NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0921 8.0393 120.3136 61.9652 32.0163 175.4576 3 Q 4.1034 8.2471 132.0127 55.2122 27.9493 174.9438 4 A 4.4578 8.3714 125.6217 55.2880 21.0626 180.0695 5 Q 4.0868 7.8693 114.9096 58.2402 28.9036 178.3734 6 T 3.9768 7.8657 114.0883 64.2783 67.3883 175.9921 7 R 3.6622 8.0811 121.1715 59.6579 29.9724 178.1232 8 D 4.4715 7.5898 118.5697 57.0476 40.6837 178.5104 9 Q 3.9704 7.8681 120.0676 58.3348 28.9421 177.4144 10 I 4.0370 7.6849 113.7663 62.7533 38.0714 178.1837 11 V 3.2702 7.6320 119.7463 65.6836 31.4064 177.6234 12 A 4.0337 7.7465 120.3002 54.6629 18.1580 179.5643 13 A 3.8489 7.5127 117.9351 55.0344 18.2648 179.6338 14 A 3.2479 8.3101 119.7709 55.4948 18.2886 178.6767 15 D 4.1716 8.0653 116.0605 58.1348 41.1109 178.2894 16 E 3.9309 8.4487 118.8227 59.4641 29.7644 179.3620 17 L 3.9664 8.2388 119.0041 57.9932 41.8783 179.6114 18 F 4.9023 9.5526 119.0787 60.0349 38.5143 177.2710 19 Y 4.3405 8.2069 118.9911 60.8948 38.8544 177.7110 20 R 2.9190 7.5612 115.9208 56.8442 30.4137 177.1041 21 Q 4.4244 8.3809 116.1217 54.7568 31.0633 177.1028 22 G 4.1044 8.0815 102.3390 45.5701 0.0000 174.3755 23 F 3.4348 9.4593 122.4573 60.7245 39.5438 178.0003 24 A 3.3872 7.8077 121.8175 54.6793 18.1867 178.0582 25 Q 4.3161 7.8524 112.2115 56.1939 29.0000 175.2455 26 T 4.6931 7.3138 115.6589 62.0978 70.2089 175.0432 27 S 4.7701 9.0944 121.3537 56.5991 66.6965 175.5286 28 F 4.3176 8.4713 120.3278 60.3800 38.4546 178.0768 29 V 3.6404 7.8044 118.3831 65.3895 31.1661 177.4524 30 D 4.5652 8.6302 120.0393 57.3495 40.4034 179.4029 31 I 3.6972 8.0241 119.5870 64.6561 37.3550 178.9437 32 S 4.3550 8.6844 115.5181 61.0254 62.8894 176.2820 33 A 3.9619 8.8405 125.8336 55.0492 17.8196 179.0029 34 A 3.9946 7.6935 118.3192 55.5080 18.6462 179.7337 35 V 4.0245 7.6317 107.7765 60.4542 32.4196 175.4129 36 G 3.8691 7.4678 109.8822 45.5481 0.0000 172.7847 37 I 4.5760 8.1743 117.4010 57.6754 40.8601 176.0838 38 S 4.3752 8.4734 117.6413 58.2961 64.9383 175.5311 39 R 3.8045 8.5553 118.9319 58.9058 28.7346 178.6348 40 G 4.1642 8.1122 105.4987 46.5342 0.0000 174.7416 41 N 4.5368 8.0219 117.7420 55.0839 39.3473 176.1924 42 F 4.3720 8.2570 122.2062 61.1927 39.7671 177.0605 43 Y 5.0083 8.2601 115.9008 59.8541 37.7421 177.3224 44 Y 4.3193 7.6472 118.1903 59.8167 38.7799 175.0944 45 H 4.3131 8.1615 113.6655 56.4963 32.0561 172.7824 46 F 5.0403 7.6013 116.7499 55.8674 41.1461 176.6290 47 K 4.9283 9.1321 122.7881 56.8671 33.6311 176.3445 48 T 5.0497 7.9504 107.8336 58.7663 72.1858 174.9236 49 K 4.5251 8.9730 122.3113 60.1891 32.1969 179.2849 50 D 4.5807 8.5932 118.5156 57.5098 40.3960 178.7848 51 E 4.2042 8.2623 119.0483 59.5281 29.4967 179.3749 52 I 2.9320 7.6017 119.4204 63.7207 37.1671 177.9139 53 L 4.0721 8.5102 121.4591 58.2495 41.9064 178.6256 54 A 3.9909 7.8998 120.5253 55.6917 18.2843 179.5728 55 E 4.0274 7.8187 115.2955 59.1390 29.3997 179.8576 56 V 3.5228 7.8855 118.6585 66.0370 31.6800 178.1472 57 I 3.6078 7.8890 119.6370 64.3060 37.0383 178.3380 58 R 3.8525 7.9729 118.8933 59.3138 29.9649 178.5510 59 L 3.8873 7.8369 119.5708 58.3780 42.0751 179.1702 60 R 3.8203 8.6034 118.2629 59.2965 30.0258 178.9238 61 L 3.8787 8.3376 118.7586 57.7974 41.6730 179.3264 62 A 3.8556 7.8503 120.0281 55.8467 18.1437 179.2717 63 R 3.5194 7.6935 113.6667 59.9706 30.2116 178.5054 64 T 3.6342 7.9364 116.5902 67.0545 69.0697 175.6643 65 A 3.8293 7.6051 121.9062 55.4324 17.7472 179.8533 66 Q 3.7002 7.6107 115.0073 57.0165 29.6332 178.6748 *68 L 3.1865 7.8711 118.6326 53.5655 43.5455 178.5302 69 A 4.5086 7.5237 119.1122 53.7900 18.8279 178.8564 70 D 4.5219 9.0825 118.0624 56.4229 41.3742 178.5821 71 W 4.6145 8.0050 119.2107 60.2556 28.8267 177.8996 72 Q 4.4890 8.0141 116.9893 59.3174 28.4712 177.1913 73 G 3.6939 9.0361 109.7810 46.0787 0.0000 176.6300 74 T 2.9641 7.9563 104.1978 61.4931 71.1339 174.8184 75 G 3.9619 5.8569 105.3552 44.9242 0.0000 173.6692 76 D 4.5240 8.7700 124.4441 54.8211 40.1538 175.4492 77 S 4.7577 7.5295 112.8260 55.3389 66.1407 171.9593 78 P 4.3743 0.0000 0.0000 65.6139 31.1992 178.0480 79 R 3.7692 7.7933 118.5338 58.6704 30.0788 177.9507 80 A 4.1091 7.7340 117.6347 53.9644 18.7879 178.7312 81 R 4.7050 8.2303 119.0629 57.8156 30.5563 178.0555 82 I 3.7354 7.7347 119.0492 64.7258 37.0757 177.9819 83 A 4.0748 8.3767 121.3140 55.2269 18.0707 179.8664 84 S 3.7258 7.7055 113.7019 61.3015 62.7925 176.6004 85 F 3.0817 7.1678 122.7437 60.9553 39.0400 176.7173 86 I 3.3587 7.5668 117.9356 64.7539 37.1424 177.8495 87 D 4.5497 8.4062 117.1020 55.3005 40.7715 178.4928 88 L 4.1106 7.1284 122.1255 55.0845 42.7440 177.0943 *90 I 3.9683 7.5716 114.6633 60.9828 38.7231 175.8660 *92 N 4.7078 7.8765 116.6307 52.9886 40.1169 177.1439 93 R 3.9547 8.1645 117.6066 59.2711 29.5682 177.4789 94 A 4.0368 7.9621 121.0956 54.8289 18.3716 179.5953 95 K 4.0974 8.0754 116.5702 59.6148 32.2784 179.2301 96 I 4.3959 8.0543 120.3972 65.0053 37.1194 178.6942 97 T 4.2143 7.8672 109.6502 64.3789 68.3461 176.5989 98 R 3.8202 7.7316 121.1870 58.5358 30.2381 176.4661 99 Y 4.5466 8.4333 113.1509 56.4910 38.8997 176.6996 100 G 4.4931 8.5792 111.1177 43.5218 0.0000 173.0634 101 C 4.3583 8.3250 117.9475 58.6628 32.4514 172.3323 102 P 4.2727 0.0000 0.0000 65.8565 30.9090 178.9788 103 V 3.4469 7.6898 116.5417 65.9662 31.4823 177.4770 104 G 4.2129 8.4283 105.9268 47.8985 0.0000 175.1202 105 S 4.3190 8.6556 118.1875 59.9601 62.8705 176.5785 106 L 3.9817 8.0047 123.7655 58.2603 41.8763 178.6858 107 C 4.2489 8.6138 117.4177 62.9075 28.1073 176.2849 108 T 3.9206 8.2462 111.5583 64.7265 68.3633 176.1226 109 E 4.0299 8.1121 122.2035 59.1731 29.7481 178.9648 110 L 3.9843 8.3789 119.0929 57.5183 41.5529 179.6819 111 S 4.1140 8.2276 113.6338 61.2293 62.1667 176.0834 112 K 3.9884 8.1260 121.3973 59.4058 32.0729 178.5322 113 L 4.0547 8.1959 118.2544 55.1602 42.8313 176.3841 114 D 4.3601 7.6734 117.4821 55.3146 39.8652 171.9275 115 H 4.8264 8.2475 119.6732 54.2930 32.2386 175.2119 116 A 3.8332 8.2868 129.5598 55.3021 18.7748 177.8764 117 A 4.4333 8.0768 116.2269 52.4254 19.4661 178.5338 118 Q 4.1137 8.7951 119.8171 59.3580 28.7509 178.6622 119 G 3.7060 8.0743 105.1563 48.0295 0.0000 174.9252 120 Q 4.0945 8.0526 121.4193 58.6466 29.2284 177.6216 121 A 3.9603 8.4182 122.3161 55.3897 18.4729 179.1201 122 N 4.6452 8.9911 115.2427 56.0416 38.8957 176.8387 123 G 3.8316 7.8966 106.5008 47.1737 0.0000 175.3809 124 L 4.1093 7.8759 121.5098 57.6017 41.6877 179.1693 125 F 4.7253 7.9938 117.3635 60.6926 38.8568 177.6882 126 T 3.9952 8.2455 115.6096 67.2102 68.2755 175.7929 127 L 3.9343 7.8815 120.2150 57.8816 41.4658 179.2561 128 F 4.0293 8.1395 115.6087 61.0871 39.1299 177.6916 129 R 4.1156 8.5932 118.1411 60.1925 29.8911 178.2772 130 D 4.4257 8.6037 118.1334 56.4857 40.7674 178.6422 131 W 4.1613 8.2219 129.3659 60.2535 30.8707 178.2328 132 L 3.9190 9.0339 119.4697 57.3733 40.9302 179.4181 133 Q 4.0287 8.4487 120.1395 59.4817 29.1002 177.5456 134 R 3.7273 7.8453 119.3639 59.8392 29.6899 177.8031 135 Q 3.5107 7.7989 117.5066 59.4538 28.9154 179.6217 136 F 4.5711 7.7230 117.2625 60.8622 39.0710 177.1487 137 A 4.2187 8.0783 120.9114 54.3584 19.1352 179.0095 138 E 4.5004 8.6665 117.6543 54.9824 28.1721 176.6316 139 A 4.5080 6.7028 120.6511 51.2897 25.2518 178.5704 140 G 4.4860 6.7660 111.8783 46.7915 0.0000 173.9733 141 C 4.4829 7.2691 116.9527 58.8625 24.5095 174.3941 142 T 3.9019 7.6673 119.2535 67.3676 68.7166 176.1863 143 T 4.0731 7.7366 115.9022 66.1884 68.7479 175.4790 144 E 4.2879 7.8669 118.5940 55.9287 29.6623 177.4091 145 A 4.1946 7.9290 121.0802 56.0546 18.1374 177.5407 146 P 4.3294 0.0000 0.0000 66.3111 31.4616 178.2911 147 A 4.1771 7.9183 119.1555 55.1180 18.8439 178.9213 148 L 4.2275 7.8537 117.3132 57.9606 41.5743 179.4777 149 A 4.3327 8.1058 117.5357 54.1408 18.4197 178.2120 *151 H 4.5849 8.2067 117.9613 56.7045 31.7556 175.2485 152 L 3.7560 8.0687 120.4891 57.9935 41.9090 178.2756 153 L 4.0752 8.3017 120.4672 58.6039 41.9328 178.9999 154 A 3.9850 7.8743 119.7659 54.7116 18.3959 179.4078 155 R 3.7470 8.0994 117.5934 59.7289 30.2321 179.4181 156 S 4.1701 8.5187 114.0306 61.3038 62.7006 176.4762 157 Q 4.1627 8.2467 122.0332 58.8397 28.4602 178.8798 158 G 3.6313 8.3179 106.5958 47.5208 0.0000 175.6064 159 A 4.1553 8.1791 122.8486 55.0483 18.4329 179.2866 160 A 4.0066 8.0955 118.9476 55.7712 18.3156 179.7016 161 T 3.8661 8.4578 114.2891 67.1834 68.6382 176.8213 162 L 4.0533 8.1479 120.3394 57.4277 41.5654 179.2206 163 A 4.2826 8.5848 121.3620 55.6543 18.3943 179.6189 164 Q 4.6375 8.2685 119.1450 58.7222 28.8324 178.4035 165 S 4.1485 7.6478 115.7287 60.8755 63.1854 175.6596 166 F 4.1844 8.2266 117.3385 57.3355 40.1464 175.4772 167 H 3.9687 7.6474 115.2273 57.3036 25.7777 175.9135 168 D 4.8326 8.4167 119.0630 51.8274 41.9713 174.4583 169 E 4.1089 8.6428 126.8580 58.5503 30.6125 179.0863 170 G 3.8123 8.5005 105.5530 47.9304 0.0000 174.8993 171 F 4.1604 8.3019 124.8045 60.1799 39.3455 176.7029 172 L 3.8262 7.6412 118.9220 58.2379 41.6011 179.0440 173 R 3.9168 8.3377 119.0035 59.0701 29.6924 178.5049 174 S 4.2311 7.7724 113.2573 60.8493 62.8922 176.2836 175 E 3.6536 7.7645 122.4041 59.2847 29.3025 178.7973 176 V 3.6254 7.4954 116.6282 65.9058 31.8224 177.4825 177 A 4.2214 8.3621 120.9311 54.9407 18.1743 179.0995 178 D 4.4145 7.7318 116.8519 54.7921 41.5541 178.1325 *180 H 4.8175 8.1415 115.8476 55.7770 30.7345 176.2050 181 R 4.0912 7.8544 116.5365 58.9464 29.6415 178.6780 182 W 4.3186 8.0836 128.1266 60.2403 30.8247 177.7409 183 L 3.6084 8.2730 119.8284 58.2137 39.8460 178.1942 184 D 4.3439 8.3049 118.8243 57.7475 40.6635 178.2635 185 N 4.0637 7.4779 112.0885 54.3192 38.3687 176.2506 186 T 3.9424 7.1590 117.6841 64.2704 69.8648 174.3450 187 L 4.7671 6.7794 116.6253 52.4679 45.5582 175.4953 188 P 4.6344 0.0000 0.0000 63.4265 30.8578 178.1731 *190 T 4.2123 8.4006 108.6621 62.2713 69.4904 173.5668 191 T 4.1468 8.1385 117.0304 64.5848 69.4924 173.6032 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 V 8.04 4.09 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 0.94 0.00 0.00 0.97 0.00 0.00 3 Q 8.25 4.10 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.61 0.00 4 A 8.37 4.46 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 5 Q 7.87 4.09 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 6 T 7.87 3.98 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 1.28 0.00 0.00 7 R 8.08 3.66 0.00 1.96 2.04 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 8 D 7.59 4.47 0.00 2.97 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 9 Q 7.87 3.97 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 10 I 7.68 4.04 1.79 0.00 0.00 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 1.57 0.55 0.83 0.00 0.00 11 V 7.63 3.27 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 1.01 0.00 0.00 1.00 0.00 0.00 12 A 7.75 4.03 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 13 A 7.51 3.85 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.31 3.25 0.72 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 0.00 0.00 15 D 8.07 4.17 0.00 2.85 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 16 E 8.45 3.93 0.00 2.23 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 2.30 2.39 0.00 17 L 8.24 3.97 0.00 1.77 1.77 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 F 9.55 4.90 0.00 3.10 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 19 Y 8.21 4.34 0.00 2.80 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 20 R 7.56 2.92 0.00 1.56 1.27 0.00 3.03 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.59 0.00 21 Q 8.38 4.42 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 22 G 8.08 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 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.46 3.43 0.00 2.53 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 24 A 7.81 3.39 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.85 4.32 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 26 T 7.31 4.69 4.68 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 1.47 0.00 0.00 27 S 9.09 4.77 0.00 3.96 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 28 F 8.47 4.32 0.00 2.85 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.80 3.64 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 0.86 0.00 0.00 0.89 0.00 0.00 30 D 8.63 4.57 0.00 2.91 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 31 I 8.02 3.70 1.94 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 1.46 1.17 1.02 0.00 0.00 32 S 8.68 4.36 0.00 3.91 3.39 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 33 A 8.84 3.96 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 34 A 7.69 3.99 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 35 V 7.63 4.02 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 0.75 0.00 0.00 0.96 0.00 0.00 36 G 7.47 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 37 I 8.17 4.58 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 0.92 0.00 0.00 38 S 8.47 4.38 0.00 4.09 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 39 R 8.56 3.80 0.00 1.97 2.23 0.00 3.17 0.00 0.00 3.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 40 G 8.11 4.16 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 0.00 0.00 0.00 41 N 8.02 4.54 0.00 2.72 2.95 0.00 0.00 7.08 7.08 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 42 F 8.26 4.37 0.00 3.02 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 43 Y 8.26 5.01 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.53 2.57 0.00 52 I 7.60 2.93 2.19 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 0.35 -0.07 0.72 0.00 0.00 53 L 8.51 4.07 0.00 1.44 1.75 0.33 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.90 3.99 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 55 E 7.82 4.03 0.00 2.13 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 2.51 2.87 0.00 56 V 7.89 3.52 2.27 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 1.07 0.00 0.00 0.94 0.00 0.00 57 I 7.89 3.61 1.84 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 1.47 0.40 0.88 0.00 0.00 58 R 7.97 3.85 0.00 2.03 1.98 0.00 3.16 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 59 L 7.84 3.89 0.00 1.73 1.94 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.60 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.99 4.65 0.00 3.05 3.04 0.00 0.00 7.14 7.80 0.00 0.00 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 G 7.90 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 0.00 0.00 0.00 124 L 7.88 4.11 0.00 1.70 1.64 0.87 0.97 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 0.00 125 F 7.99 4.73 0.00 3.33 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 0.00 126 T 8.25 4.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 127 L 7.88 3.93 0.00 1.72 1.44 0.80 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.14 4.03 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.59 4.12 0.00 2.12 2.31 0.00 3.16 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 130 D 8.60 4.43 0.00 2.81 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 0.00 131 W 8.22 4.16 0.00 3.47 3.36 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 0.00 132 L 9.03 3.92 0.00 1.94 1.60 0.34 0.63 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 0.00 133 Q 8.45 4.03 0.00 2.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 134 R 7.85 3.73 0.00 1.81 1.76 0.00 2.88 0.00 0.00 2.96 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.67 0.00 135 Q 7.80 3.51 0.00 1.46 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.00 136 F 7.72 4.57 0.00 3.22 3.01 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 0.00 137 A 8.08 4.22 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 0.00 138 E 8.67 4.50 0.00 1.80 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 2.30 2.18 0.00 139 A 6.70 4.51 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 0.00 140 G 6.77 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.27 4.48 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 0.00 142 T 7.67 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 0.00 143 T 7.74 4.07 4.22 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 1.20 0.00 0.00 144 E 7.87 4.29 0.00 2.02 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 2.17 2.23 0.00 145 A 7.93 4.19 1.53 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 0.00 0.00 146 P 0.00 4.33 0.00 2.06 2.14 0.00 3.65 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 2.06 2.36 0.00 147 A 7.92 4.18 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 0.00 148 L 7.85 4.23 0.00 1.72 0.90 0.16 0.65 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 0.00 149 A 8.11 4.33 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 4.58 0.00 3.23 3.61 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.07 3.76 0.00 2.16 2.11 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.30 4.08 0.00 2.02 1.66 1.15 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.87 3.98 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 0.00 155 R 8.10 3.75 0.00 1.83 1.86 0.00 3.01 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.23 0.00 156 S 8.52 4.17 0.00 3.90 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 0.00 157 Q 8.25 4.16 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.72 2.45 0.00 158 G 8.32 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 0.00 159 A 8.18 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.10 4.01 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 0.00 161 T 8.46 3.87 4.45 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 1.24 0.00 0.00 162 L 8.15 4.05 0.00 1.71 1.28 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.58 4.28 1.52 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 0.00 0.00 164 Q 8.27 4.64 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 165 S 7.65 4.15 0.00 3.70 3.72 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 0.00 166 F 8.23 4.18 0.00 3.12 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 0.00 167 H 7.65 3.97 0.00 3.19 3.38 0.00 5.83 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.42 4.83 0.00 2.81 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 0.00 169 E 8.64 4.11 0.00 2.07 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 2.40 2.33 0.00 170 G 8.50 3.81 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 0.00 171 F 8.30 4.16 0.00 3.10 3.26 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 0.00 172 L 7.64 3.83 0.00 2.02 1.76 0.95 0.87 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 0.00 173 R 8.34 3.92 0.00 1.87 1.91 0.00 3.14 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 174 S 7.77 4.23 0.00 4.00 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 0.00 175 E 7.76 3.65 0.00 1.69 1.77 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 1.47 1.90 0.00 176 V 7.50 3.63 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 0.84 0.00 0.00 0.95 0.00 0.00 177 A 8.36 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 0.00 178 D 7.73 4.41 0.00 2.80 2.71 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 0.00 0.00 0.00 0.00 *180 H 8.14 4.82 0.00 3.46 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 7.85 4.09 0.00 1.88 2.08 0.00 3.19 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 182 W 8.08 4.32 0.00 3.47 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 0.00 183 L 8.27 3.61 0.00 2.01 1.98 1.14 1.35 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 0.00 184 D 8.30 4.34 0.00 2.86 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 0.00 185 N 7.48 4.06 0.00 2.55 2.76 0.00 0.00 7.08 7.20 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 0.00 186 T 7.16 3.94 3.81 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 0.52 0.00 0.00 187 L 6.78 4.77 0.00 1.55 1.56 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.63 0.00 2.11 1.02 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 1.85 1.87 0.00 *190 T 8.40 4.21 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 1.23 0.00 0.00 191 T 8.14 4.15 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 * Residues marked with a * may have inaccurate shift predictions.