NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8930 8.4545 109.7427 45.2247 0.0000 174.8725 4 K 4.3667 7.7053 120.7398 52.1808 33.1239 177.1490 5 I 4.0040 8.1784 121.5126 64.4345 38.2537 175.6912 6 S 4.7445 7.6318 111.0631 58.5649 64.8538 174.6964 7 A 4.2965 8.8216 122.6443 52.6625 18.5705 177.4330 8 L 4.5534 7.5691 118.7275 53.3788 43.4003 177.1466 9 D 4.4249 8.1525 120.3917 53.0455 40.5291 175.3433 *14 E 4.2523 8.2244 118.0545 56.3810 30.6507 176.0247 15 L 4.1186 8.1812 120.2540 54.5718 42.3407 178.2836 16 S 4.3938 8.2598 117.2922 57.9555 65.2717 175.2808 17 E 3.9135 8.5747 121.7851 59.1290 29.1538 177.8386 18 P 4.2580 0.0000 0.0000 65.9487 31.3658 178.8195 19 T 3.6307 7.5751 114.6626 66.1260 68.1902 176.8697 20 K 3.8063 8.1423 120.5554 59.4968 32.1303 179.0560 21 A 4.0130 8.0078 120.7302 55.4767 18.3655 179.0976 22 Y 4.0773 8.2582 118.0785 60.8905 38.8731 178.1767 23 F 4.4175 8.6808 118.8607 60.3029 38.9002 177.4579 24 A 4.0058 8.5402 121.0078 55.2125 18.0940 179.5578 25 K 3.9841 8.1739 118.0443 59.9110 32.1457 178.8040 26 C 4.0212 7.7745 117.0050 62.5694 28.1287 175.6582 27 E 3.9054 8.2040 121.0045 59.2187 29.0053 178.5858 28 E 3.9410 8.1869 117.8628 58.8378 29.6365 178.4246 29 K 4.3763 7.5077 117.1077 56.4384 33.2654 176.5105 30 L 4.5487 8.3550 116.5325 53.6719 43.5330 177.5756 31 G 3.9384 9.7591 106.5467 45.0879 0.0000 172.8301 32 L 4.1816 7.0628 117.0568 54.9173 42.7123 174.2951 33 V 3.9686 7.8597 119.3190 60.1584 32.2941 173.7551 34 P 4.5032 0.0000 0.0000 63.2405 31.8177 177.4070 35 N 4.5096 9.3755 120.6819 55.7464 38.2359 178.0794 36 V 3.4999 8.0078 120.8852 64.7755 31.2602 178.2820 37 L 4.1205 7.7369 118.5423 57.3092 41.5586 179.3265 38 K 4.3410 7.9082 118.1203 59.3074 31.8731 178.7997 39 A 4.0333 7.8445 120.2270 55.4010 18.5850 178.6303 40 Y 3.9868 7.9321 113.0614 58.9665 38.0893 176.9072 41 A 4.3467 7.6315 121.1328 52.8867 18.7606 178.0952 42 F 4.3430 8.0031 112.0811 58.3960 38.6016 175.6716 43 D 4.3659 7.0451 121.3018 52.2848 44.3759 175.2404 44 D 4.4558 8.8272 129.6804 57.2629 40.9367 179.4940 45 K 3.9927 8.8813 125.2585 59.4937 31.7124 184.2230 46 K 4.1731 8.0549 119.5553 59.2124 31.9912 178.6824 47 L 3.9298 7.8073 120.4723 58.3238 41.9326 178.8976 48 R 3.7227 8.0213 117.9662 59.4106 30.1332 178.0006 49 A 3.9628 8.0657 120.4757 55.2489 18.2659 179.1733 50 F 4.0050 8.5180 119.5004 61.8339 39.4286 177.5072 51 T 3.6289 8.2314 109.5058 64.5634 68.3493 175.8467 52 D 4.3195 8.4020 122.2028 57.6433 40.9312 179.1784 53 I 3.6629 7.5393 119.6464 64.0865 36.8410 177.8734 54 Y 3.1739 7.5116 119.8747 60.6469 38.6809 177.7382 55 N 4.4904 7.9324 115.8881 56.0781 38.9186 176.5676 56 D 4.4466 7.6562 119.5795 57.3039 41.1467 177.8988 57 L 3.8230 7.0882 115.9500 56.6001 41.8772 177.2154 *59 L 4.1809 7.7700 116.4444 54.6089 43.4453 176.8837 60 G 3.8687 7.6923 107.9588 44.4720 0.0000 173.1871 61 E 4.0948 8.4103 118.8489 56.5226 29.9428 176.6786 62 S 4.5395 7.9406 114.3763 57.7040 64.9183 175.8609 63 G 3.8259 8.7636 112.6853 46.6716 0.0000 173.6573 64 L 4.6335 7.8817 121.3662 53.3278 42.6298 177.5135 65 S 4.3872 8.6466 118.4965 58.1248 64.9898 175.7514 66 K 3.9454 8.5072 121.7076 59.4933 31.5352 179.3557 67 L 3.9727 7.8284 119.5154 58.0287 42.1160 178.1434 68 D 4.5219 7.8764 118.0907 57.6887 41.1244 178.8803 69 R 4.0870 7.6847 118.0289 58.8606 30.0353 179.5788 70 E 3.7857 7.9696 117.0919 56.6595 29.4755 179.0399 *72 I 3.9128 7.8371 121.7642 61.3605 39.5938 178.0080 73 A 3.1889 7.6189 121.9171 54.9044 17.9458 179.9025 74 V 3.4421 7.5725 116.4280 65.8710 31.5434 177.9231 75 A 3.9558 7.8184 120.0361 55.2849 18.2400 179.6211 76 V 3.5180 7.5529 116.3921 66.3810 31.6467 178.4867 77 S 4.8721 8.1272 115.9232 60.7902 62.4495 176.6509 78 S 4.1212 8.4444 116.8742 61.2508 61.9051 176.1921 79 I 3.7061 7.3712 121.2301 64.2977 37.0269 177.4498 80 N 4.5901 7.9722 113.6929 52.7143 39.4535 174.5599 81 H 3.9568 7.4194 117.3451 56.7896 27.0768 175.9988 82 C 4.5050 8.0256 120.0166 58.1888 31.4822 172.8186 83 Y 4.3760 8.8493 129.2570 60.9480 38.2395 177.2137 84 Y 3.4773 7.9638 119.6824 61.0005 38.9938 177.7716 85 C 4.3969 8.2187 117.0766 62.6784 28.4796 175.8984 86 L 4.0214 8.1762 120.7564 57.9372 41.2292 179.7538 87 T 3.7234 7.7075 115.3597 66.4285 68.3089 176.6452 88 A 2.5800 7.4989 122.6146 55.1330 18.4534 179.2778 89 H 4.3920 8.3533 114.4074 57.8308 28.9420 178.1888 90 G 3.6137 7.8420 107.4925 47.6538 0.0000 175.5955 91 A 4.0003 7.7758 122.3836 54.8482 18.3280 179.5103 92 A 3.9450 7.6374 119.1493 55.2151 18.4571 179.9689 93 V 3.5542 7.8380 116.5968 66.2479 31.7704 178.1788 94 R 4.0918 7.9234 117.7394 59.4863 29.7342 178.8132 95 Q 3.9442 8.1449 117.8055 59.3951 29.2505 177.9788 96 L 4.1525 8.5408 119.4632 57.4881 41.6826 179.1093 97 S 4.4413 8.1730 113.3522 58.5298 63.4522 175.4920 98 G 3.7956 7.8657 108.1853 45.6092 0.0000 172.9224 99 D 4.7507 7.9065 119.7811 50.9614 41.8480 174.4256 100 P 4.2540 0.0000 0.0000 65.4308 31.1429 178.2811 101 A 4.0086 8.0481 118.3881 54.9445 18.3764 178.9071 102 L 4.1630 7.8912 118.0836 58.2090 42.4032 179.1505 103 G 3.8167 7.7294 105.1818 47.6992 0.0000 176.0459 104 E 4.2454 7.4855 116.4730 57.0544 29.0340 177.8720 *106 L 4.4437 7.9145 120.8789 55.0232 43.3980 178.4586 107 V 3.4762 7.8421 114.4035 64.3765 31.3498 175.0298 *109 N 4.4582 7.9622 117.1754 53.5187 39.0355 174.4722 110 F 4.2630 8.7981 122.2081 59.8204 38.0610 177.6781 111 R 3.7507 6.7217 119.3202 58.3247 29.8235 177.3257 112 A 4.1980 7.8604 119.1717 53.0188 19.1981 177.6979 113 A 4.2067 8.1333 119.5398 52.3324 19.0941 178.2404 114 D 4.6830 8.3431 122.5601 53.1788 39.4769 175.9982 115 L 4.6921 7.5733 121.2808 53.2573 43.6861 177.6356 116 S 4.4391 9.1888 117.2407 57.5106 65.0383 173.5978 117 P 4.2295 0.0000 0.0000 65.8045 30.7304 178.9820 118 R 3.7825 7.8031 116.0981 59.5789 30.1968 178.1545 119 Q 4.2429 7.8723 116.5333 59.1642 28.9283 178.5996 120 T 4.1920 8.3164 116.7651 66.5464 68.5025 177.1630 121 A 4.3136 8.1143 118.9368 53.3481 18.1709 178.9470 *123 L 4.0535 7.8987 122.1816 56.0203 44.0024 179.3385 124 E 4.0347 8.4556 118.5464 59.2756 29.2565 178.9832 125 F 4.0341 8.3330 120.5071 61.1371 39.5891 176.7692 126 A 3.8745 8.1197 119.9170 55.2627 18.1466 179.4753 127 V 3.4864 7.8229 116.6668 66.1356 31.5375 178.1700 128 K 3.8817 7.9355 119.2475 59.4077 31.8159 178.5669 129 L 3.7646 7.5176 119.5938 57.9335 41.9111 178.8101 130 T 4.0488 7.3345 114.9598 66.3539 68.5983 176.2825 131 E 4.2935 8.0084 119.0313 58.0653 31.4155 177.5317 132 E 4.7709 8.4037 117.8927 54.3843 31.5722 174.0614 133 P 4.1400 0.0000 0.0000 65.4882 32.0304 179.3031 134 A 4.0523 8.0289 120.5842 54.1720 18.2952 177.8314 135 K 4.4958 7.6788 113.3282 55.9768 32.6356 176.2656 136 I 4.0472 7.4900 121.1293 61.3393 37.4708 175.7956 137 V 4.5927 9.5679 118.4558 58.4139 35.6078 176.0388 138 E 3.9474 8.9354 120.5032 59.8043 28.9869 178.5048 139 A 4.0575 8.1436 120.0778 55.3824 17.9355 179.1084 140 D 4.4273 8.2315 117.1065 57.7567 40.9733 179.2820 141 R 3.8221 8.1269 117.7226 59.2434 30.0536 178.7866 142 A 4.0238 8.5643 120.7440 55.1067 18.1920 179.5089 143 A 3.9733 8.3388 119.4988 55.2606 18.4092 179.9476 144 L 4.1348 7.7101 117.0311 58.0716 41.7528 179.8441 145 R 4.2701 7.9250 119.3667 58.7819 29.7849 179.2327 146 K 3.9773 8.1867 117.1781 59.2513 32.1347 178.4800 147 A 4.2311 7.4983 118.7870 52.6634 18.4792 178.0086 148 G 3.7902 7.8292 105.9176 45.0478 0.0000 173.3833 149 F 4.8776 7.9835 118.9503 55.9462 40.3373 176.3782 150 S 4.4837 8.8958 120.6365 57.7531 65.3738 175.2055 151 D 4.4104 8.4997 120.8404 57.3600 40.3658 178.9557 152 R 3.9957 7.9551 118.9897 59.1044 30.1925 177.9136 153 D 4.3712 8.1352 118.9147 57.5159 40.8498 178.7569 154 I 3.3473 7.7191 120.0002 64.0145 37.0629 177.9470 155 W 4.1571 8.3129 129.1228 60.8707 30.4501 177.6352 156 D 4.3836 8.4911 118.6322 57.3771 40.2820 178.9677 157 I 3.5106 8.1258 120.2710 64.2652 37.0961 178.3061 158 A 4.1125 8.1463 121.9029 55.4676 18.1578 179.8929 159 S 3.8092 8.0188 113.9770 61.8053 62.8495 177.2074 160 T 3.9248 7.8837 118.3067 66.4819 68.3761 176.7744 161 A 4.0519 8.0014 122.4397 55.0126 18.1883 179.4013 162 A 3.8738 7.8631 118.0767 55.3604 18.5803 178.9787 163 F 3.9513 8.0954 117.7374 61.7597 39.7445 177.1555 164 F 4.1469 8.3150 115.3424 59.1883 38.2310 177.2190 165 N 4.4841 7.7777 114.8968 53.8666 38.0955 176.9411 *167 S 4.1064 7.9837 117.9284 58.7289 65.1216 176.0748 168 N 4.3902 8.1252 117.4028 56.4195 38.1612 177.5859 169 R 4.0698 7.5775 119.0362 58.5910 30.1234 179.2076 170 V 3.4893 7.6471 117.6075 65.8163 31.5851 177.6319 171 A 3.9188 8.1356 120.4539 55.2417 17.9979 179.4523 172 A 3.9805 7.9918 117.7208 55.2684 18.5188 179.3875 173 A 4.1128 7.8853 118.5373 54.3851 18.7308 178.8972 174 I 4.1457 7.4442 108.9653 58.7119 38.1271 171.2050 175 D 4.3247 7.4465 127.5981 53.8732 42.7281 172.4910 *177 R 4.4708 8.4181 123.6243 55.3588 31.1631 173.7201 178 P 4.1731 0.0000 0.0000 61.7182 32.2838 175.8809 179 N 4.2312 8.6761 117.0236 53.9958 39.1880 175.9170 180 D 4.3701 8.6113 120.7919 57.2314 41.0441 178.3473 181 E 3.9932 7.9498 118.6586 59.1456 29.1752 178.4072 182 Y 4.4280 7.1183 116.4369 61.3853 37.8928 177.9974 183 H 4.5882 7.8242 115.5954 57.9423 29.8081 176.1807 184 A 4.1611 7.1847 125.0070 50.9390 17.1275 177.1856 *186 A 4.1677 7.8074 129.4870 52.1182 20.1784 177.4236 187 R 4.2415 7.9049 124.5470 56.8406 30.3983 177.1381 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 G 8.45 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 4 K 7.71 4.37 0.00 1.87 1.59 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.09 7.81 5 I 8.18 4.00 1.90 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 1.50 1.25 0.99 0.00 0.00 6 S 7.63 4.74 0.00 4.07 3.78 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 0.00 0.00 0.00 7 A 8.82 4.30 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 8 L 7.57 4.55 0.00 1.56 1.48 0.81 0.99 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 9 D 8.15 4.42 0.00 2.70 2.45 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 *14 E 8.22 4.25 0.00 1.98 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 2.22 2.29 0.00 15 L 8.18 4.12 0.00 1.59 1.45 1.03 0.93 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 16 S 8.26 4.39 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.57 3.91 0.00 1.98 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 2.39 2.34 0.00 18 P 0.00 4.26 0.00 2.09 2.06 0.00 3.47 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 2.07 2.15 0.00 19 T 7.58 3.63 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 20 K 8.14 3.81 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.42 7.81 21 A 8.01 4.01 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.26 4.08 0.00 3.14 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.68 4.42 0.00 3.26 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 24 A 8.54 4.01 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 25 K 8.17 3.98 0.00 1.96 1.75 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.47 7.81 26 C 7.77 4.02 0.00 3.10 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 27 E 8.20 3.91 0.00 2.14 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 2.28 2.31 0.00 28 E 8.19 3.94 0.00 2.14 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 2.34 2.46 0.00 29 K 7.51 4.38 0.00 1.94 2.03 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.32 7.81 30 L 8.36 4.55 0.00 1.84 1.62 0.92 0.93 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 31 G 9.76 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 0.00 0.00 0.00 0.00 32 L 7.06 4.18 0.00 1.50 1.43 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.86 3.97 1.79 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 -0.10 0.00 0.00 0.84 0.00 0.00 34 P 0.00 4.50 0.00 2.27 2.14 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 35 N 9.38 4.51 0.00 3.07 3.03 0.00 0.00 6.42 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 36 V 8.01 3.50 1.72 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 0.95 0.00 0.00 0.49 0.00 0.00 37 L 7.74 4.12 0.00 1.66 2.11 1.21 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.91 4.34 0.00 2.02 1.92 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.23 7.81 39 A 7.84 4.03 1.26 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 0.00 0.00 40 Y 7.93 3.99 0.00 2.97 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 41 A 7.63 4.35 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.00 4.34 0.00 3.13 3.20 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 43 D 7.05 4.37 0.00 2.34 1.76 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 44 D 8.83 4.46 0.00 2.66 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 45 K 8.88 3.99 0.00 1.71 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 46 K 8.05 4.17 0.00 1.81 2.08 0.00 1.51 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.59 7.81 47 L 7.81 3.93 0.00 1.98 1.79 1.15 0.89 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 48 R 8.02 3.72 0.00 1.94 2.09 0.00 3.15 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 49 A 8.07 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.52 4.01 0.00 2.43 2.84 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 51 T 8.23 3.63 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 1.42 0.00 0.00 52 D 8.40 4.32 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.54 3.66 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 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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 1.25 1.11 0.87 0.00 0.00 73 A 7.62 3.19 0.19 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 74 V 7.57 3.44 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 1.04 0.00 0.00 0.95 0.00 0.00 75 A 7.82 3.96 1.10 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 76 V 7.55 3.52 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 77 S 8.13 4.87 0.00 4.06 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 78 S 8.44 4.12 0.00 3.97 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 79 I 7.37 3.71 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.91 0.00 0.00 80 N 7.97 4.59 0.00 2.88 2.89 0.00 0.00 7.26 8.20 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 81 H 7.42 3.96 0.00 3.25 3.36 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.03 4.51 0.00 3.06 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 83 Y 8.85 4.38 0.00 3.11 3.06 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 84 Y 7.96 3.48 0.00 3.05 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 85 C 8.22 4.40 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 86 L 8.18 4.02 0.00 1.81 1.76 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.71 3.72 3.88 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 1.02 0.00 0.00 88 A 7.50 2.58 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.35 4.39 0.00 3.20 3.36 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.84 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.78 4.00 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 92 A 7.64 3.94 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 93 V 7.84 3.55 2.23 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 1.03 0.00 0.00 0.96 0.00 0.00 94 R 7.92 4.09 0.00 2.10 2.17 0.00 3.27 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 95 Q 8.14 3.94 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 96 L 8.54 4.15 0.00 1.68 1.73 0.94 0.70 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 97 S 8.17 4.44 0.00 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2.17 2.37 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 134 A 8.03 4.05 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 0.00 135 K 7.68 4.50 0.00 1.86 1.80 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 136 I 7.49 4.05 1.86 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.96 0.00 0.00 137 V 9.57 4.59 2.11 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 0.80 0.00 0.00 1.00 0.00 0.00 138 E 8.94 3.95 0.00 2.10 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 2.41 2.49 0.00 139 A 8.14 4.06 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 0.00 140 D 8.23 4.43 0.00 3.06 3.06 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 0.00 141 R 8.13 3.82 0.00 2.05 1.98 0.00 3.32 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 142 A 8.56 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 0.00 143 A 8.34 3.97 1.48 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 0.00 0.00 144 L 7.71 4.13 0.00 1.79 1.77 -0.08 0.77 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 0.00 145 R 7.93 4.27 0.00 2.04 1.99 0.00 3.15 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 146 K 8.19 3.98 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 147 A 7.50 4.23 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 0.00 148 G 7.83 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 0.00 149 F 7.98 4.88 0.00 3.22 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 0.00 150 S 8.90 4.48 0.00 4.09 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 0.00 151 D 8.50 4.41 0.00 2.80 2.78 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 0.00 0.00 0.00 152 R 7.96 4.00 0.00 1.91 1.94 0.00 3.26 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 153 D 8.14 4.37 0.00 3.16 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 0.00 154 I 7.72 3.35 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.68 0.00 0.00 155 W 8.31 4.16 0.00 3.42 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 0.00 156 D 8.49 4.38 0.00 2.91 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 0.00 157 I 8.13 3.51 1.65 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.84 0.00 0.00 158 A 8.15 4.11 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 0.00 159 S 8.02 3.81 0.00 3.56 3.70 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 0.00 160 T 7.88 3.92 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 1.29 0.00 0.00 161 A 8.00 4.05 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 0.00 162 A 7.86 3.87 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 0.00 163 F 8.10 3.95 0.00 3.01 3.22 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 0.00 164 F 8.32 4.15 0.00 3.30 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 0.00 165 N 7.78 4.48 0.00 2.93 2.79 0.00 0.00 6.80 6.86 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 *167 S 7.98 4.11 0.00 3.71 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 0.00 168 N 8.13 4.39 0.00 2.82 2.93 0.00 0.00 7.12 6.94 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 0.00 169 R 7.58 4.07 0.00 1.68 1.95 0.00 3.34 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 170 V 7.65 3.49 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 0.95 0.00 0.00 0.91 0.00 0.00 171 A 8.14 3.92 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 0.00 172 A 7.99 3.98 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 0.00 173 A 7.89 4.11 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 0.00 174 I 7.44 4.15 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.11 0.83 0.00 0.00 175 D 7.45 4.32 0.00 2.92 2.66 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 *177 R 8.42 4.47 0.00 2.08 2.03 0.00 3.65 0.00 0.00 3.55 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 178 P 0.00 4.17 0.00 1.78 1.00 0.00 3.59 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.98 0.00 179 N 8.68 4.23 0.00 2.21 2.73 0.00 0.00 6.58 8.08 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 0.00 180 D 8.61 4.37 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 0.00 181 E 7.95 3.99 0.00 1.80 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 2.29 2.38 0.00 182 Y 7.12 4.43 0.00 2.80 2.78 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 0.00 0.00 0.00 183 H 7.82 4.59 0.00 3.29 3.38 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.18 4.16 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 *186 A 7.81 4.17 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 0.00 187 R 7.90 4.24 0.00 1.82 1.85 0.00 3.43 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.