NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.4792 8.3293 120.8376 59.0258 31.6438 172.9570 11 P 4.4204 0.0000 0.0000 62.6979 32.8195 174.1311 12 L 5.0554 7.6925 122.3648 53.6603 45.1140 176.0855 13 M 4.9100 9.1228 125.6024 53.6807 36.1543 173.8298 14 V 4.8487 8.3460 124.3202 60.9161 34.9033 174.0579 15 K 4.9618 9.0089 128.0628 54.5898 35.5886 174.7870 16 V 4.7997 8.8549 126.6613 61.0758 34.6416 174.0999 17 L 5.0240 8.8237 126.7765 52.8917 46.0614 174.9206 18 D 5.1673 8.9962 122.1858 52.7744 42.3071 176.6488 19 A 4.2962 9.3584 128.8112 53.8442 18.5390 178.6016 20 V 3.8856 8.7745 115.3667 64.9773 31.8762 177.0332 21 R 4.4108 8.4433 115.3639 55.2015 31.3176 175.6825 22 G 3.8835 8.3169 105.4833 46.0304 0.0000 173.1345 23 S 4.7668 7.5108 111.2649 55.6294 67.1497 172.3620 24 P 4.5886 0.0000 0.0000 63.0175 32.1170 176.1150 25 A 4.3428 8.8013 125.3050 50.9985 19.6662 176.3079 26 I 4.3405 8.3844 122.6509 61.0074 39.2513 175.6582 27 N 4.1623 8.5360 121.2993 54.3778 36.5993 174.2703 28 V 4.1520 7.5960 118.0644 61.7513 33.1411 174.8588 29 A 4.5829 8.5507 129.8546 51.8398 19.9921 176.0889 30 V 4.7632 8.9208 121.9479 61.3226 35.0406 173.9099 31 H 5.0387 9.3182 124.7064 53.8273 32.0020 172.8003 32 V 4.8604 8.6854 122.7638 61.1494 34.3367 174.3267 33 F 5.5185 9.4419 125.1850 55.7785 43.5625 173.6076 34 R 4.7343 8.9549 121.4422 54.1233 32.9189 174.6924 35 K 4.1022 8.4989 127.8474 56.0286 32.6395 176.7299 36 A 4.2788 8.8888 130.9581 50.7490 19.7229 177.7929 37 A 3.9632 8.3876 122.2753 54.9441 18.2765 178.1854 38 D 4.6248 7.9920 114.6819 53.1055 39.5944 176.5458 39 D 4.2415 7.6988 116.5679 56.0582 39.1315 173.4903 40 T 4.4219 6.9795 115.2921 61.7044 71.2858 173.9687 41 W 5.2306 8.5141 124.6820 55.8878 30.1075 175.4480 42 E 4.8538 9.1324 124.0776 53.8924 31.3526 173.8504 43 P 4.5036 0.0000 0.0000 63.9101 31.5511 175.1100 44 F 4.8470 8.8668 123.7278 59.5364 41.8280 174.5974 45 A 4.5370 7.7017 117.0415 51.6365 22.2461 175.1483 46 S 4.6287 7.6473 112.7548 57.4595 65.8017 174.0953 47 G 3.8731 7.3906 107.1628 45.6110 0.0000 171.6828 48 K 5.1711 8.3475 117.8903 54.2576 35.2755 176.8912 49 T 4.2239 8.6723 115.0323 62.1330 70.2444 174.7284 50 S 4.7695 8.6789 118.5931 57.5461 65.5341 174.2124 51 E 3.9212 8.9905 118.2831 59.4928 29.1946 178.0348 52 S 4.4564 7.8535 110.9987 57.6660 63.4139 174.7267 53 G 3.9200 8.3642 109.1382 45.6004 0.0000 172.9026 54 E 5.1436 7.7625 117.9344 54.1054 33.5207 174.9425 55 L 4.8054 8.6687 123.2819 54.0305 45.0329 175.0594 56 H 4.9368 8.8005 122.4952 53.7174 32.4552 173.5188 57 G 3.9026 8.5694 104.7640 46.9418 0.0000 175.5275 58 L 4.0354 8.0523 121.3815 57.0474 42.0578 176.6760 59 T 4.5093 7.3409 110.2500 61.0979 70.6954 171.6376 60 T 4.7638 8.0558 111.5673 59.1953 71.6355 174.6685 61 E 4.1044 8.9604 121.6779 59.7708 29.7501 178.5196 62 E 4.1585 8.3860 117.9765 59.3314 29.8059 177.6924 63 E 4.3107 7.8613 115.8508 58.8255 30.1094 177.5476 64 F 4.8623 8.1627 122.4090 57.2322 37.6155 174.9729 65 V 4.0585 7.4552 116.9514 59.6909 32.9001 175.9678 66 E 4.0497 8.5650 120.4402 56.7181 30.6502 177.4492 67 G 3.7620 7.3564 107.9640 46.7356 0.0000 170.3765 68 I 4.8546 7.1364 119.8673 59.6932 39.4662 174.9202 69 Y 5.1069 8.6197 124.3239 55.8756 41.7461 174.4354 70 K 4.9010 9.1930 123.3396 54.5642 35.2768 174.7257 71 V 4.7818 9.1037 127.8013 61.2077 33.7427 173.6291 72 E 4.9998 9.5530 129.5954 54.4800 32.1177 174.3016 73 I 4.5846 8.7943 128.3382 59.5647 39.7536 175.5175 74 D 4.8705 8.9044 128.9826 53.9322 38.1279 176.3938 75 T 4.0123 7.8692 114.9069 63.7606 69.4524 176.7070 76 K 4.1149 8.0795 122.2597 59.7098 32.4715 178.7886 77 S 4.1590 8.4333 115.4543 61.5292 62.4231 175.9256 78 Y 3.9061 7.5781 121.3158 60.7017 38.5488 178.4892 79 W 4.3916 8.0576 119.6852 59.7039 29.1400 178.7454 80 K 4.0682 8.4853 118.3953 59.3457 31.2512 179.0573 81 A 4.1176 7.7772 119.4658 53.9182 18.3554 178.4869 82 L 4.4404 7.0191 115.6879 53.6594 42.1274 176.7279 83 G 3.9383 7.9053 106.8772 46.5672 0.0000 173.5999 84 I 4.5199 7.8585 119.8479 58.8454 39.5945 175.5563 85 S 4.4682 8.6914 120.1120 56.8138 63.6954 172.1862 86 P 4.4641 0.0000 0.0000 61.1105 33.3585 175.2506 87 F 4.0779 8.1946 120.3283 60.5308 39.5984 175.9566 88 H 4.4034 7.8035 115.7443 55.0285 29.5123 175.4842 89 E 4.0143 8.6181 122.3138 59.6887 29.5077 176.1750 90 H 4.7364 7.4779 110.6406 55.9226 31.3262 172.8494 91 A 4.5590 8.5684 119.9619 50.0240 21.3959 175.4220 92 E 5.0822 8.7445 119.9133 54.4706 33.4904 175.6125 93 V 4.4881 8.9582 122.9213 61.1965 34.6892 174.1785 94 V 5.1861 8.6571 127.7042 61.1357 33.8615 174.3343 95 F 5.1210 8.9062 121.3051 56.2103 41.6983 172.9328 96 T 4.9150 8.6907 116.5236 62.3587 70.0189 174.0334 97 A 4.6057 9.0133 128.7857 51.0787 19.7898 177.5026 98 N 5.0504 8.7476 119.0635 53.2437 41.2462 175.4111 *103 R 3.7852 7.8228 119.2026 56.6819 31.4856 175.3472 104 R 4.8686 7.8864 117.0666 55.0983 32.3596 177.0539 105 Y 5.0223 9.2738 122.1472 55.5726 40.9692 174.7545 106 T 4.8891 9.0320 121.6535 61.8618 71.3487 173.2755 107 I 4.7416 8.7136 128.2201 59.7379 39.0506 174.6466 108 A 5.2846 9.0340 129.2746 49.9901 22.1697 174.7982 109 A 5.1411 8.9567 122.0160 49.9910 22.9772 174.7252 110 L 5.0270 9.1523 124.3055 53.2789 44.7324 174.9130 111 L 5.3823 9.0680 126.8226 53.3374 43.8411 175.9101 112 S 5.1677 9.3557 118.9210 55.9265 66.9768 173.5299 113 P 3.2667 0.0000 0.0000 65.0581 31.0961 177.8794 114 Y 4.7991 7.8138 112.3025 57.2267 38.6665 174.9660 115 S 4.7250 7.9282 112.8363 57.3187 65.7161 172.5171 116 Y 5.5096 7.7525 122.9694 55.6696 41.1885 173.8758 117 S 4.8842 9.1560 114.6615 56.8890 66.0067 172.5851 118 T 5.2858 8.5472 118.8100 60.9047 70.5949 172.8700 119 T 4.8554 8.9543 122.1013 61.9140 73.5071 172.4206 120 A 5.0942 8.6117 125.8269 50.1576 21.5145 175.7990 121 V 4.2041 8.8454 123.1745 61.0252 33.8787 174.5322 122 V 4.6088 8.4075 128.0124 61.4532 33.4368 175.2771 123 T 4.2432 8.4711 124.3821 63.6626 69.3031 174.1661 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 10 C 8.33 4.48 0.00 2.94 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 11 P 0.00 4.42 0.00 2.29 2.39 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.08 0.00 12 L 7.69 5.06 0.00 0.80 1.12 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.12 4.91 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 14 V 8.35 4.85 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 0.94 0.00 0.00 0.88 0.00 0.00 15 K 9.01 4.96 0.00 1.76 1.53 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.30 7.81 16 V 8.85 4.80 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 0.77 0.00 0.00 0.81 0.00 0.00 17 L 8.82 5.02 0.00 1.60 1.50 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.00 5.17 0.00 2.67 2.77 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 19 A 9.36 4.30 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 20 V 8.77 3.89 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 0.92 0.00 0.00 1.04 0.00 0.00 21 R 8.44 4.41 0.00 1.94 2.01 0.00 3.51 0.00 0.00 3.63 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 22 G 8.32 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 0.00 0.00 0.00 23 S 7.51 4.77 0.00 3.88 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 24 P 0.00 4.59 0.00 2.03 2.15 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 25 A 8.80 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.38 4.34 1.91 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 1.60 0.79 0.91 0.00 0.00 27 N 8.54 4.16 0.00 2.91 2.92 0.00 0.00 6.88 7.11 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 28 V 7.60 4.15 1.92 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 0.89 0.00 0.00 0.59 0.00 0.00 29 A 8.55 4.58 1.26 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 30 V 8.92 4.76 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 0.92 0.00 0.00 0.85 0.00 0.00 31 H 9.32 5.04 0.00 3.12 2.66 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.69 4.86 2.30 0.00 0.00 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 0.95 0.00 0.00 33 F 9.44 5.52 0.00 2.87 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 34 R 8.95 4.73 0.00 1.46 1.69 0.00 2.78 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 35 K 8.50 4.10 0.00 1.12 1.30 0.00 1.27 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 0.26 7.81 36 A 8.89 4.28 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 37 A 8.39 3.96 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 38 D 7.99 4.62 0.00 2.77 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 39 D 7.70 4.24 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 6.98 4.42 4.53 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 1.20 0.00 0.00 41 W 8.51 5.23 0.00 2.93 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 42 E 9.13 4.85 0.00 2.18 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 2.54 2.45 0.00 43 P 0.00 4.50 0.00 2.03 2.08 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 44 F 8.87 4.85 0.00 3.07 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 45 A 7.70 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.65 4.63 0.00 3.72 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 47 G 7.39 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 0.00 0.00 0.00 48 K 8.35 5.17 0.00 1.57 1.65 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.35 7.81 49 T 8.67 4.22 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 1.16 0.00 0.00 50 S 8.68 4.77 0.00 3.90 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 51 E 8.99 3.92 0.00 1.97 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 2.31 2.25 0.00 52 S 7.85 4.46 0.00 3.95 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 53 G 8.36 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 0.00 0.00 0.00 54 E 7.76 5.14 0.00 1.91 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 2.23 2.43 0.00 55 L 8.67 4.81 0.00 1.62 1.38 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.80 4.94 0.00 2.98 3.15 0.00 6.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.57 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 58 L 8.05 4.04 0.00 1.57 1.69 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.34 4.51 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 0.97 0.00 0.00 60 T 8.06 4.76 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 1.21 0.00 0.00 61 E 8.96 4.10 0.00 2.04 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 2.42 2.37 0.00 62 E 8.39 4.16 0.00 1.95 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 0.00 2.33 2.45 0.00 63 E 7.86 4.31 0.00 2.23 2.26 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 2.41 2.31 0.00 64 F 8.16 4.86 0.00 3.09 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 65 V 7.46 4.06 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 0.83 0.00 0.00 0.96 0.00 0.00 66 E 8.56 4.05 0.00 1.88 1.86 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 2.40 2.33 0.00 67 G 7.36 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 0.00 0.00 0.00 68 I 7.14 4.85 1.67 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 1.29 0.61 1.00 0.00 0.00 69 Y 8.62 5.11 0.00 1.82 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 70 K 9.19 4.90 0.00 0.79 0.74 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.01 7.81 71 V 9.10 4.78 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 0.98 0.00 0.00 1.13 0.00 0.00 72 E 9.55 5.00 0.00 2.02 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 2.13 1.98 0.00 73 I 8.79 4.58 1.73 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 0.52 0.78 0.00 0.00 74 D 8.90 4.87 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.87 4.01 4.45 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 1.15 0.00 0.00 76 K 8.08 4.11 0.00 2.07 1.90 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.58 7.81 77 S 8.43 4.16 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 78 Y 7.58 3.91 0.00 2.98 2.81 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 79 W 8.06 4.39 0.00 3.55 3.36 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 80 K 8.49 4.07 0.00 1.84 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.78 7.81 81 A 7.78 4.12 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 82 L 7.02 4.44 0.00 1.72 1.73 0.33 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.91 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 0.00 0.00 0.00 84 I 7.86 4.52 2.11 0.00 0.00 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 1.41 0.96 0.79 0.00 0.00 85 S 8.69 4.47 0.00 4.00 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 86 P 0.00 4.46 0.00 2.24 2.16 0.00 3.76 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 1.95 2.11 0.00 87 F 8.19 4.08 0.00 1.77 2.61 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 0.00 0.00 0.00 0.00 88 H 7.80 4.40 0.00 3.31 3.49 0.00 5.95 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 89 E 8.62 4.01 0.00 1.73 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 2.16 2.14 0.00 90 H 7.48 4.74 0.00 3.23 3.25 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.57 4.56 0.41 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 92 E 8.74 5.08 0.00 1.86 1.80 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 2.07 2.29 0.00 93 V 8.96 4.49 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 0.97 0.00 0.00 0.97 0.00 0.00 94 V 8.66 5.19 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 1.18 0.00 0.00 0.93 0.00 0.00 95 F 8.91 5.12 0.00 3.18 3.13 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 96 T 8.69 4.91 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 1.23 0.00 0.00 97 A 9.01 4.61 0.80 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 98 N 8.75 5.05 0.00 2.75 2.88 0.00 0.00 6.86 7.55 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 *103 R 7.82 3.79 0.00 1.82 2.02 0.00 3.69 0.00 0.00 3.48 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.11 0.00 104 R 7.89 4.87 0.00 1.53 1.77 0.00 3.27 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 105 Y 9.27 5.02 0.00 2.80 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 0.00 106 T 9.03 4.89 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 1.17 0.00 0.00 107 I 8.71 4.74 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.85 0.87 0.00 0.00 108 A 9.03 5.28 1.19 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 0.00 0.00 0.00 109 A 8.96 5.14 1.15 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 0.00 0.00 110 L 9.15 5.03 0.00 1.77 1.58 0.98 0.50 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 0.00 111 L 9.07 5.38 0.00 1.87 2.03 0.56 0.84 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 0.00 112 S 9.36 5.17 0.00 3.91 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 0.00 113 P 0.00 3.27 0.00 2.10 1.63 0.00 3.28 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.67 0.00 114 Y 7.81 4.80 0.00 2.76 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 0.00 115 S 7.93 4.72 0.00 3.87 3.69 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 0.00 116 Y 7.75 5.51 0.00 3.08 2.96 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 0.00 117 S 9.16 4.88 0.00 3.94 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 0.00 118 T 8.55 5.29 4.38 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 1.33 0.00 0.00 119 T 8.95 4.86 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 0.00 120 A 8.61 5.09 1.14 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 0.00 0.00 121 V 8.85 4.20 2.05 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 0.93 0.00 0.00 0.91 0.00 0.00 122 V 8.41 4.61 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 0.47 0.00 0.00 0.84 0.00 0.00 123 T 8.47 4.24 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 * Residues marked with a * may have inaccurate shift predictions.