NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3339 8.1749 110.9408 60.9211 70.1193 173.4904 4 I 3.6280 8.1583 124.1260 60.2452 37.6477 173.9800 5 P 4.3502 0.0000 0.0000 63.2965 32.7401 176.6569 6 L 4.4893 8.4769 120.7043 55.0957 42.1051 179.0430 7 S 4.2518 7.9921 115.4193 61.5840 62.9407 176.3067 8 R 3.8947 7.9663 121.9894 59.0027 29.8310 178.3312 9 L 3.9407 7.8286 118.2508 57.8336 41.6268 179.2933 10 F 4.1262 8.2708 117.7234 60.6973 38.8609 177.4913 11 D 4.4203 8.4135 118.5497 57.4817 40.1215 178.6386 12 N 4.3801 8.2537 116.7469 56.1312 38.5908 177.4390 13 A 4.0468 8.3056 122.5394 55.4518 18.4722 179.6551 14 M 4.0363 8.4384 117.4368 58.0240 32.1022 178.7246 15 L 3.9974 7.8943 120.6463 58.3923 42.3224 179.3829 16 R 3.9443 7.7084 116.6193 59.0342 29.8799 178.9437 17 A 3.9548 8.0391 120.6906 55.4543 18.3028 179.4371 18 H 4.1749 8.2270 114.7482 58.9726 28.7554 178.0525 19 R 3.8786 7.9195 120.0971 59.3812 29.9072 178.5399 20 L 3.9464 8.0197 118.8211 57.9910 41.5214 178.9878 21 H 4.0215 8.3691 118.3365 59.2072 29.8251 177.0868 22 Q 3.8262 8.3263 121.6636 59.1283 28.9134 178.1507 23 L 4.0305 8.0845 119.7908 57.7969 41.6856 179.4098 24 A 4.1585 8.0981 120.6526 55.1551 18.2753 179.4931 25 F 3.9126 8.4163 119.3359 61.6338 39.5341 177.1787 26 D 4.5433 8.4623 118.5776 57.6663 40.6111 178.9609 27 T 4.0771 8.1587 116.4454 66.5731 68.3977 176.2544 28 Y 3.9534 8.1395 121.5196 60.6711 38.8839 177.7455 29 Q 3.8924 8.1098 120.4034 59.1865 29.0545 177.6840 30 E 3.8721 8.2205 120.1342 59.3702 29.6028 178.3147 31 F 4.1586 8.1097 120.3156 61.4752 39.5172 176.5403 32 E 3.6177 8.2829 118.8529 59.4437 29.1617 178.7245 33 E 3.8443 7.9537 116.9390 58.9323 29.4988 178.8178 34 A 3.8029 7.4516 119.7936 54.0879 19.0152 177.7977 35 Y 4.2463 7.0049 111.3453 57.6634 38.8864 175.8613 36 I 4.1622 7.0031 119.9221 57.9859 39.0407 174.2305 37 P 4.3535 0.0000 0.0000 61.7613 33.2656 177.4402 38 K 3.5694 8.4018 119.5228 60.1013 32.1984 178.8631 39 E 3.9695 8.0076 122.4725 59.6423 29.6195 179.1176 40 Q 4.2077 7.8423 121.7347 59.1083 28.2093 180.5105 41 K 4.3508 7.9307 120.8885 59.9391 32.2243 178.4204 42 Y 4.4924 7.7231 117.1776 61.1966 37.4132 178.8209 43 S 4.1952 8.1998 114.9933 61.5560 62.8995 176.1804 44 F 4.1329 8.5953 124.8797 60.9847 39.0068 177.0302 45 L 4.0057 8.4334 116.6901 57.0784 41.5791 178.8873 46 Q 4.1833 8.2532 117.4867 56.5516 28.9240 175.4254 47 N 4.5430 7.1567 119.5319 51.4605 39.6418 173.1147 48 P 4.2066 0.0000 0.0000 62.5980 30.9250 177.0538 *51 S 3.9285 8.0410 125.1877 57.9048 63.3804 174.1444 52 L 5.3116 7.2142 121.5134 52.8445 41.5177 178.1854 53 C 4.6986 8.5683 121.6445 56.1275 40.9564 175.2602 54 F 4.1151 8.8609 117.0202 59.9414 37.5042 176.3259 55 S 4.6466 7.1016 113.3609 57.9385 63.0975 175.3381 56 E 4.1082 8.2040 122.3506 58.7594 29.2946 179.1062 57 S 4.1194 7.9809 112.8842 60.3854 63.5256 174.3723 58 I 4.0449 7.7133 123.2420 59.4526 37.3782 173.6085 59 P 4.3121 0.0000 0.0000 62.4406 31.6093 175.7711 60 T 4.2868 8.1325 113.6783 58.3994 69.9715 171.9688 61 P 4.4104 0.0000 0.0000 62.9703 31.7994 176.1180 62 S 4.9746 8.5420 113.4769 57.1671 64.1399 173.5814 63 N 5.1029 7.8708 117.1863 50.6928 41.3386 174.6079 64 R 3.9347 8.7252 123.8056 60.4261 30.0805 179.2253 65 E 3.9796 8.1644 117.3229 61.3884 29.6039 180.7067 66 E 4.3404 8.4958 118.6901 59.2265 29.7094 179.5335 67 T 3.9671 7.8623 115.8220 66.7718 68.4719 176.8664 68 Q 4.1614 8.1075 117.8275 58.1753 28.7545 178.2634 69 Q 4.1086 7.6379 118.8027 57.3783 29.0889 176.9301 70 K 4.2531 7.2015 119.2507 55.9286 32.8236 177.4989 71 S 4.4821 9.1569 117.9714 57.8498 65.2537 175.4142 72 N 4.3568 8.5520 119.0869 56.5674 38.2537 177.7528 73 L 4.1534 7.9467 119.9037 57.6517 41.7135 179.2644 74 E 3.8691 8.3880 118.6717 59.5179 29.4588 179.4465 75 L 3.7704 7.8484 118.9467 57.6129 41.5066 179.6482 76 L 4.0918 8.1748 119.1766 57.6353 41.5501 179.4810 77 R 3.8574 8.2037 118.8613 59.4115 29.9982 178.6584 78 I 3.6694 7.9884 120.0295 64.5040 37.0845 178.5476 79 S 4.2665 8.2094 116.0520 61.4457 62.6291 176.5453 80 L 3.9743 8.2615 123.2417 58.3367 41.9201 179.1594 81 L 4.1505 8.0091 118.8982 57.6076 41.2701 179.5354 82 L 4.1551 7.9829 118.3556 57.9086 41.9180 179.2710 83 I 4.0461 7.9092 119.6925 64.7207 36.9655 178.6371 84 Q 3.9851 8.3678 118.7707 58.9180 28.2428 178.9261 85 S 4.5880 8.2639 115.3060 60.5427 63.2526 175.5520 86 W 4.7696 8.2678 120.2297 56.6809 29.1396 177.9829 87 L 4.2377 7.8654 122.4960 58.3300 41.4891 179.3889 88 E 4.2988 8.1045 117.3212 60.5018 30.1809 178.6315 89 P 4.9793 0.0000 0.0000 65.2613 31.2629 178.9804 90 V 3.8561 8.1252 117.9277 64.8908 31.0433 178.2611 91 Q 4.3670 7.8984 119.0459 57.4831 28.2202 177.4747 92 F 4.7405 7.7970 117.2456 57.9712 39.1638 175.5798 93 L 4.5096 7.8073 118.5370 54.3880 42.4346 178.1080 94 R 4.0002 7.9035 121.5610 59.8931 29.9914 178.8323 95 S 4.1650 8.0017 113.3504 61.2811 63.0957 175.8839 96 V 3.5546 7.7631 121.3363 66.2913 30.9512 178.0131 97 F 4.6230 8.1693 116.2372 60.1739 38.7988 177.2726 98 A 4.3300 8.0528 122.5029 55.4320 18.4286 179.4541 99 N 4.5602 8.0432 115.8451 55.3577 38.2544 178.5110 100 S 4.8065 6.9797 111.4398 58.8439 62.9831 173.6990 101 L 4.4622 9.5625 125.8808 54.5434 41.9778 176.9663 102 V 3.7423 8.4910 124.1714 62.8773 31.7360 175.6060 *103 Y 4.1727 8.4192 126.6094 58.5001 36.9318 172.9669 104 G 3.8649 9.1177 113.6902 43.9455 0.0000 172.8823 105 A 4.0842 7.5888 123.4941 51.3461 18.6918 177.5313 106 S 4.7495 7.6982 116.6047 56.5114 67.0202 174.9471 107 D 4.4526 8.9660 126.1776 57.3041 39.1854 179.6232 108 S 4.2812 8.1689 122.0392 63.8500 62.4305 179.3248 109 N 4.5411 8.0427 123.4465 57.2331 37.3352 179.2685 110 V 3.6642 7.7838 120.9938 65.8582 31.6478 177.1480 111 Y 4.1028 8.6745 120.2306 61.0657 38.4696 178.0040 112 D 4.3083 8.3276 119.3850 57.3747 40.8718 178.6947 113 L 3.9380 7.7559 119.2145 57.8952 41.6875 179.6995 114 L 3.9542 7.9057 118.5514 57.7278 41.6013 179.6749 115 K 3.7442 7.6630 118.3050 59.3596 31.9944 178.7110 116 D 4.2373 8.0712 118.2033 57.3563 41.0709 178.1069 117 L 3.8895 8.0882 120.9191 58.0100 42.0940 178.2000 118 E 3.9029 8.5749 119.6384 59.6904 29.4752 178.8049 119 E 3.9895 8.0859 118.2036 59.5281 29.4678 179.6642 120 R 3.8977 7.9031 118.0470 59.0725 30.0102 179.2347 121 I 3.6715 8.0341 119.9617 64.4508 37.2692 178.3022 122 Q 4.0108 8.0687 118.8756 59.4992 28.5398 179.3190 123 T 3.8914 8.0933 116.6203 66.5933 68.3021 176.7780 124 L 3.8869 7.8915 120.9832 57.9840 41.3604 179.4817 125 M 4.2509 8.1894 118.1572 58.0309 31.9937 178.7636 126 G 3.7374 7.8963 105.7563 47.9481 0.0000 176.0920 127 R 4.0528 7.9112 119.2072 57.7197 30.0769 178.0548 128 L 4.7154 7.3293 119.0674 54.0428 42.4290 176.8512 129 T 3.6255 7.0787 111.2131 60.8308 69.0851 177.9027 *136 G 3.9021 8.5211 114.2548 44.2697 0.0000 172.9719 137 Q 3.9459 8.9433 124.5681 59.5728 28.6854 178.9966 138 I 3.3496 7.7764 117.2535 64.1057 37.8861 176.8434 139 F 4.4650 8.0697 118.3663 59.2025 39.0406 177.8632 140 K 4.3629 8.5180 124.0832 58.0229 32.2418 182.5789 141 Q 4.4291 7.6538 116.4410 55.8914 29.5797 173.7217 142 T 4.6829 7.8191 112.2052 59.7778 70.2650 172.3371 143 Y 4.4972 7.9938 119.8855 56.4519 39.0473 175.5258 144 S 4.4905 8.7435 117.3481 58.4245 63.7429 173.7090 145 K 4.8086 8.4933 121.8458 54.6437 34.3453 175.5845 146 F 4.6751 8.1739 126.2367 56.5452 41.8318 178.3185 147 D 4.4703 7.6834 122.3227 52.6746 38.8245 175.4631 148 T 3.4767 7.5810 106.5866 65.1991 68.9264 175.6292 *155 A 4.3889 8.3022 122.5697 51.0111 21.4359 178.8095 156 L 4.3827 7.8538 118.1447 57.3496 42.5876 178.7598 157 L 4.5023 8.0347 123.8613 58.9845 41.2688 183.8735 158 K 4.4110 8.0322 122.1159 60.2822 31.8140 183.6672 159 N 4.5465 7.9611 117.3964 56.1775 38.4526 177.0291 160 Y 4.0394 8.1485 121.2701 60.4615 38.8860 178.2767 161 G 3.9000 8.3060 106.7053 47.8542 0.0000 175.6588 162 L 4.2282 7.9219 121.4801 57.6785 41.7170 179.7096 163 L 4.0254 8.0699 118.8704 57.7570 41.5643 178.8079 164 Y 3.6756 8.3585 119.5811 61.0691 38.7645 177.8436 165 C 4.4975 8.6506 117.3164 59.9097 41.0835 175.9071 166 F 3.3453 8.6207 122.6487 60.7986 38.7725 176.9966 167 R 3.4879 7.7601 118.2998 59.3606 29.8009 177.9776 168 R 3.3962 7.0936 117.6567 59.7632 29.9702 178.0791 169 D 4.4448 8.0481 118.1314 57.7361 40.8790 178.8482 170 M 3.8637 7.7388 119.2594 58.3061 31.8076 178.8908 171 T 3.4377 7.6833 116.1377 66.6423 68.4967 176.1118 172 Y 3.7858 7.3312 118.4233 60.9127 37.8173 178.8888 173 V 3.5086 7.6605 118.7474 66.0139 31.7632 177.8470 174 A 3.9025 7.8942 120.4157 55.3533 18.1468 179.8627 175 T 3.7991 7.5619 113.6468 67.1320 68.4808 176.6865 176 Y 4.4483 8.0798 119.0044 61.2026 37.8296 178.8191 177 L 4.1473 8.3067 120.1383 57.6484 41.6606 179.4336 178 R 3.8784 7.9686 118.4498 59.4054 30.1336 178.4476 179 I 3.6663 7.8273 119.6134 64.5269 37.2807 178.5576 180 V 3.6857 7.5971 118.7447 65.9197 31.3529 177.4893 181 Q 2.5954 7.7560 119.2278 59.3128 28.5934 177.8624 182 C 4.3947 7.9019 117.3835 59.4736 40.3522 176.0525 183 R 3.8695 7.7197 117.4699 57.8375 29.9052 177.9768 184 S 4.6733 7.5046 112.8957 57.1642 64.3906 174.0358 185 V 4.2350 6.9775 122.1847 62.2424 33.9641 176.7337 186 E 3.0745 7.8754 120.6114 55.4815 30.7593 177.6361 187 G 4.3268 8.6105 112.7987 45.3607 0.0000 175.7403 188 S 4.1985 8.4340 116.5750 60.8793 63.6138 174.9845 189 C 5.2512 9.0567 116.4584 54.8867 40.1102 172.3050 190 G 2.7138 9.0444 104.9054 47.6162 0.0000 173.3374 191 F 4.7822 7.3799 124.9528 58.5170 38.4114 175.9421 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 T 8.17 4.33 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 4 I 8.16 3.63 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 1.42 0.16 0.91 0.00 0.00 5 P 0.00 4.35 0.00 2.05 2.01 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 6 L 8.48 4.49 0.00 1.90 1.98 1.11 0.82 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 7 S 7.99 4.25 0.00 4.08 4.17 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 8 R 7.97 3.89 0.00 1.91 1.97 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 9 L 7.83 3.94 0.00 1.84 1.47 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.27 4.13 0.00 3.08 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 11 D 8.41 4.42 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.25 4.38 0.00 2.87 2.85 0.00 0.00 6.91 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.31 4.05 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 14 M 8.44 4.04 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.90 0.00 15 L 7.89 4.00 0.00 1.91 1.87 0.94 0.97 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 16 R 7.71 3.94 0.00 1.92 1.94 0.00 3.33 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 17 A 8.04 3.95 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 18 H 8.23 4.17 0.00 3.39 3.31 0.00 5.63 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 19 R 7.92 3.88 0.00 2.09 2.10 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 20 L 8.02 3.95 0.00 1.80 1.56 0.91 0.94 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 21 H 8.37 4.02 0.00 3.13 3.43 0.00 5.61 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 22 Q 8.33 3.83 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 23 L 8.08 4.03 0.00 2.08 1.79 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.10 4.16 0.97 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 0.00 0.00 25 F 8.42 3.91 0.00 3.15 2.98 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 0.00 0.00 0.00 26 D 8.46 4.54 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.16 4.08 4.56 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 1.40 0.00 0.00 28 Y 8.14 3.95 0.00 3.10 2.98 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 0.00 0.00 0.00 29 Q 8.11 3.89 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 30 E 8.22 3.87 0.00 2.20 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 2.35 2.33 0.00 31 F 8.11 4.16 0.00 3.22 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 32 E 8.28 3.62 0.00 1.70 1.69 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 2.20 2.19 0.00 33 E 7.95 3.84 0.00 2.04 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 0.00 2.29 2.42 0.00 34 A 7.45 3.80 0.33 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 35 Y 7.00 4.25 0.00 2.08 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.00 4.16 1.55 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.24 0.54 0.00 0.00 37 P 0.00 4.35 0.00 2.06 1.88 0.00 3.48 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 38 K 8.40 3.57 0.00 1.42 1.86 0.00 1.47 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.35 7.81 39 E 8.01 3.97 0.00 2.02 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 2.42 2.34 0.00 40 Q 7.84 4.21 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.36 1.84 0.00 41 K 7.93 4.35 0.00 1.79 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.66 1.75 7.81 42 Y 7.72 4.49 0.00 3.07 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 43 S 8.20 4.20 0.00 4.19 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.60 4.13 0.00 3.46 3.47 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 45 L 8.43 4.01 0.00 1.79 1.79 1.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.25 4.18 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 47 N 7.16 4.54 0.00 2.58 2.72 0.00 0.00 7.20 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 48 P 0.00 4.21 0.00 2.18 2.04 0.00 3.79 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 1.93 1.92 0.00 *51 S 8.04 3.93 0.00 3.68 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 52 L 7.21 5.31 0.00 1.62 1.69 0.91 1.14 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 53 C 8.57 4.70 0.00 3.01 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 54 F 8.86 4.12 0.00 3.36 3.32 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 55 S 7.10 4.65 0.00 3.98 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 56 E 8.20 4.11 0.00 2.07 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 0.00 2.38 2.62 0.00 57 S 7.98 4.12 0.00 3.98 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 58 I 7.71 4.04 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.91 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 1.24 0.00 0.00 68 Q 8.11 4.16 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 69 Q 7.64 4.11 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 70 K 7.20 4.25 0.00 1.74 1.64 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.64 1.31 7.81 71 S 9.16 4.48 0.00 4.03 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 72 N 8.55 4.36 0.00 2.80 2.98 0.00 0.00 6.81 6.74 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 73 L 7.95 4.15 0.00 1.83 1.98 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.39 3.87 0.00 1.98 1.90 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 2.50 2.48 0.00 75 L 7.85 3.77 0.00 1.96 1.68 0.32 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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84 Q 8.37 3.99 0.00 2.11 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 85 S 8.26 4.59 0.00 4.12 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 86 W 8.27 4.77 0.00 3.77 3.45 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 87 L 7.87 4.24 0.00 1.72 1.84 0.88 0.87 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 88 E 8.10 4.30 0.00 1.97 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 2.28 1.96 0.00 89 P 0.00 4.98 0.00 1.76 1.56 0.00 3.70 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 1.74 2.02 0.00 90 V 8.13 3.86 2.43 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 1.14 0.00 0.00 0.95 0.00 0.00 91 Q 7.90 4.37 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.19 2.53 0.00 92 F 7.80 4.74 0.00 3.30 3.16 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 9.56 4.46 0.00 1.73 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.49 3.74 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 0.97 0.00 0.00 1.03 0.00 0.00 *103 Y 8.42 4.17 0.00 2.37 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 0.00 0.00 0.00 0.00 104 G 9.12 3.86 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 0.00 0.00 0.00 105 A 7.59 4.08 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 0.00 106 S 7.70 4.75 0.00 4.02 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 0.00 107 D 8.97 4.45 0.00 3.00 3.18 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 0.00 0.00 0.00 0.00 108 S 8.17 4.28 0.00 3.76 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 0.00 109 N 8.04 4.54 0.00 2.74 2.86 0.00 0.00 6.76 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 0.00 110 V 7.78 3.66 1.90 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 0.93 0.00 0.00 0.41 0.00 0.00 111 Y 8.67 4.10 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.31 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.76 3.94 0.00 1.88 1.71 0.90 0.63 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 0.00 114 L 7.91 3.95 0.00 1.72 1.70 1.10 1.01 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 0.00 115 K 7.66 3.74 0.00 1.51 1.69 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.10 1.32 7.81 116 D 8.07 4.24 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.09 3.89 0.00 1.90 1.63 0.91 1.13 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 0.00 118 E 8.57 3.90 0.00 1.99 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 2.37 0.00 119 E 8.09 3.99 0.00 2.05 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 2.31 2.52 0.00 120 R 7.90 3.90 0.00 1.85 1.91 0.00 3.10 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 121 I 8.03 3.67 1.88 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 1.54 0.72 0.94 0.00 0.00 122 Q 8.07 4.01 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 123 T 8.09 3.89 4.31 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 1.16 0.00 0.00 124 L 7.89 3.89 0.00 1.92 1.61 0.24 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.19 4.25 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.62 0.00 126 G 7.90 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 0.00 127 R 7.91 4.05 0.00 1.93 2.01 0.00 3.28 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 128 L 7.33 4.72 0.00 1.59 1.71 1.08 0.97 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 0.00 129 T 7.08 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 1.21 0.00 0.00 *136 G 8.52 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 0.00 0.00 0.00 137 Q 8.94 3.95 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 138 I 7.78 3.35 1.71 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.03 0.24 0.00 0.00 139 F 8.07 4.46 0.00 3.12 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.52 4.36 0.00 1.81 1.71 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.30 7.81 141 Q 7.65 4.43 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 142 T 7.82 4.68 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 143 Y 7.99 4.50 0.00 3.27 3.02 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 0.00 0.00 0.00 144 S 8.74 4.49 0.00 4.16 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 0.00 145 K 8.49 4.81 0.00 1.70 1.68 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.33 1.50 7.81 146 F 8.17 4.68 0.00 1.51 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.68 4.47 0.00 2.73 2.38 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 0.00 148 T 7.58 3.48 4.07 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 1.06 0.00 0.00 *155 A 8.30 4.39 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 0.00 156 L 7.85 4.38 0.00 1.68 1.66 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.03 4.50 0.00 1.69 1.65 0.92 0.78 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 0.00 158 K 8.03 4.41 0.00 1.76 1.84 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.09 7.81 159 N 7.96 4.55 0.00 2.84 2.59 0.00 0.00 6.63 7.27 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 0.00 160 Y 8.15 4.04 0.00 3.21 2.88 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 0.00 161 G 8.31 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 0.00 0.00 0.00 162 L 7.92 4.23 0.00 2.01 1.82 0.91 0.08 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 0.00 163 L 8.07 4.03 0.00 1.70 1.92 0.33 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 8.36 3.68 0.00 3.26 3.33 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 0.00 165 C 8.65 4.50 0.00 3.57 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.62 3.35 0.00 2.15 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 0.00 167 R 7.76 3.49 0.00 1.61 1.32 0.00 2.52 0.00 0.00 2.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 168 R 7.09 3.40 0.00 1.54 1.91 0.00 3.23 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.35 0.00 169 D 8.05 4.44 0.00 2.86 2.88 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 0.00 170 M 7.74 3.86 0.00 1.66 1.56 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 0.00 171 T 7.68 3.44 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 0.95 0.00 0.00 172 Y 7.33 3.79 0.00 2.95 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 0.00 173 V 7.66 3.51 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 1.08 0.00 0.00 1.01 0.00 0.00 174 A 7.89 3.90 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 0.00 175 T 7.56 3.80 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 0.00 176 Y 8.08 4.45 0.00 2.93 2.90 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 0.00 177 L 8.31 4.15 0.00 1.73 1.82 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 178 R 7.97 3.88 0.00 2.03 2.09 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 179 I 7.83 3.67 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.10 0.91 0.00 0.00 180 V 7.60 3.69 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 1.18 0.00 0.00 1.06 0.00 0.00 181 Q 7.76 2.60 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 182 C 7.90 4.39 0.00 2.92 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 R 7.72 3.87 0.00 1.77 1.96 0.00 3.12 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 184 S 7.50 4.67 0.00 3.55 3.98 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 0.00 0.00 0.00 185 V 6.98 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 1.00 0.00 0.00 0.85 0.00 0.00 186 E 7.88 3.07 0.00 2.02 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 2.30 2.42 0.00 187 G 8.61 4.33 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 0.00 188 S 8.43 4.20 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 C 9.06 5.25 0.00 2.92 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 0.00 190 G 9.04 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 0.00 0.00 0.00 191 F 7.38 4.78 0.00 3.04 3.02 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.