NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3882 8.1585 120.3189 55.3541 34.7793 177.1682 2 A 3.6777 7.9970 121.6822 54.6047 19.1062 174.5227 3 V 3.4128 8.4122 117.5671 65.7629 32.1104 174.8032 4 P 4.2547 0.0000 0.0000 65.4279 31.2126 178.6633 5 L 3.9899 8.1376 118.3526 57.4815 41.4207 179.2013 6 L 3.9888 8.4047 120.6601 58.5745 42.0432 179.2547 7 T 3.8353 7.9433 115.6079 66.3511 68.0717 176.6047 8 K 3.9323 7.9045 120.9954 59.1763 32.4186 178.6274 9 K 4.0755 7.6641 118.5093 59.4793 31.9917 178.7765 10 I 3.6520 7.7506 117.7552 64.2631 38.0963 177.7733 11 V 3.7401 7.5841 117.6812 65.4827 31.3776 177.1187 12 K 4.1036 7.7685 118.9235 59.2790 34.1522 176.7595 13 K 4.1819 8.2293 113.6179 55.2133 28.9400 179.2232 14 R 4.1599 8.9641 131.6180 56.8791 29.8794 177.1294 15 V 3.7869 7.7596 126.2431 61.6053 29.9872 175.5779 16 K 3.7458 7.4653 124.7672 58.9216 32.7768 176.5422 17 Q 3.3527 7.1721 118.1507 56.3836 26.9058 173.5372 18 F 4.3940 7.5778 122.4909 56.1415 38.0341 175.1448 19 K 4.7937 8.2269 126.3763 54.6071 33.7676 175.8546 20 R 3.9912 8.6903 125.0851 55.6343 31.2644 174.1205 21 P 4.4537 0.0000 0.0000 63.2565 32.4852 175.5430 22 H 4.4053 8.9914 116.1269 55.3472 27.3239 176.8974 23 S 4.1907 7.8380 116.6459 62.1587 62.5554 175.9821 24 D 4.2213 8.2107 119.6721 56.0664 39.2582 177.7323 25 R 4.3623 7.8530 116.2634 56.4454 30.4370 175.7027 26 Y 4.9791 7.5056 116.5699 55.9499 40.7967 176.6533 27 I 3.7652 8.7118 125.8690 64.4381 37.5877 177.7330 28 G 3.6443 8.0704 107.8682 48.1679 0.0000 173.8094 29 L 3.9756 7.4333 122.1202 54.7467 42.3293 176.4256 30 K 4.4071 8.3612 127.0746 55.4351 33.6528 176.3155 31 T 4.0660 8.3683 117.1200 64.2925 67.6484 174.6866 32 S 4.4491 8.0675 114.6512 58.2455 62.7325 173.3619 33 W 4.4061 8.7870 135.0000 57.2740 31.2239 175.4160 34 R 4.3631 6.8439 123.0109 53.7284 33.2644 175.0009 35 R 3.8242 8.2034 121.9346 55.0060 30.5509 173.6650 36 P 4.0509 0.0000 0.0000 63.1249 30.8929 176.0320 37 K 4.0584 8.5844 123.4231 59.2527 33.5535 178.3223 38 G 3.7265 7.8332 108.8274 44.9330 0.0000 173.8911 39 I 3.7347 8.3682 122.7966 63.9716 38.1695 177.2170 40 D 4.3598 7.9653 118.3296 56.4343 41.1397 177.1717 41 S 3.9077 7.4505 112.1921 59.1413 63.3167 175.3376 42 R 3.2558 8.4046 127.8750 59.0364 29.9839 179.1803 43 V 3.7383 7.5821 117.6772 65.9152 31.3915 177.8568 44 R 3.9230 7.7773 117.6629 59.5435 30.0184 178.5493 45 R 3.9372 7.5312 116.5492 56.8647 30.0871 176.4603 46 K 4.1077 7.9834 118.3404 57.3502 30.6818 176.2198 47 F 4.5875 7.8741 113.7953 56.7136 39.6594 175.5199 48 K 4.2565 8.3645 123.3722 57.7741 32.4830 177.7479 49 G 4.0592 9.0396 111.1823 45.7085 0.0000 173.7889 50 C 4.3446 7.4916 115.4898 59.6878 28.3685 169.5926 51 T 3.5203 8.0683 125.6480 62.5179 67.7373 171.8913 52 L 4.2852 8.6070 126.0390 55.2034 42.3688 176.8572 53 M 3.9817 8.2531 121.0537 53.1538 33.3030 174.4326 54 P 3.1937 0.0000 0.0000 62.5022 32.1149 175.5498 55 N 4.8615 6.3833 118.8341 50.6610 43.0949 175.2226 56 I 3.6958 8.3599 113.2397 64.0515 37.6298 178.6355 57 G 3.7966 8.1644 108.6547 48.1900 0.0000 174.0999 58 Y 4.0393 8.4008 117.3148 60.8341 38.0177 176.7426 59 G 4.0060 7.6198 107.3615 44.5461 0.0000 173.3365 60 S 4.5575 8.2541 116.3710 56.7687 64.8230 174.1128 61 D 4.5132 8.2941 120.4205 53.9515 42.1170 177.6495 62 K 3.9708 8.5713 124.3107 59.5286 32.4163 178.7582 63 K 4.1426 8.0117 118.8727 59.6739 32.2634 178.3265 64 T 4.1895 7.8817 108.1710 62.7993 69.1123 174.5471 65 R 3.7047 8.0375 122.5870 57.4532 31.1196 176.9434 66 H 4.2838 6.9181 116.5948 57.9279 25.0818 174.1736 67 Y 4.6425 7.2114 117.0433 55.7186 41.3340 176.5248 68 L 4.3560 8.4302 124.6709 54.1215 42.8814 176.3647 69 P 4.5209 0.0000 0.0000 65.2205 31.4203 177.9423 70 N 4.3361 8.0527 114.6645 54.5159 38.5864 175.8156 71 K 3.9521 8.5988 117.8764 55.8853 31.8913 175.8852 72 F 4.6131 7.6994 115.8144 57.5211 40.8150 174.2407 73 K 4.5258 8.6350 122.7425 55.2734 33.4573 175.6360 74 K 5.0520 8.5278 126.1709 55.9991 34.5226 175.5572 75 F 4.7945 8.9395 124.6686 56.3455 42.4885 173.9346 76 V 4.3058 7.6069 126.4171 62.5124 32.5084 175.2586 77 V 4.4576 8.9503 127.4360 60.5011 33.1325 176.3218 78 H 4.3005 9.1678 123.6559 58.2441 29.1708 174.5228 79 N 4.8591 7.5482 114.1464 52.1043 39.4787 174.3819 80 V 3.4999 8.5123 116.1320 66.5466 32.1885 179.1121 81 S 4.1511 8.2009 115.7598 61.7084 62.7412 176.3664 82 E 4.0638 7.8992 120.6426 59.1326 29.0709 179.3148 83 L 3.9880 7.9488 119.4374 57.5242 41.6776 179.0002 84 E 3.8755 8.0824 119.3539 59.3127 29.6951 178.9385 85 L 3.8471 7.6786 118.4189 57.7349 41.7157 179.3456 86 L 3.8577 7.5992 118.7473 57.8822 41.2780 179.2375 87 M 4.7513 8.0188 119.1651 58.2067 32.1926 177.6268 88 M 4.1136 7.5150 117.4175 58.9434 32.8230 177.6983 89 H 4.2560 7.8704 115.7200 59.5204 27.5447 175.2453 90 N 4.4738 9.2646 117.7757 54.8756 38.3724 177.0816 91 R 4.2799 7.9976 119.1308 59.9882 31.4129 178.7197 92 T 4.1663 8.3546 114.3249 66.1453 68.6707 173.8305 93 Y 5.3128 7.5564 114.5045 56.2846 41.2654 174.9346 94 C 4.8463 9.5166 121.2826 57.5873 34.9801 172.2364 95 A 5.3270 8.5102 124.7123 50.0941 21.4103 175.2969 96 E 4.6135 9.0313 122.5527 54.3599 32.3638 174.8074 97 I 4.6497 8.4173 127.8449 60.2836 38.0840 175.8694 98 A 4.0875 8.4036 128.5582 52.1854 19.0333 178.0660 99 H 4.0770 8.9396 119.8636 59.3315 30.3496 176.6478 100 N 4.4554 8.2669 115.6410 56.0474 38.5870 175.9738 101 V 3.5787 7.1498 116.6654 63.5090 32.0500 176.4583 102 S 4.5648 8.3497 122.4551 57.6804 63.8531 175.3812 103 T 3.8287 8.2277 116.2977 65.3486 66.8008 176.1794 104 R 3.9861 7.8850 118.7641 59.2582 30.2904 178.4523 105 K 4.0912 7.9916 118.7919 59.5413 32.3890 178.8139 106 R 4.0055 8.1523 118.5858 58.9166 29.9833 178.6649 107 K 3.8608 7.5202 118.4776 59.6952 32.1367 178.6063 108 E 4.1580 7.8452 116.2663 59.5048 29.4077 179.1569 109 I 3.7048 7.6713 120.3211 63.9921 37.1632 178.3598 110 V 3.8373 7.9230 120.3042 65.4486 31.2666 177.9700 111 E 3.9731 8.1116 117.3265 59.4362 29.4539 179.0168 112 R 4.4308 8.3198 120.8829 58.5474 30.1027 178.3196 113 A 3.9642 8.4223 120.8294 55.0100 18.2934 179.4482 114 A 3.9054 7.8189 118.8967 55.5390 18.6097 179.8485 115 Q 3.9632 7.8473 116.5556 59.1829 28.5383 179.1574 116 L 4.0555 7.6617 118.8601 55.5517 41.6820 177.0828 117 D 4.5972 8.2272 117.4844 55.6842 38.8393 174.8421 118 I 4.3626 7.3016 116.1229 60.0823 36.7428 176.7322 119 V 3.7026 7.4462 119.6177 63.0357 31.9978 175.4943 120 V 3.9630 8.4465 116.5111 62.4278 35.2469 173.2477 121 T 3.3820 8.5232 115.7101 64.2418 67.4690 173.6001 122 N 4.2692 9.3017 118.8248 56.5659 38.9054 176.7409 123 K 3.9519 7.9695 120.4878 59.3947 32.2802 178.6077 124 L 3.9174 7.8273 118.4622 57.8766 41.7437 179.1351 125 A 3.9821 8.1786 120.8288 55.1818 18.2526 179.6704 126 R 3.8447 8.2595 117.4077 59.4919 29.7429 178.5749 127 L 4.0212 8.0073 120.1681 57.9980 41.8026 179.0184 128 R 3.9946 8.0028 117.7417 59.3133 30.0200 178.5850 129 S 4.2415 7.9238 112.2006 61.8423 62.4391 175.0397 130 Q 4.1230 8.2242 124.6186 57.4071 28.8247 177.8652 *131 E 4.5935 9.1636 117.3393 55.4109 33.8041 178.2450 *132 D 5.4552 8.9033 112.4236 51.7635 41.6794 179.5564 *133 E 4.2978 8.3338 114.1287 57.1956 29.8603 176.7521 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 8.16 4.39 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 2 A 8.00 3.68 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.41 3.41 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 1.00 0.00 0.00 0.84 0.00 0.00 4 P 0.00 4.25 0.00 2.16 2.05 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 5 L 8.14 3.99 0.00 1.61 1.68 0.91 0.61 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 6 L 8.40 3.99 0.00 1.54 1.69 0.88 0.80 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 7 T 7.94 3.84 4.32 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 1.19 0.00 0.00 8 K 7.90 3.93 0.00 1.74 1.99 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 9 K 7.66 4.08 0.00 1.93 1.80 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.46 7.81 10 I 7.75 3.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.95 0.00 0.00 11 V 7.58 3.74 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 12 K 7.77 4.10 0.00 1.72 1.93 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.50 7.81 13 K 8.23 4.18 0.00 1.92 1.40 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.51 7.81 14 R 8.96 4.16 0.00 1.97 1.96 0.00 3.09 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 15 V 7.76 3.79 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 0.65 0.00 0.00 0.88 0.00 0.00 16 K 7.47 3.75 0.00 1.64 1.31 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.29 7.81 17 Q 7.17 3.35 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.90 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 18 F 7.58 4.39 0.00 2.87 2.34 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 19 K 8.23 4.79 0.00 1.86 1.83 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.72 7.81 20 R 8.69 3.99 0.00 2.14 1.87 0.00 3.01 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 21 P 0.00 4.45 0.00 1.86 1.96 0.00 3.33 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.23 0.00 22 H 8.99 4.41 0.00 3.28 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.84 4.19 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 24 D 8.21 4.22 0.00 2.89 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 25 R 7.85 4.36 0.00 1.76 1.91 0.00 3.16 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 26 Y 7.51 4.98 0.00 2.97 2.34 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 27 I 8.71 3.77 1.86 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 1.36 0.75 0.92 0.00 0.00 28 G 8.07 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 3.98 0.00 1.83 1.94 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.36 4.41 0.00 1.74 1.69 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.60 7.81 31 T 8.37 4.07 4.28 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 1.26 0.00 0.00 32 S 8.07 4.45 0.00 3.92 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 33 W 8.79 4.41 0.00 3.73 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 34 R 6.84 4.36 0.00 1.44 1.51 0.00 3.18 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 35 R 8.20 3.82 0.00 1.85 1.81 0.00 3.39 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 36 P 0.00 4.05 0.00 2.16 2.03 0.00 3.90 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 37 K 8.58 4.06 0.00 1.84 2.03 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 38 G 7.83 3.73 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 0.00 0.00 0.00 39 I 8.37 3.73 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.89 0.00 0.00 40 D 7.97 4.36 0.00 2.65 2.67 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 0.00 0.00 0.00 0.00 41 S 7.45 3.91 0.00 3.85 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 42 R 8.40 3.26 0.00 1.74 1.61 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 43 V 7.58 3.74 2.12 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 1.36 0.00 0.00 1.08 0.00 0.00 44 R 7.78 3.92 0.00 1.79 2.07 0.00 3.38 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 45 R 7.53 3.94 0.00 1.05 1.82 0.00 2.69 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 46 K 7.98 4.11 0.00 2.12 2.05 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.49 7.81 47 F 7.87 4.59 0.00 3.25 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 48 K 8.36 4.26 0.00 1.75 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.48 7.81 49 G 9.04 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 0.00 0.00 0.00 50 C 7.49 4.34 0.00 3.35 3.10 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 51 T 8.07 3.52 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 1.34 0.00 0.00 52 L 8.61 4.29 0.00 1.97 2.00 0.97 0.98 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 53 M 8.25 3.98 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.83 0.00 54 P 0.00 3.19 0.00 1.75 1.32 0.00 3.15 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.48 0.00 55 N 6.38 4.86 0.00 2.60 2.60 0.00 0.00 6.88 7.10 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 56 I 8.36 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.88 0.00 0.00 57 G 8.16 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 0.00 0.00 0.00 58 Y 8.40 4.04 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.62 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 60 S 8.25 4.56 0.00 4.01 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 61 D 8.29 4.51 0.00 2.72 2.63 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 62 K 8.57 3.97 0.00 1.74 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 63 K 8.01 4.14 0.00 1.80 1.83 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.51 7.81 64 T 7.88 4.19 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 1.26 0.00 0.00 65 R 8.04 3.70 0.00 2.13 1.86 0.00 3.07 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 66 H 6.92 4.28 0.00 3.15 3.37 0.00 5.69 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 67 Y 7.21 4.64 0.00 3.14 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 68 L 8.43 4.36 0.00 1.85 1.68 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.52 0.00 2.11 2.12 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 70 N 8.05 4.34 0.00 2.96 3.17 0.00 0.00 7.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.60 3.95 0.00 1.57 1.66 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.67 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.75 0.79 7.81 72 F 7.70 4.61 0.00 3.13 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 73 K 8.63 4.53 0.00 1.17 0.74 0.00 1.68 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.32 0.94 7.81 74 K 8.53 5.05 0.00 1.86 1.85 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.42 7.81 75 F 8.94 4.79 0.00 3.25 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 76 V 7.61 4.31 1.73 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 0.64 0.00 0.00 0.76 0.00 0.00 77 V 8.95 4.46 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 0.79 0.00 0.00 1.00 0.00 0.00 78 H 9.17 4.30 0.00 3.21 3.42 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.55 4.86 0.00 2.84 2.94 0.00 0.00 5.88 7.68 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 80 V 8.51 3.50 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 0.98 0.00 0.00 0.94 0.00 0.00 81 S 8.20 4.15 0.00 3.92 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 82 E 7.90 4.06 0.00 2.14 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 0.00 2.60 2.76 0.00 83 L 7.95 3.99 0.00 1.93 1.70 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.08 3.88 0.00 2.01 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 2.25 2.32 0.00 85 L 7.68 3.85 0.00 1.47 1.39 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.60 3.86 0.00 1.80 1.67 0.99 0.27 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 87 M 8.02 4.75 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.39 0.00 88 M 7.51 4.11 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 89 H 7.87 4.26 0.00 3.46 3.74 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.26 4.47 0.00 2.90 2.82 0.00 0.00 7.16 7.53 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 91 R 8.00 4.28 0.00 1.90 2.10 0.00 3.43 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 92 T 8.35 4.17 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 93 Y 7.56 5.31 0.00 2.75 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 94 C 9.52 4.85 0.00 2.68 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 95 A 8.51 5.33 1.24 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 0.00 0.00 0.00 96 E 9.03 4.61 0.00 2.05 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 0.00 2.18 2.25 0.00 97 I 8.42 4.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.91 0.00 0.00 98 A 8.40 4.09 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 99 H 8.94 4.08 0.00 3.09 3.35 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.27 4.46 0.00 2.76 2.89 0.00 0.00 6.81 7.68 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 0.00 101 V 7.15 3.58 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 0.80 0.00 0.00 1.00 0.00 0.00 102 S 8.35 4.56 0.00 3.90 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 0.00 103 T 8.23 3.83 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 0.00 104 R 7.88 3.99 0.00 1.82 1.98 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 105 K 7.99 4.09 0.00 1.86 1.80 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.73 7.81 106 R 8.15 4.01 0.00 2.05 1.96 0.00 3.18 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 107 K 7.52 3.86 0.00 1.86 1.82 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 108 E 7.85 4.16 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 109 I 7.67 3.70 2.03 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 1.53 0.68 0.92 0.00 0.00 110 V 7.92 3.84 2.20 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 1.11 0.00 0.00 0.98 0.00 0.00 111 E 8.11 3.97 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.31 0.00 112 R 8.32 4.43 0.00 2.04 2.13 0.00 3.18 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 113 A 8.42 3.96 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 0.00 114 A 7.82 3.91 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 0.00 115 Q 7.85 3.96 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 116 L 7.66 4.06 0.00 1.78 1.72 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.23 4.60 0.00 2.83 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 0.00 118 I 7.30 4.36 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.93 0.00 0.00 119 V 7.45 3.70 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 0.74 0.00 0.00 0.90 0.00 0.00 120 V 8.45 3.96 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 0.04 0.00 0.00 0.84 0.00 0.00 121 T 8.52 3.38 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 1.25 0.00 0.00 122 N 9.30 4.27 0.00 3.00 2.84 0.00 0.00 6.83 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.97 3.95 0.00 1.84 1.78 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.53 7.81 124 L 7.83 3.92 0.00 2.02 1.70 0.92 0.75 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 0.00 125 A 8.18 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 0.00 126 R 8.26 3.84 0.00 1.88 1.93 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 127 L 8.01 4.02 0.00 1.82 1.77 0.92 1.03 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 0.00 128 R 8.00 3.99 0.00 1.94 1.99 0.00 3.39 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 129 S 7.92 4.24 0.00 3.87 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 0.00 130 Q 8.22 4.12 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 *131 E 9.16 4.59 0.00 2.01 1.49 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 2.15 2.12 0.00 *132 D 8.90 5.46 0.00 2.78 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 *133 E 8.33 4.30 0.00 1.98 1.74 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 2.20 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.