NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2158 8.3049 118.1475 55.0324 32.5756 173.9918 2 F 4.9693 8.7322 117.5952 53.5981 42.3873 173.6102 3 D 5.0931 9.3493 124.8833 51.0438 44.0178 176.5804 4 A 3.8964 8.5591 121.9353 55.6324 18.2138 180.1782 5 F 4.2219 7.8774 115.4946 61.0789 39.1935 178.0123 6 T 4.0871 9.1742 109.3334 64.1427 68.3670 176.4677 7 K 3.1619 8.1101 123.2204 59.3911 32.2812 178.9780 8 V 3.6946 7.2928 118.1489 65.6395 31.2861 178.2396 9 V 3.5892 7.6877 118.1116 65.9847 31.5184 178.1633 10 S 4.1164 8.1695 114.2647 61.6678 62.7725 176.5199 11 Q 3.9441 7.7696 121.5025 58.4912 28.3470 178.4554 12 A 4.0312 8.0227 122.0199 55.0826 18.3263 179.1968 13 D 4.2532 8.4725 117.0064 57.7822 41.0876 178.5702 14 T 3.9033 7.7574 115.1591 65.9055 68.4869 175.6608 15 R 4.4686 7.3665 116.7951 54.7533 30.7393 176.4043 16 G 4.0102 8.1769 107.0346 46.5330 0.0000 173.4078 17 E 4.7714 8.1281 117.2307 54.1550 32.6913 176.0440 18 M 4.3955 8.2751 120.4906 54.1794 33.1685 176.5546 19 L 4.0069 8.3727 121.7618 55.2526 42.4905 178.2444 20 S 4.4715 8.3961 117.6380 58.1817 65.3727 175.5589 21 T 3.9106 8.3699 118.2834 66.4545 68.1398 176.8493 22 A 3.9959 7.9352 122.4418 55.3720 18.4978 179.5846 23 Q 3.9686 8.0286 116.3392 59.1113 28.7715 179.0358 24 I 3.7976 7.8752 120.9590 64.4199 37.1375 178.2251 25 D 4.3664 8.6121 120.0631 57.1035 40.6058 178.5847 26 A 3.9791 7.9465 121.2509 55.3665 18.4470 179.7718 27 L 3.9609 7.9232 117.3278 58.0143 41.6289 179.9960 28 S 4.2210 8.2399 115.2796 61.2398 62.4428 176.4115 29 Q 3.9209 7.7719 121.7818 59.3879 29.2803 177.5844 30 M 4.0900 7.7432 118.6469 58.8409 32.1137 178.1899 31 V 3.6351 7.9559 117.9540 66.1618 31.4195 177.8427 32 A 4.1186 8.0648 119.3387 54.0388 18.3188 177.8859 33 E 4.5872 7.6879 115.4269 56.1785 30.2355 178.0660 34 S 4.1809 7.8358 117.5391 61.3851 62.6767 176.2941 35 N 4.3396 8.1103 120.0561 56.1580 38.3634 177.1567 36 K 3.9629 7.8710 119.6325 59.4175 32.1731 179.2535 37 R 3.9253 7.9724 118.4054 59.6539 30.0553 178.4565 38 L 4.1565 8.1494 118.5887 57.6409 41.4824 179.3168 39 D 4.3563 8.1578 119.0001 57.1240 40.7016 178.2669 40 A 4.0280 8.0464 121.3391 55.3364 18.3966 179.6863 41 V 3.5892 7.7760 116.4199 66.2963 31.5926 177.7275 42 N 4.3357 8.2582 116.5381 56.7976 38.6137 176.9923 43 R 3.9579 8.4602 118.5458 59.4395 30.4558 178.8968 44 I 3.9572 8.0970 119.7449 64.5253 37.1285 178.6337 45 T 3.8652 8.0497 116.6041 66.8126 68.1663 176.8033 46 S 4.3998 8.4132 115.3442 60.3319 62.8867 174.7341 47 N 4.9919 7.7170 118.0686 52.4638 39.7637 176.0702 48 A 3.9995 8.2034 123.0684 55.7248 18.2562 180.8037 49 S 4.0742 8.0230 112.8613 62.0181 62.8977 177.0295 50 T 3.8577 7.8100 117.8536 66.6682 68.1804 176.6382 51 I 3.6707 7.9634 121.9419 64.3338 37.0388 178.7109 52 V 3.5620 7.9995 119.2497 65.9458 31.4072 178.0820 53 S 4.1080 8.2409 114.1512 61.7780 62.7796 176.1935 54 N 4.2745 8.3495 120.2577 55.7619 38.2250 177.3355 55 A 3.9222 7.8297 121.9977 54.8675 18.4562 179.6252 56 A 3.3818 8.1886 119.7828 55.0206 18.4294 179.8448 57 R 3.8407 8.1266 117.6579 59.6182 30.1424 178.7461 58 S 4.0577 8.0350 112.9947 61.0177 62.3295 175.8706 59 L 3.8245 7.7470 123.1685 58.2617 41.6196 179.1011 60 F 4.6464 7.4532 116.1463 60.4653 38.8876 177.3377 61 A 4.1904 7.9358 119.8382 54.6801 18.2092 178.7688 62 E 4.2729 7.9626 117.2905 57.4153 31.2982 176.5611 63 Q 4.6692 8.3125 118.6820 52.5817 29.1939 173.8424 64 P 4.4650 0.0000 0.0000 65.2438 31.9913 179.6364 65 Q 4.0435 8.1839 117.0178 58.9138 28.6357 178.5194 66 L 3.9683 7.9309 118.4726 56.9123 41.6589 177.8010 67 I 4.1901 7.3940 108.7218 60.1225 38.3187 175.7355 68 A 4.0733 7.4651 125.5285 51.2289 18.8166 175.5206 69 P 2.9700 0.0000 0.0000 63.9018 31.5825 177.1555 70 G 4.0718 8.3841 111.4040 45.3109 0.0000 174.2972 71 G 4.0961 7.9713 114.1190 45.1870 0.0000 175.4066 *75 A 4.1948 8.7245 127.5532 51.1417 19.7997 176.5693 76 Y 4.1924 7.7570 118.3943 58.7607 39.7722 175.2252 77 T 2.9993 7.1608 113.6422 62.0843 69.1367 172.6540 78 S 4.0018 8.5000 119.9850 62.0529 62.8740 177.0401 79 R 3.8789 7.8749 120.5293 59.5715 29.6942 178.5918 80 R 3.9571 7.7224 117.9924 59.1502 30.0423 178.5195 81 M 3.9429 8.0475 117.8588 58.5570 32.1402 178.1273 82 A 3.9703 8.4001 121.0588 55.1849 18.5012 179.4878 83 A 3.9502 8.0352 119.3336 55.2401 18.4778 179.4035 84 C 4.0816 8.5036 117.5803 62.8176 31.7361 175.7902 85 L 4.0653 8.2139 120.6856 57.8768 41.1279 179.5830 86 R 3.9367 8.2633 118.8230 59.5195 29.9265 178.3496 87 D 4.4670 8.4866 118.9492 57.5027 40.8183 178.5771 88 M 4.0842 8.0487 119.1244 58.4983 31.9413 178.4714 89 E 3.9511 8.2058 119.3406 59.1833 29.7588 178.7762 90 I 3.6977 8.1812 120.2778 64.5823 37.3494 178.4385 91 I 3.7636 8.0944 120.7960 64.2845 36.9278 178.2442 92 L 3.9276 8.0650 121.1498 58.0473 41.9532 178.9176 93 R 3.4710 8.1079 118.9136 59.6980 30.1027 178.2177 94 Y 3.5575 7.7793 116.2388 60.5424 37.7435 178.7575 95 V 3.4168 7.5469 119.6091 65.9961 31.5325 178.1734 96 T 3.9079 7.7006 109.6025 64.8995 68.4190 176.0640 97 Y 4.2819 7.7322 119.2731 61.0171 37.8858 178.3920 98 A 4.1144 7.7818 122.6540 54.4801 18.0659 179.9016 99 V 3.7603 7.6066 115.8932 66.0176 31.7148 177.8154 100 F 4.2592 8.3370 119.1898 61.4508 39.5970 176.8665 101 A 4.2099 8.8931 120.4729 52.6058 18.0207 177.8392 102 G 4.0653 8.6881 105.1287 45.6343 0.0000 173.2257 103 D 4.5436 7.6095 115.3153 51.9847 44.2112 175.2591 104 A 4.1730 8.7073 126.8647 52.4247 18.7516 179.3486 105 S 4.1122 8.4746 114.9903 61.6251 62.9899 176.9565 106 V 3.6014 7.8426 122.8654 64.2080 30.8998 177.8027 107 L 3.9496 7.8601 120.4044 57.7963 42.0134 178.5269 108 E 3.9041 8.2515 118.4102 59.5560 29.2467 179.1367 109 D 4.2384 8.4247 117.5441 57.4428 41.1179 178.6626 110 R 4.1331 7.7243 115.5478 56.8749 30.4452 175.9612 111 C 4.2364 7.3010 115.1024 60.7252 33.7693 174.8551 112 L 3.9669 8.0106 119.4354 57.2204 41.4842 176.6199 113 N 4.2630 8.1677 118.0377 55.5738 38.7573 174.5739 114 G 4.3743 8.9262 113.7183 45.7513 0.0000 174.1922 115 L 3.6954 8.1589 123.5028 57.6152 41.9270 178.8542 116 R 3.9291 7.8591 118.2722 59.6114 30.0989 178.2178 117 E 3.9782 8.0725 117.7861 59.4852 29.5679 179.3708 118 T 3.7735 7.4605 115.6284 66.8902 68.5758 176.3619 119 Y 4.4557 7.7508 118.5653 61.0609 37.6802 178.2046 120 L 3.9924 8.0219 120.0074 58.4663 42.2225 178.8108 121 A 4.1520 7.8806 119.0440 54.6174 18.3644 178.9131 122 L 4.3552 7.7637 116.0502 55.1522 42.0680 178.0562 123 G 3.9297 8.5435 106.5340 45.6276 0.0000 173.0749 124 T 4.0287 7.6870 116.5221 61.7694 69.1153 173.4443 125 P 4.4404 0.0000 0.0000 62.7478 31.3071 176.8889 126 G 3.8875 8.5970 113.5950 47.2680 0.0000 173.1250 127 S 4.1178 8.0656 114.7051 61.6561 62.4581 176.4485 128 S 4.1656 8.0228 117.6095 61.4025 62.4080 176.8417 129 V 3.5301 7.5846 120.4557 65.8451 31.2780 177.7092 130 A 4.0110 8.1851 120.6294 55.1492 18.2021 179.7318 131 V 3.6238 7.7634 116.3918 66.0004 31.6082 178.5088 132 G 3.4991 7.9835 105.3408 47.7554 0.0000 175.6527 133 V 3.7989 8.1297 121.6086 65.8158 31.5690 178.3137 134 G 3.5908 8.4982 105.6489 47.7265 0.0000 175.8258 135 K 3.9436 7.8952 120.6682 59.5378 32.0689 179.3870 136 M 3.9933 8.0346 119.0251 57.9359 31.7452 178.5617 137 K 2.0000 7.7274 120.1183 58.8411 32.3573 178.3019 138 E 3.7504 7.7674 119.0268 59.2685 29.6564 178.6687 139 A 3.9236 7.8804 120.4748 54.9447 18.3802 179.3783 140 A 3.9563 8.4026 119.5707 55.4562 18.4885 179.9089 141 L 3.9409 8.0715 117.3951 57.9069 41.4463 179.6603 142 A 4.0955 7.6961 119.4928 55.0578 18.4072 179.5386 143 I 3.8358 7.6233 118.3565 64.5236 36.9929 178.7876 144 V 3.6604 7.8095 118.1233 65.7944 31.4738 176.9454 145 N 4.8438 8.2926 113.5477 52.3008 38.6206 174.5562 146 D 4.4180 7.4127 122.1464 53.4558 41.1816 174.4485 147 P 4.3698 0.0000 0.0000 64.3057 31.8334 176.6575 148 A 4.0491 7.9478 122.8701 53.1920 18.7814 177.2862 149 G 4.0282 8.6267 109.5507 45.7327 0.0000 173.1826 150 I 4.3590 7.3849 115.2407 59.3435 40.9275 173.7348 151 T 3.9036 8.5178 123.3408 62.9403 68.5451 172.6387 152 P 4.3050 0.0000 0.0000 62.7187 31.6877 175.7043 153 G 3.7684 7.7231 107.5664 46.0935 0.0000 171.3516 154 D 4.6739 8.5506 119.0476 53.2736 41.3454 175.2577 155 C 4.7825 8.4141 123.7596 59.5705 29.2602 176.0195 156 S 4.0975 8.2552 118.1705 61.7764 62.4109 176.3810 157 A 3.9724 7.9237 124.0958 54.4882 18.0847 179.2134 158 L 3.8697 7.8721 118.1724 58.2906 42.3212 178.7794 159 A 4.0066 8.4258 121.1425 55.3565 18.2309 179.8931 160 S 4.0449 8.0046 113.3816 61.5861 62.7862 176.3821 161 E 3.6503 7.9710 121.7271 59.1871 29.4298 178.9880 162 I 3.8507 8.0035 119.7668 64.4746 37.2191 178.2570 163 A 4.2619 8.1892 121.8264 55.2537 18.0512 179.7992 164 S 4.1169 8.0985 112.8281 61.8208 62.9516 176.4867 165 Y 4.3363 7.3169 120.4529 60.8846 37.6240 178.2033 166 F 4.1959 8.2818 118.6285 60.6706 38.9329 177.4565 167 D 4.4688 8.7832 119.0156 57.4311 40.6404 178.8944 168 R 3.9492 8.4390 118.6170 59.3190 30.2312 178.9476 169 A 4.0425 8.0206 120.4010 55.2989 18.3783 179.5343 170 C 4.2108 8.2485 114.9516 63.0783 28.1122 176.3154 171 A 4.1215 8.1810 120.4511 54.6260 17.9580 179.0825 172 A 4.1466 7.8321 118.7883 54.1936 18.7218 179.0674 173 V 4.3128 7.4733 107.9856 61.5173 32.5467 176.3314 174 S 4.3758 7.8713 119.5434 58.7269 62.7806 173.8706 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.22 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 2 F 8.73 4.97 0.00 3.25 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 3 D 9.35 5.09 0.00 3.05 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 4 A 8.56 3.90 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.88 4.22 0.00 3.31 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 6 T 9.17 4.09 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 1.39 0.00 0.00 7 K 8.11 3.16 0.00 1.92 1.89 0.00 0.74 0.00 0.00 1.33 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.30 7.81 8 V 7.29 3.69 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 0.93 0.00 0.00 0.89 0.00 0.00 9 V 7.69 3.59 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.00 0.00 0.00 10 S 8.17 4.12 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.77 3.94 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 12 A 8.02 4.03 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 13 D 8.47 4.25 0.00 2.79 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.76 3.90 4.41 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 1.21 0.00 0.00 15 R 7.37 4.47 0.00 2.04 1.95 0.00 3.31 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 16 G 8.18 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 0.00 0.00 0.00 0.00 17 E 8.13 4.77 0.00 1.92 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 2.22 2.40 0.00 18 M 8.28 4.40 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 19 L 8.37 4.01 0.00 1.64 1.63 0.96 0.90 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 20 S 8.40 4.47 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.37 3.91 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 1.26 0.00 0.00 22 A 7.94 4.00 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 23 Q 8.03 3.97 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 24 I 7.88 3.80 2.01 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 1.00 0.93 0.00 0.00 25 D 8.61 4.37 0.00 2.80 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 26 A 7.95 3.98 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 27 L 7.92 3.96 0.00 1.99 1.92 1.10 0.81 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 28 S 8.24 4.22 0.00 4.09 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 29 Q 7.77 3.92 0.00 2.04 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 30 M 7.74 4.09 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 31 V 7.96 3.64 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 1.01 0.00 0.00 1.20 0.00 0.00 32 A 8.06 4.12 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 33 E 7.69 4.59 0.00 2.05 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 2.22 2.36 0.00 34 S 7.84 4.18 0.00 3.95 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 35 N 8.11 4.34 0.00 2.79 2.92 0.00 0.00 7.18 7.12 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 36 K 7.87 3.96 0.00 1.88 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 37 R 7.97 3.93 0.00 1.87 2.10 0.00 3.07 0.00 0.00 3.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 38 L 8.15 4.16 0.00 1.90 1.76 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.16 4.36 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.05 4.03 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 41 V 7.78 3.59 2.39 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 1.11 0.00 0.00 1.19 0.00 0.00 42 N 8.26 4.34 0.00 2.90 2.98 0.00 0.00 7.30 7.24 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 43 R 8.46 3.96 0.00 2.02 2.01 0.00 3.24 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 44 I 8.10 3.96 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.39 1.00 0.00 0.00 45 T 8.05 3.87 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 1.20 0.00 0.00 46 S 8.41 4.40 0.00 3.83 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 47 N 7.72 4.99 0.00 2.79 2.75 0.00 0.00 6.70 8.35 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 48 A 8.20 4.00 1.35 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 57 R 8.13 3.84 0.00 1.92 2.03 0.00 3.12 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 1.63 1.68 0.00 58 S 8.03 4.06 0.00 3.92 3.92 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 59 L 7.75 3.82 0.00 1.65 1.34 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.45 4.65 0.00 3.09 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 61 A 7.94 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.96 4.27 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 63 Q 8.31 4.67 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 64 P 0.00 4.46 0.00 2.22 2.34 0.00 3.81 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 65 Q 8.18 4.04 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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 77 T 7.16 3.00 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 0.73 0.00 0.00 78 S 8.50 4.00 0.00 3.80 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 79 R 7.87 3.88 0.00 1.83 1.88 0.00 3.17 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 80 R 7.72 3.96 0.00 1.97 1.93 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 81 M 8.05 3.94 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 82 A 8.40 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 83 A 8.04 3.95 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 84 C 8.50 4.08 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.67 1.78 0.00 2.92 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.75 0.00 94 Y 7.78 3.56 0.00 2.97 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 95 V 7.55 3.42 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.57 0.00 0.00 96 T 7.70 3.91 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 1.23 0.00 0.00 97 Y 7.73 4.28 0.00 3.17 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 98 A 7.78 4.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.61 3.76 2.35 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 0.96 0.00 0.00 1.20 0.00 0.00 100 F 8.34 4.26 0.00 3.17 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 0.00 101 A 8.89 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.07 4.12 0.00 3.91 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 0.00 128 S 8.02 4.17 0.00 4.04 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 0.00 129 V 7.58 3.53 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 1.23 0.00 0.00 0.49 0.00 0.00 130 A 8.19 4.01 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 0.00 131 V 7.76 3.62 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 1.01 0.00 0.00 1.00 0.00 0.00 132 G 7.98 3.50 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 0.00 133 V 8.13 3.80 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 1.33 0.00 0.00 1.10 0.00 0.00 134 G 8.50 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.90 3.94 0.00 1.93 1.79 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.58 7.81 136 M 8.03 3.99 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.73 0.00 137 K 7.73 2.00 0.00 1.01 1.65 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.15 0.95 7.81 138 E 7.77 3.75 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 139 A 7.88 3.92 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 0.00 140 A 8.40 3.96 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 0.00 141 L 8.07 3.94 0.00 1.64 1.72 0.88 1.17 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 0.00 142 A 7.70 4.10 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 0.00 143 I 7.62 3.84 2.07 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 1.41 0.85 0.97 0.00 0.00 144 V 7.81 3.66 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.06 0.00 0.00 145 N 8.29 4.84 0.00 2.76 2.83 0.00 0.00 7.01 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 7.41 4.42 0.00 2.73 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 0.00 147 P 0.00 4.37 0.00 2.22 2.16 0.00 3.82 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 1.99 1.96 0.00 148 A 7.95 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 0.00 149 G 8.63 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 0.00 150 I 7.38 4.36 1.88 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 1.42 0.61 1.02 0.00 0.00 151 T 8.52 3.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 152 P 0.00 4.31 0.00 2.17 2.07 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 153 G 7.72 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 0.00 0.00 0.00 154 D 8.55 4.67 0.00 2.62 2.60 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 0.00 155 C 8.41 4.78 0.00 3.01 2.89 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 0.00 156 S 8.26 4.10 0.00 4.00 4.21 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 0.00 0.00 0.00 0.00 157 A 7.92 3.97 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 0.00 158 L 7.87 3.87 0.00 1.77 1.89 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.43 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 0.00 160 S 8.00 4.04 0.00 4.04 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 0.00 161 E 7.97 3.65 0.00 2.10 2.01 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 1.86 2.20 0.00 162 I 8.00 3.85 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.15 1.19 0.00 0.00 163 A 8.19 4.26 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 0.00 164 S 8.10 4.12 0.00 3.96 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 0.00 165 Y 7.32 4.34 0.00 2.99 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 0.00 166 F 8.28 4.20 0.00 3.34 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 0.00 167 D 8.78 4.47 0.00 2.87 2.76 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 0.00 168 R 8.44 3.95 0.00 2.16 2.05 0.00 3.38 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 169 A 8.02 4.04 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 0.00 170 C 8.25 4.21 0.00 3.20 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 0.00 171 A 8.18 4.12 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 0.00 172 A 7.83 4.15 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 0.00 173 V 7.47 4.31 2.35 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 1.10 0.00 0.00 1.18 0.00 0.00 174 S 7.87 4.38 0.00 3.89 3.80 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.