NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 M 4.3820 8.3049 120.3480 55.5387 32.1937 174.7770 17 E 4.3659 8.3249 126.3360 53.6359 30.2304 174.2086 18 L 4.2825 8.8963 124.2239 54.1924 43.6431 176.4975 19 R 4.6204 8.2203 119.5329 54.1785 33.6883 174.7414 20 A 4.4576 8.4131 122.1670 51.2795 19.6151 177.0628 21 A 4.8036 8.5628 124.8849 51.6062 20.0699 175.2953 22 T 4.7619 7.6653 106.4737 61.2233 71.7844 173.3092 23 K 4.4876 8.3542 121.5353 54.6515 35.4583 175.8948 24 L 4.4289 8.4836 124.0813 53.5559 42.0456 176.1823 25 T 4.2933 8.3672 116.6575 61.7883 70.4832 174.4161 *26 E 4.7195 8.6203 122.7437 54.3325 32.4833 173.2089 27 E 4.0198 8.7351 126.2614 55.8872 30.6472 176.6743 28 K 4.6297 8.7602 126.9717 56.1939 33.2886 175.2014 29 Y 4.9079 9.5456 128.9381 56.0521 41.4965 173.6365 30 E 5.0454 8.6113 126.3608 54.9833 31.4014 175.4537 31 L 4.8018 8.5498 122.6183 53.1460 46.9670 175.4431 32 K 5.0688 10.6271 119.8655 54.4138 34.5320 176.4314 33 E 4.2216 8.5822 121.2905 58.2571 29.6706 177.1366 34 G 4.3386 9.4568 110.5681 45.1519 0.0000 173.5365 35 Q 4.3590 7.7587 117.8952 55.8060 31.4810 174.7599 36 T 5.0210 8.1075 115.0264 61.4563 71.3385 173.6475 37 L 4.4143 8.7431 129.7816 55.0077 43.2461 175.0409 38 D 5.1233 8.8549 126.7046 52.6808 42.7990 174.7405 39 V 4.2970 9.0662 127.6183 60.7886 34.4309 174.4260 40 K 4.6781 8.5372 126.4877 55.0106 34.0736 176.5659 41 C 4.5388 9.4275 125.1089 55.6120 41.3092 173.2468 42 D 5.0594 8.9637 125.8298 53.7826 40.4346 175.2369 43 Y 4.2459 8.6007 124.2217 57.1991 39.2935 179.5716 44 T 2.9963 8.2245 111.0473 63.0793 70.0389 171.3855 45 L 3.8201 8.5693 118.6193 54.8386 42.2459 178.2873 46 E 4.0614 9.0700 124.5075 59.2679 29.2302 178.5596 47 K 3.7047 7.9459 117.4146 59.1982 32.2813 177.8487 48 F 5.1801 8.2253 116.7616 56.8618 39.0287 177.3095 49 A 4.2277 8.2014 122.7092 54.8083 18.5223 178.8829 50 S 4.4523 7.9139 109.8254 60.1558 64.7243 173.9839 51 S 4.5387 8.0099 118.3151 58.4878 63.9655 173.5790 52 Q 4.2838 8.6038 124.6609 56.2235 30.2234 174.8484 53 K 5.4487 8.5950 123.6217 55.2388 37.2269 174.5539 54 A 4.9952 8.9413 121.5317 51.2833 23.5379 174.8176 55 W 5.3173 9.3718 129.8098 55.9833 33.0755 174.8224 56 Q 4.9163 8.6032 124.9872 54.0961 33.2493 173.5729 57 I 4.1690 8.2041 121.3568 59.1609 40.3638 174.2662 58 I 4.3525 8.4310 130.7618 60.4277 38.1706 175.8414 59 R 4.5024 8.4428 126.1220 53.9713 33.1653 175.3814 60 D 4.2761 8.5121 119.5804 56.3600 41.0617 176.9906 61 G 3.7438 8.7443 109.4923 46.6073 0.0000 173.0530 62 E 3.6234 8.1767 115.1033 57.3454 27.0908 175.0244 63 M 4.5090 7.4855 119.8906 53.1680 32.9663 174.2262 64 P 4.8578 0.0000 0.0000 62.0682 33.2976 175.6801 65 K 4.4411 8.6470 122.9313 54.7272 34.6326 175.2650 66 T 4.3012 8.5917 125.1720 63.9402 68.1338 174.5120 67 L 4.4767 9.0821 127.8437 56.6098 42.9004 177.3514 68 A 4.6658 7.6602 116.9948 51.2084 22.1498 175.0635 69 C 5.3619 8.6648 115.4897 56.5011 33.1152 173.9033 70 T 4.2570 8.7259 112.1228 61.2952 69.9043 173.5398 71 E 4.2427 8.4469 121.7843 55.6302 30.6311 175.8932 72 R 4.5859 8.0265 119.7835 53.8985 32.0533 173.3919 73 P 4.6095 0.0000 0.0000 62.4421 33.0322 175.4218 74 S 4.5558 8.7307 115.8686 57.2997 62.6834 173.4952 75 K 4.3336 8.4909 127.4082 54.7124 32.9908 176.1336 76 N 3.7847 8.9346 121.3631 55.8313 39.6344 174.6863 77 S 3.6586 8.3873 121.1612 60.6175 61.1313 173.7449 78 H 4.8163 7.0884 116.5978 53.6695 28.8284 171.2550 79 P 4.1624 0.0000 0.0000 60.5245 31.7993 175.9890 80 V 4.2406 9.1797 126.5712 61.3913 33.1224 174.3347 81 Q 5.2791 8.6399 127.1738 54.0004 31.5705 175.9666 82 V 4.3031 8.5585 123.4605 61.0931 35.0074 174.2234 83 G 3.7102 8.5708 114.6573 47.0787 0.0000 174.0084 84 R 4.6611 8.4346 116.9346 56.0371 30.9408 175.2568 85 I 4.8349 7.9151 120.9314 60.6672 39.5872 174.8294 86 I 4.9423 8.7611 127.7863 59.3541 40.5239 174.4080 87 L 5.0711 8.9609 126.7829 52.8995 45.0155 175.5026 88 E 4.5609 8.7799 122.4146 54.6209 33.5014 174.1309 89 D 4.7189 8.4441 125.5718 53.4840 42.7396 174.8462 90 Y 4.9198 8.5904 125.8137 56.6719 37.3487 176.2218 91 H 4.3892 9.4844 121.6355 59.0441 29.3932 176.7001 92 D 4.5967 8.6394 116.8292 56.9295 38.7059 177.7561 93 H 4.3916 8.3179 114.3524 54.9586 29.5804 175.1255 94 G 3.4823 8.8079 108.5608 45.6403 0.0000 172.9750 95 L 4.9180 7.4054 116.9646 53.8436 44.6005 174.4085 96 L 4.9537 9.3479 123.5788 53.6340 44.1723 174.9028 97 R 4.6872 8.9078 127.8680 55.1698 31.6937 174.8782 98 V 4.5749 8.9249 127.3004 60.9662 34.2168 174.3579 99 R 4.9796 8.5457 125.9524 54.5535 34.2799 174.2983 100 M 5.0118 8.8656 123.2595 53.4124 34.3538 175.2986 101 V 4.1977 8.7315 124.8525 62.4497 32.8343 175.5292 102 N 4.3496 8.6168 121.6011 52.9288 37.0255 173.1607 103 L 4.5019 8.5835 120.5213 54.9956 43.1386 176.9692 104 Q 4.9141 9.3672 120.8536 53.6328 32.2949 176.7667 105 V 3.8201 8.5520 120.2087 66.4835 31.4495 177.7799 106 E 4.2914 8.0657 116.2715 58.0037 29.5181 177.3572 107 D 4.6544 8.4592 118.8426 56.2450 41.2128 176.9762 108 S 4.4526 7.7489 115.1492 58.4330 63.6195 174.6515 109 G 3.8181 8.0804 109.2897 46.4848 0.0000 170.1341 110 L 5.0120 7.4071 121.6842 53.8715 43.5650 175.2210 111 Y 4.9746 9.1591 124.1989 56.3986 42.0457 174.3960 112 Q 4.7745 7.8095 116.3616 55.6477 32.0798 173.0972 113 C 5.2584 8.7162 118.4021 56.6338 43.3582 173.1556 114 V 4.7302 8.7222 119.8592 61.7611 35.1256 173.2493 115 I 4.8719 8.2747 127.9350 59.5448 38.8780 174.9317 116 Y 4.0814 9.3748 126.6434 58.1422 37.9999 175.7845 117 Q 4.7538 8.4345 122.8836 52.8291 32.2543 173.6312 118 P 4.5021 0.0000 0.0000 61.9286 32.0093 175.7711 119 P 4.3157 0.0000 0.0000 65.6984 31.2290 177.6023 120 K 4.1571 8.0658 117.0225 57.5137 32.4613 176.4353 121 E 4.6837 7.4504 115.8505 53.4673 31.6263 174.0844 122 P 4.4150 0.0000 0.0000 63.0168 31.9982 175.7027 123 H 4.8959 8.5748 118.7724 54.6507 30.1159 174.6095 124 M 4.3242 8.8308 124.6429 54.1506 32.5117 175.6564 125 L 4.6749 8.0999 123.6510 52.7007 44.2544 176.3797 126 F 4.4631 8.4951 121.1466 57.0205 39.9422 175.2899 127 D 4.7275 8.5723 123.2033 54.4781 41.8578 176.3718 128 R 4.6327 8.4637 120.0629 55.7958 32.3912 175.3004 129 I 4.8165 8.7768 122.0730 59.8232 40.0920 175.0722 130 R 4.6844 9.4226 128.9660 54.7401 30.6753 173.8810 131 L 4.8437 9.1878 129.1925 54.4876 43.8263 175.4311 132 V 4.6228 9.0243 126.3669 61.2293 33.9533 173.9431 133 V 4.8041 8.7545 129.4808 61.8302 32.3377 175.1915 134 T 4.7861 8.5930 117.6185 59.5443 72.1278 173.6078 135 L 4.6642 8.3366 121.9218 54.3745 42.9484 177.2061 136 E 4.1305 8.4792 119.2776 56.8598 29.4402 177.0141 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 16 M 8.30 4.38 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 17 E 8.32 4.37 0.00 2.02 1.84 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 2.19 2.39 0.00 18 L 8.90 4.28 0.00 1.63 1.58 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.22 4.62 0.00 1.74 1.79 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 20 A 8.41 4.46 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.56 4.80 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.67 4.76 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 1.20 0.00 0.00 23 K 8.35 4.49 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.42 7.81 24 L 8.48 4.43 0.00 1.62 1.63 0.92 0.96 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 25 T 8.37 4.29 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *26 E 8.62 4.72 0.00 1.73 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 2.10 1.86 0.00 27 E 8.74 4.02 0.00 2.11 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 2.37 2.44 0.00 28 K 8.76 4.63 0.00 1.82 1.78 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.42 7.81 29 Y 9.55 4.91 0.00 2.97 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 30 E 8.61 5.05 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 31 L 8.55 4.80 0.00 1.47 1.41 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 32 K 10.63 5.07 0.00 1.79 1.69 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.61 7.81 33 E 8.58 4.22 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 34 G 9.46 4.34 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 0.00 35 Q 7.76 4.36 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 36 T 8.11 5.02 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 1.19 0.00 0.00 37 L 8.74 4.41 0.00 1.74 1.50 0.74 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.85 5.12 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 9.07 4.30 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.75 0.00 0.00 40 K 8.54 4.68 0.00 1.63 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.40 7.81 41 C 9.43 4.54 0.00 2.78 2.40 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 42 D 8.96 5.06 0.00 2.73 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 43 Y 8.60 4.25 0.00 3.22 3.56 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 44 T 8.22 3.00 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 1.27 0.00 0.00 45 L 8.57 3.82 0.00 1.87 1.50 0.99 0.75 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 46 E 9.07 4.06 0.00 2.04 1.94 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 2.39 2.44 0.00 47 K 7.95 3.70 0.00 0.80 1.49 0.00 1.40 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.33 7.81 48 F 8.23 5.18 0.00 3.14 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 49 A 8.20 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 50 S 7.91 4.45 0.00 3.89 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 51 S 8.01 4.54 0.00 4.00 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 52 Q 8.60 4.28 0.00 1.90 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 1.61 2.21 0.00 53 K 8.59 5.45 0.00 1.70 1.73 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.25 1.47 7.81 54 A 8.94 5.00 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 55 W 9.37 5.32 0.00 3.27 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.60 4.92 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 57 I 8.20 4.17 1.35 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.98 0.83 0.00 0.00 58 I 8.43 4.35 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.85 0.82 0.00 0.00 59 R 8.44 4.50 0.00 1.75 1.79 0.00 3.24 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 60 D 8.51 4.28 0.00 2.63 2.59 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 61 G 8.74 3.74 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 0.00 0.00 0.00 62 E 8.18 3.62 0.00 2.08 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 2.19 2.22 0.00 63 M 7.49 4.51 0.00 1.89 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.42 0.00 64 P 0.00 4.86 0.00 2.05 1.94 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 65 K 8.65 4.44 0.00 1.75 1.61 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.36 7.81 66 T 8.59 4.30 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 1.32 0.00 0.00 67 L 9.08 4.48 0.00 1.84 1.90 1.20 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.66 4.67 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 69 C 8.66 5.36 0.00 2.94 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 70 T 8.73 4.26 4.20 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 1.22 0.00 0.00 71 E 8.45 4.24 0.00 2.10 1.91 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 2.28 2.28 0.00 72 R 8.03 4.59 0.00 1.75 1.70 0.00 3.19 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 73 P 0.00 4.61 0.00 2.10 2.05 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 74 S 8.73 4.56 0.00 3.90 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 75 K 8.49 4.33 0.00 1.50 1.37 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.37 7.81 76 N 8.93 3.78 0.00 2.61 2.76 0.00 0.00 7.44 7.63 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 77 S 8.39 3.66 0.00 4.04 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 78 H 7.09 4.82 0.00 3.16 3.21 0.00 5.93 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.16 0.00 1.92 1.96 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 80 V 9.18 4.24 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 1.01 0.00 0.00 0.97 0.00 0.00 81 Q 8.64 5.28 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.47 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 82 V 8.56 4.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 83 G 8.57 3.71 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 0.00 0.00 0.00 84 R 8.43 4.66 0.00 1.95 2.13 0.00 3.12 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 85 I 7.92 4.83 2.07 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.89 0.00 0.00 86 I 8.76 4.94 1.77 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 1.18 0.71 0.85 0.00 0.00 87 L 8.96 5.07 0.00 1.65 1.45 0.78 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.78 4.56 0.00 1.41 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 89 D 8.44 4.72 0.00 2.67 2.47 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 90 Y 8.59 4.92 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 9.48 4.39 0.00 3.34 3.46 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.64 4.60 0.00 2.67 2.85 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 93 H 8.32 4.39 0.00 3.16 3.38 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.81 3.48 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 0.00 95 L 7.41 4.92 0.00 1.75 1.66 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 96 L 9.35 4.95 0.00 1.87 1.58 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.91 4.69 0.00 1.92 1.70 0.00 3.30 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 98 V 8.92 4.57 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 -0.90 0.00 0.00 0.54 0.00 0.00 99 R 8.55 4.98 0.00 1.62 1.64 0.00 3.06 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 100 M 8.87 5.01 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 101 V 8.73 4.20 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 1.06 0.00 0.00 0.90 0.00 0.00 102 N 8.62 4.35 0.00 2.93 2.72 0.00 0.00 7.69 6.66 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 0.00 103 L 8.58 4.50 0.00 1.73 1.60 0.96 0.85 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 0.00 104 Q 9.37 4.91 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 105 V 8.55 3.82 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 1.01 0.00 0.00 0.94 0.00 0.00 106 E 8.07 4.29 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 107 D 8.46 4.65 0.00 2.85 2.85 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 0.00 108 S 7.75 4.45 0.00 3.85 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 0.00 109 G 8.08 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.41 5.01 0.00 1.61 1.38 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.16 4.97 0.00 2.63 1.55 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 0.00 112 Q 7.81 4.77 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 113 C 8.72 5.26 0.00 2.03 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 0.00 114 V 8.72 4.73 2.08 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 0.74 0.00 0.00 0.95 0.00 0.00 115 I 8.27 4.87 1.52 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.53 0.00 0.00 116 Y 9.37 4.08 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.43 4.75 0.00 1.49 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 118 P 0.00 4.50 0.00 2.26 2.22 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 119 P 0.00 4.32 0.00 2.21 2.26 0.00 3.80 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 2.02 2.02 0.00 120 K 8.07 4.16 0.00 1.79 1.92 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 121 E 7.45 4.68 0.00 2.12 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 2.47 2.36 0.00 122 P 0.00 4.42 0.00 2.11 2.05 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 123 H 8.57 4.90 0.00 3.08 3.18 0.00 5.71 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 0.00 124 M 8.83 4.32 0.00 1.71 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 125 L 8.10 4.67 0.00 1.57 1.54 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.50 4.46 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 0.00 127 D 8.57 4.73 0.00 2.65 2.80 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 0.00 128 R 8.46 4.63 0.00 1.76 1.90 0.00 3.07 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 129 I 8.78 4.82 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.15 1.06 0.00 0.00 130 R 9.42 4.68 0.00 1.90 1.90 0.00 3.10 0.00 0.00 3.13 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 131 L 9.19 4.84 0.00 2.09 1.83 1.03 1.13 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 0.00 132 V 9.02 4.62 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 133 V 8.75 4.80 2.18 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 0.86 0.00 0.00 1.01 0.00 0.00 134 T 8.59 4.79 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 1.21 0.00 0.00 135 L 8.34 4.66 0.00 1.55 1.64 0.92 1.01 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 0.00 136 E 8.48 4.13 0.00 1.92 1.85 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 2.33 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.