NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9545 8.3549 109.7299 45.6470 0.0000 174.8789 17 I 3.8023 7.2757 123.9063 62.8302 38.0855 175.9267 18 T 4.1168 7.8636 116.8893 62.7095 69.8569 174.4772 19 G 3.7459 7.6069 112.7228 44.9927 0.0000 170.5710 20 T 4.7814 7.5701 116.2400 61.5697 70.6616 174.1088 21 W 5.1171 9.2514 125.8543 55.0161 33.2626 174.0293 22 Y 5.5713 9.5765 120.6982 56.4294 41.1940 175.3867 23 N 5.0916 9.4062 121.3412 50.5218 39.6065 175.9962 24 Q 3.9544 8.5759 116.2322 58.9232 28.6458 177.0693 25 L 4.3535 8.0818 116.5667 54.4795 41.6649 177.4710 26 G 4.0668 8.4437 108.0541 45.3716 0.0000 174.6521 27 S 4.4916 8.5764 116.4095 58.7696 63.7020 172.9391 28 T 5.0908 8.4425 119.2932 62.0489 70.8147 173.3751 29 F 4.8485 9.7485 126.2068 55.6807 41.9296 174.5191 30 I 4.7004 8.5147 125.7658 59.7776 38.8087 174.9084 31 V 4.7193 8.7302 127.7346 61.1794 34.4766 174.1653 32 T 4.7777 8.8594 124.3994 61.6682 71.1624 173.1031 33 A 4.5988 8.7686 129.5735 50.3633 19.7407 177.3209 34 G 3.8143 9.3777 111.9960 45.2532 0.0000 173.7017 35 A 3.9580 8.7103 124.2568 54.9194 18.7266 178.2804 36 D 4.7137 7.9080 111.9052 52.7119 40.8804 176.0920 37 G 3.1109 8.3446 106.7222 44.9618 0.0000 171.1277 38 A 4.6580 7.8095 121.7058 51.4459 20.0765 176.7523 39 L 5.2690 9.2377 122.3609 53.2621 44.2384 175.9344 40 T 4.9800 9.6439 112.9654 59.4899 72.9713 174.4884 41 G 3.9859 6.8256 105.6818 46.1761 0.0000 171.3033 42 T 5.0841 7.5008 108.1480 60.0200 72.9437 172.5222 43 A 4.6003 8.6273 124.2948 50.1020 22.0212 175.2160 44 E 5.3877 8.9018 118.3785 55.7640 33.1049 176.1637 *52 S 4.4927 8.6250 113.4347 57.5710 64.7835 172.8018 53 R 4.8771 7.5167 120.9515 55.0170 31.7637 174.3443 54 Y 4.8594 8.4812 121.0896 56.0212 42.6830 174.5780 55 V 4.3156 8.4818 121.7375 62.5340 32.6800 175.0908 56 L 5.0916 8.6811 127.7622 54.3741 43.5014 175.1784 57 T 4.8618 8.7098 114.7173 61.2208 71.3850 173.2888 58 G 4.1149 8.7981 112.9696 46.5673 0.0000 172.0459 59 R 6.0300 8.8191 118.1186 54.6363 35.1497 173.8135 60 Y 5.2745 8.1200 117.3547 55.5813 41.6041 174.2954 61 D 4.3151 9.0583 120.6220 54.1208 40.7057 176.7320 62 S 4.4574 8.1790 120.6308 58.9091 63.9579 174.4763 63 A 4.6721 8.3483 123.8003 50.1272 18.5656 173.9163 64 P 4.6935 0.0000 0.0000 60.7285 32.7732 177.2461 65 A 4.1962 8.3645 122.1905 52.8513 18.9725 177.7031 66 T 4.3207 8.3150 109.2154 62.9045 69.9160 176.6567 67 D 4.2804 8.1527 118.8705 54.4878 39.0274 177.3312 68 G 3.9896 8.5262 109.1910 45.5339 0.0000 174.6062 69 S 4.2690 8.1631 115.7101 58.3414 63.3143 174.0657 70 G 4.0121 8.3257 110.0310 46.3191 0.0000 172.7922 71 T 4.7795 8.7689 116.5141 61.6244 70.1845 174.8642 72 A 4.8101 8.6602 129.2873 52.1109 20.0219 175.8824 73 L 4.9354 9.2919 120.8551 55.4303 44.7537 174.0950 74 G 4.5504 9.1031 105.1368 45.2323 0.0000 171.9484 75 W 5.9153 8.5828 117.1729 55.4802 32.5187 173.5562 76 T 5.4128 9.5137 116.3068 61.8979 72.4198 173.5068 77 V 4.5957 8.9295 123.7560 61.0169 34.6498 173.9835 78 A 4.4128 8.3809 129.8373 49.9378 19.8137 178.0711 79 W 4.0553 8.2307 126.0793 55.5810 28.1846 176.4090 80 K 5.3127 7.7539 118.1889 54.7188 35.3408 174.5478 81 N 4.9781 9.1679 124.7526 52.1902 39.1021 173.8039 82 N 4.3998 8.5859 113.6439 54.9029 39.0921 174.9942 83 Y 4.6203 8.6660 115.7303 58.3490 40.2120 175.9440 84 R 4.7725 7.9674 113.8030 54.5756 32.6530 173.4826 85 N 5.2790 8.5430 116.5471 52.5234 41.1291 173.7980 86 A 4.4039 9.2627 128.4996 51.6755 19.6546 176.0673 87 H 4.2301 8.8661 113.5556 56.2576 26.9823 174.1086 88 S 5.2495 7.7470 110.6217 57.5081 66.8887 172.8706 89 A 5.1061 9.1977 121.1967 50.8280 22.9313 175.2203 90 T 5.0914 9.0582 117.5878 61.8016 72.0807 173.2858 91 T 5.1132 8.7664 115.7087 59.7070 72.0338 172.7267 92 W 5.0364 8.9402 124.3299 54.9557 31.7845 174.8132 93 S 4.9276 8.6856 118.9605 56.4900 65.0765 173.6858 94 G 4.2626 8.2062 113.5268 46.0034 0.0000 171.4554 95 Q 5.0567 7.7512 116.6407 54.7970 32.6383 173.5470 96 Y 4.7732 9.1865 123.3251 56.9223 40.7437 174.2115 97 V 4.3127 8.5392 126.8434 60.8041 33.7301 175.2379 98 G 3.8873 8.4177 115.3817 45.6728 0.0000 173.2193 99 G 3.7683 8.6360 106.8484 44.5884 0.0000 172.3353 100 A 3.7898 7.8541 122.7443 54.6118 18.8115 177.8797 101 E 4.2424 7.7124 125.9899 53.7651 28.8995 175.2704 102 A 4.3983 8.4605 126.9905 52.3572 18.9929 176.4385 103 R 5.2665 8.9323 118.3156 54.6350 34.1019 174.3424 104 I 4.8171 8.7379 119.7744 59.7246 40.6517 174.3633 105 N 5.2807 8.9387 125.8285 52.0708 40.2066 174.5824 106 T 5.2552 9.4118 113.7329 60.0679 73.2221 172.5914 107 Q 5.1896 8.8861 120.6348 53.8481 32.0663 174.9311 108 W 5.3765 8.7678 119.3547 54.6066 32.2922 173.8722 109 L 5.2211 8.7962 120.0862 52.8888 45.0662 175.2927 110 L 5.1482 9.1365 125.5078 53.7627 44.6258 174.9192 111 T 5.1974 8.9755 123.6263 61.9800 71.1729 173.6988 112 S 5.1338 8.5436 121.7693 56.3575 65.3916 174.4176 113 G 3.8431 8.8754 112.0850 46.7553 0.0000 172.9155 114 T 4.7926 8.2940 114.3475 59.7094 72.4443 173.0352 115 T 4.1637 8.0880 111.0396 60.6450 70.2018 175.0732 116 E 3.8685 9.0181 122.1836 59.9125 29.1834 179.1340 117 A 4.1836 8.0752 118.2569 54.3608 18.7523 178.1291 118 N 4.7773 7.9232 112.7677 53.1780 38.9987 176.6128 119 A 4.1089 8.1230 126.7380 54.2870 18.1999 180.2952 120 W 4.3422 8.4088 113.3459 58.4499 28.3335 176.5327 121 K 4.1124 6.7430 118.8506 56.0889 32.3135 177.2146 122 S 4.2942 7.9310 115.6733 60.6469 63.8308 173.3383 123 T 5.1674 7.5249 117.2365 61.7615 71.1189 173.6566 124 L 4.6971 8.7683 126.7443 53.7215 43.9091 176.1064 125 V 4.3718 7.6826 119.7941 60.3499 34.5507 175.1709 126 G 3.3298 6.5424 108.0483 45.8986 0.0000 171.3691 127 H 5.5255 8.2826 113.8058 54.2534 32.1371 172.5891 128 D 5.0480 9.4122 118.2795 53.2828 45.6949 174.3540 129 T 5.0997 8.6236 118.7910 61.9160 71.1788 173.3295 130 F 5.4741 9.8122 125.4912 56.2019 42.1112 174.8296 131 T 5.5670 9.1673 111.1360 60.4898 72.4982 174.5562 132 K 4.2513 8.7424 119.3674 56.2033 32.6385 177.5081 133 V 3.9854 7.2847 124.1839 62.8622 31.4393 174.9700 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 G 8.35 3.95 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 0.00 0.00 0.00 17 I 7.28 3.80 1.36 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.60 0.00 0.00 18 T 7.86 4.12 4.18 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 1.18 0.00 0.00 19 G 7.61 3.75 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 0.00 0.00 0.00 20 T 7.57 4.78 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 0.76 0.00 0.00 21 W 9.25 5.12 0.00 3.09 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.58 5.57 0.00 3.01 2.91 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 23 N 9.41 5.09 0.00 2.24 2.16 0.00 0.00 6.62 7.39 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 24 Q 8.58 3.95 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.27 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 25 L 8.08 4.35 0.00 1.71 1.77 0.97 0.96 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 26 G 8.44 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 0.00 0.00 0.00 0.00 27 S 8.58 4.49 0.00 4.30 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 28 T 8.44 5.09 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 1.10 0.00 0.00 29 F 9.75 4.85 0.00 2.68 2.55 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 30 I 8.51 4.70 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.76 0.84 0.00 0.00 31 V 8.73 4.72 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.38 0.00 0.00 32 T 8.86 4.78 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 33 A 8.77 4.60 0.76 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 0.00 0.00 34 G 9.38 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 0.00 0.00 0.00 35 A 8.71 3.96 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 36 D 7.91 4.71 0.00 2.58 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 37 G 8.34 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 0.00 0.00 0.00 38 A 7.81 4.66 1.29 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 0.00 0.00 0.00 39 L 9.24 5.27 0.00 1.81 1.59 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.64 4.98 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 1.21 0.00 0.00 41 G 6.83 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.50 5.08 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 1.15 0.00 0.00 43 A 8.63 4.60 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.90 5.39 0.00 2.01 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 2.17 2.10 0.00 *52 S 8.63 4.49 0.00 4.11 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 0.00 53 R 7.52 4.88 0.00 1.71 1.75 0.00 3.12 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 54 Y 8.48 4.86 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.48 4.32 2.07 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 0.77 0.00 0.00 0.91 0.00 0.00 56 L 8.68 5.09 0.00 1.91 1.61 0.57 -0.16 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 57 T 8.71 4.86 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 1.25 0.00 0.00 58 G 8.80 4.11 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 0.00 0.00 0.00 59 R 8.82 6.03 0.00 1.76 1.85 0.00 3.32 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 60 Y 8.12 5.27 0.00 2.95 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 61 D 9.06 4.32 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 62 S 8.18 4.46 0.00 3.90 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 63 A 8.35 4.67 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 64 P 0.00 4.69 0.00 2.26 2.15 0.00 3.44 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 65 A 8.36 4.20 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 66 T 8.31 4.32 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 1.23 0.00 0.00 67 D 8.15 4.28 0.00 2.80 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 68 G 8.53 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.16 4.27 0.00 3.94 3.84 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 70 G 8.33 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 71 T 8.77 4.78 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 1.43 0.00 0.00 72 A 8.66 4.81 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 73 L 9.29 4.94 0.00 1.94 1.91 0.89 0.57 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 74 G 9.10 4.55 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 0.00 75 W 8.58 5.92 0.00 3.49 3.28 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 0.00 76 T 9.51 5.41 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 1.30 0.00 0.00 77 V 8.93 4.60 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 -0.19 0.00 0.00 0.99 0.00 0.00 78 A 8.38 4.41 1.18 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 0.00 0.00 79 W 8.23 4.06 0.00 3.38 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 80 K 7.75 5.31 0.00 1.94 1.71 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.46 7.81 81 N 9.17 4.98 0.00 2.59 2.44 0.00 0.00 7.07 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 82 N 8.59 4.40 0.00 1.80 2.38 0.00 0.00 6.60 7.46 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 83 Y 8.67 4.62 0.00 3.01 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 84 R 7.97 4.77 0.00 2.04 2.07 0.00 3.20 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 85 N 8.54 5.28 0.00 2.67 2.64 0.00 0.00 6.92 7.96 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 86 A 9.26 4.40 1.29 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 0.00 0.00 0.00 87 H 8.87 4.23 0.00 3.38 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.75 5.25 0.00 4.02 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 89 A 9.20 5.11 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 90 T 9.06 5.09 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 -0.08 0.00 0.00 91 T 8.77 5.11 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 1.22 0.00 0.00 92 W 8.94 5.04 0.00 1.88 2.28 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 0.00 93 S 8.69 4.93 0.00 3.82 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.21 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 0.00 0.00 0.00 0.00 95 Q 7.75 5.06 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 96 Y 9.19 4.77 0.00 2.98 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 97 V 8.54 4.31 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 0.85 0.00 0.00 0.89 0.00 0.00 98 G 8.42 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.64 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 0.00 100 A 7.85 3.79 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 0.00 101 E 7.71 4.24 0.00 1.97 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 2.31 2.38 0.00 102 A 8.46 4.40 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 0.00 103 R 8.93 5.27 0.00 1.97 2.20 0.00 2.72 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 104 I 8.74 4.82 1.58 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.11 0.85 0.00 0.00 105 N 8.94 5.28 0.00 2.68 2.77 0.00 0.00 6.06 7.15 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 0.00 106 T 9.41 5.26 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 1.20 0.00 0.00 107 Q 8.89 5.19 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 108 W 8.77 5.38 0.00 2.67 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 0.00 109 L 8.80 5.22 0.00 1.56 1.56 0.89 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.14 5.15 0.00 1.80 1.80 1.06 0.38 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 0.00 111 T 8.98 5.20 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 0.00 112 S 8.54 5.13 0.00 3.72 3.76 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 0.00 113 G 8.88 3.84 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 0.00 0.00 0.00 114 T 8.29 4.79 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 115 T 8.09 4.16 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 1.21 0.00 0.00 116 E 9.02 3.87 0.00 2.11 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 2.41 2.51 0.00 117 A 8.08 4.18 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 0.00 118 N 7.92 4.78 0.00 2.79 2.69 0.00 0.00 6.78 7.44 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 0.00 119 A 8.12 4.11 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 0.00 120 W 8.41 4.34 0.00 3.57 3.25 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 0.00 121 K 6.74 4.11 0.00 1.14 0.74 0.00 1.21 0.00 0.00 1.06 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.81 7.81 122 S 7.93 4.29 0.00 4.16 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 0.00 123 T 7.52 5.17 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 1.20 0.00 0.00 124 L 8.77 4.70 0.00 1.86 1.68 1.01 0.44 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 0.00 125 V 7.68 4.37 1.88 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 0.53 0.00 0.00 0.66 0.00 0.00 126 G 6.54 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 0.00 0.00 0.00 127 H 8.28 5.53 0.00 3.21 3.14 0.00 5.69 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 0.00 128 D 9.41 5.05 0.00 3.06 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 0.00 0.00 0.00 0.00 129 T 8.62 5.10 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 1.36 0.00 0.00 130 F 9.81 5.47 0.00 2.72 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 0.00 131 T 9.17 5.57 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 1.41 0.00 0.00 132 K 8.74 4.25 0.00 1.50 1.63 0.00 1.13 0.00 0.00 1.91 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.58 0.21 7.81 133 V 7.28 3.99 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 0.74 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.