00 0.00 23 T 8.22 4.66 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 1.29 0.00 0.00 24 V 8.62 3.61 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 1.11 0.00 0.00 1.00 0.00 0.00 25 E 8.11 3.94 0.00 2.12 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 0.00 2.37 2.46 0.00 26 K 7.79 4.82 0.00 1.82 1.89 0.00 1.73 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.32 7.81 27 I 7.72 3.91 2.09 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 1.62 0.95 0.95 0.00 0.00 28 A 8.23 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.43 4.04 0.00 2.25 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 2.33 2.66 0.00 30 L 8.22 4.07 0.00 1.93 1.71 0.92 0.99 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 31 V 7.73 3.72 2.31 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 1.07 0.00 0.00 1.11 0.00 0.00 32 Y 8.29 4.08 0.00 3.18 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.93 4.23 0.00 3.07 3.13 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 34 L 7.84 4.45 0.00 1.74 1.81 1.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.47 4.40 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 36 S 8.38 3.46 0.00 3.69 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 37 K 7.70 4.19 0.00 1.77 1.51 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.42 7.81 38 Y 7.59 4.04 0.00 2.61 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 39 H 9.12 4.73 0.00 3.11 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.89 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 4.17 0.00 2.18 2.15 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 41 D 8.11 4.45 0.00 2.83 2.88 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 0.00 0.00 0.00 42 L 7.19 3.97 0.00 1.60 1.67 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.29 4.68 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 1.31 0.00 0.00 *45 E 8.67 4.27 0.00 2.14 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 0.00 2.30 2.37 0.00 46 E 8.74 3.94 0.00 2.05 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 2.31 2.41 0.00 47 C 8.07 4.18 0.00 3.13 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 48 I 7.87 3.66 2.03 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 1.54 0.56 0.92 0.00 0.00 49 E 8.25 3.87 0.00 2.27 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 0.00 2.32 2.52 0.00 50 N 7.74 4.21 0.00 2.99 2.87 0.00 0.00 6.74 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 51 V 8.18 3.59 2.22 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 1.12 0.00 0.00 1.04 0.00 0.00 52 N 8.76 4.38 0.00 2.94 2.86 0.00 0.00 6.68 7.61 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 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0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.45 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 62 N 8.86 4.15 0.00 2.87 2.86 0.00 0.00 7.03 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.67 4.01 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 64 I 8.36 3.66 1.90 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 1.55 0.92 0.94 0.00 0.00 65 L 8.65 3.74 0.00 1.48 1.48 0.54 -1.16 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 66 T 7.72 3.95 4.17 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 0.00 0.00 0.00 1.11 0.00 0.00 67 G 8.27 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.00 4.02 2.31 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.94 0.00 0.00 69 Q 7.97 3.93 0.00 2.51 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 70 L 7.51 3.93 0.00 1.30 1.72 0.50 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.76 4.52 0.00 2.84 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 72 K 7.59 4.07 0.00 1.92 1.73 0.00 1.30 0.00 0.00 1.41 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.44 7.81 73 L 7.79 4.02 0.00 1.74 1.72 0.94 0.77 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 74 A 8.14 4.02 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 75 E 8.42 4.19 0.00 2.06 2.15 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 2.28 2.33 0.00 76 D 7.81 4.90 0.00 2.65 2.62 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 77 G 8.00 4.66 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 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0.00 103 S 7.59 3.85 0.00 3.99 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 0.00 104 I 7.44 3.90 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.04 0.96 0.00 0.00 105 V 7.74 3.68 2.30 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 1.26 0.00 0.00 0.74 0.00 0.00 106 N 9.18 4.42 0.00 2.90 2.88 0.00 0.00 6.62 6.91 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 0.00 107 V 7.22 3.51 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 0.44 0.00 0.00 0.89 0.00 0.00 108 Y 7.61 4.27 0.00 3.07 2.98 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 0.00 109 G 8.50 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 0.00 110 S 8.30 2.79 0.00 3.62 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.77 3.50 1.79 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 1.25 0.32 0.81 0.00 0.00 112 G 7.66 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 0.00 0.00 0.00 113 F 8.03 4.67 0.00 3.13 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 0.00 114 T 8.14 3.95 4.31 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 1.28 0.00 0.00 115 N 8.35 4.48 0.00 2.87 3.00 0.00 0.00 6.68 7.48 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 0.00 116 Y 8.19 4.27 0.00 3.19 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 0.00 117 G 8.25 3.45 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 0.00 118 Y 8.26 4.23 0.00 3.11 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 0.00 119 I 7.83 3.61 1.66 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.91 0.68 0.00 0.00 120 D 7.32 4.15 0.00 2.12 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 0.00 121 K 7.20 4.13 0.00 1.73 1.74 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.57 7.81 122 Q 7.81 3.84 0.00 1.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 1.96 1.71 0.00 123 K 7.34 3.98 0.00 1.69 2.02 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.32 1.40 7.81 124 P 0.00 4.37 0.00 1.73 1.72 0.00 3.72 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.00 125 G 8.41 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 0.00 126 I 8.63 3.75 1.95 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 1.67 0.73 1.02 0.00 0.00 127 L 8.04 3.92 0.00 1.85 1.73 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.37 3.93 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 129 Y 8.28 4.21 0.00 2.89 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 0.00 130 L 7.70 3.58 0.00 1.57 1.59 1.04 1.01 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 0.00 131 N 8.13 4.38 0.00 2.70 2.78 0.00 0.00 7.15 8.58 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 0.00 132 D 7.32 4.33 0.00 2.92 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 0.00 133 K 8.55 4.28 0.00 1.76 1.81 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.57 7.81 134 S 7.95 4.34 0.00 4.01 4.12 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 0.00 135 T 7.96 3.90 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 1.42 0.00 0.00 136 G 7.98 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 0.00 137 K 7.29 4.30 0.00 1.72 1.72 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.42 7.81 138 C 8.58 4.44 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.34 5.15 0.00 2.87 2.69 0.00 0.00 7.06 7.05 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 0.00 140 T 8.57 3.82 4.43 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 0.93 0.00 0.00 141 F 8.59 4.35 0.00 3.35 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 0.00 142 L 8.85 4.07 0.00 1.81 1.74 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.04 4.61 0.00 2.84 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 0.00 144 D 8.17 4.41 0.00 3.09 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 0.00 145 I 7.78 3.89 1.94 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 1.85 0.91 1.02 0.00 0.00 146 V 8.48 3.77 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 1.04 0.00 0.00 1.06 0.00 0.00 147 G 7.90 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 0.00 148 A 8.63 4.25 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 0.00 149 I 8.44 3.68 1.96 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 1.51 0.87 0.96 0.00 0.00 150 A 8.06 4.01 1.47 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 0.00 0.00 151 A 8.25 3.98 1.66 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 0.00 152 A 8.60 4.03 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 0.00 153 A 8.31 3.75 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 0.00 154 S 8.03 4.11 0.00 4.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.28 4.05 0.00 4.04 4.09 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 0.00 156 R 7.61 3.71 0.00 0.67 1.45 0.00 2.49 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.32 0.00 157 L 8.12 3.98 0.00 1.71 1.84 0.82 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.29 3.90 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 0.00 159 H 8.03 3.84 0.00 3.30 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.68 4.06 0.00 1.81 2.11 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 161 A 7.21 4.15 1.27 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 * Residues marked with a * may have inaccurate shift predictions.