NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8430 8.3501 109.7365 45.3545 0.0000 172.3169 2 A 4.0594 8.2229 129.2456 50.6220 19.3016 176.0710 3 M 4.3048 8.8017 124.6522 55.4279 33.7767 174.2387 4 A 4.5442 7.9674 122.2420 50.7388 22.0869 176.4016 5 R 4.0680 8.5144 123.9620 56.3396 30.8764 175.6646 6 V 4.4945 7.6641 122.5904 62.0663 35.6339 176.6157 7 G 3.9347 8.6193 110.4489 45.7988 0.0000 171.8793 8 P 3.8141 0.0000 0.0000 62.0173 32.2109 176.5505 9 K 4.1470 8.4974 122.2579 59.1201 32.5096 177.4151 10 I 4.6380 7.3761 118.2620 59.2827 41.9113 173.1798 11 E 5.2642 8.7510 126.7562 54.5162 32.0886 175.3230 12 I 4.8741 9.0512 117.9409 59.2640 41.4378 174.1586 13 T 5.2252 8.3731 113.8337 60.7129 71.0293 173.4621 14 H 4.6630 9.8340 122.1787 56.5364 33.3595 173.8196 15 G 3.6184 9.6555 114.7957 46.7646 0.0000 174.2638 16 G 3.9397 8.6207 104.9774 45.2025 0.0000 174.0837 17 K 4.6054 7.9004 118.2194 53.9511 35.8084 174.6580 18 K 4.9628 8.1060 121.4720 54.8831 34.9091 174.1290 19 Y 5.1943 9.4235 124.9132 56.5608 41.4003 174.5690 20 T 4.6139 8.8990 121.3976 62.0275 70.6773 173.7609 21 V 4.6568 8.5611 128.0356 61.3454 33.3591 174.9013 22 F 5.0838 9.5537 127.4992 56.4971 41.3534 175.0545 23 S 5.1863 8.3702 113.7775 57.2644 66.1849 173.1980 24 K 4.5992 8.9030 121.6979 54.8169 35.8678 175.3007 25 V 4.5322 8.5121 127.3822 62.7849 32.0205 174.8078 26 T 4.7462 9.1405 122.6822 61.0881 71.0822 173.6535 27 H 4.7673 8.9025 122.6195 55.7753 29.9119 175.7469 28 L 4.4556 7.6296 121.7239 54.1483 40.1388 175.8501 29 V 4.4093 6.9627 111.0161 58.5941 36.4940 175.3926 30 P 4.6963 0.0000 0.0000 62.7221 32.7090 175.4105 31 R 5.1907 8.0770 116.2869 55.0711 32.6868 174.9695 32 T 4.3312 8.8217 111.0737 60.7586 70.0750 175.6083 33 E 3.9569 8.7934 122.0255 59.7038 29.6151 178.5008 34 N 4.2954 8.0738 115.9277 56.1706 39.1087 174.7903 35 G 3.9138 7.4497 103.6789 44.9429 0.0000 173.2384 36 E 4.1924 8.5523 121.7581 55.8249 30.4400 175.5358 37 E 4.5206 8.8026 126.2162 55.6392 30.7695 175.9430 38 A 4.8520 8.9261 129.7938 50.7817 21.4141 175.5448 39 E 4.7783 8.9397 114.4376 55.0662 33.4623 174.4561 40 Y 5.3425 8.6272 118.4515 56.6445 40.6112 174.8915 41 V 4.7551 8.8066 122.8380 61.0542 34.9645 174.1328 42 V 4.7730 8.7869 128.0688 61.1790 34.0356 173.9697 43 F 4.7407 9.7325 127.9079 56.1909 40.4940 176.0556 44 G 4.4694 9.0669 111.6583 43.2288 0.0000 171.4331 45 P 4.9185 0.0000 0.0000 62.0476 32.5566 175.8511 46 E 4.3159 8.9417 123.8547 56.4866 30.1086 176.5185 47 K 4.3524 8.6067 128.6937 56.3604 35.5104 176.8528 *48 E 3.6272 9.5210 121.1768 57.0073 26.4552 172.8021 49 G 4.1419 8.3511 108.2817 45.6822 0.0000 173.7923 50 V 4.6032 7.2439 118.2791 59.8475 34.7281 174.7165 51 I 4.8209 8.6989 125.1263 59.7413 38.7146 175.1031 52 S 4.9388 8.7315 122.6051 58.1259 64.6979 173.2091 53 V 4.3972 9.2702 123.3047 60.9256 34.8709 174.2727 54 V 4.7719 8.3263 126.2317 61.1732 34.8237 174.0309 55 V 4.7691 8.5823 128.3293 61.2827 33.7957 174.1289 56 L 5.2640 8.9802 129.0718 53.2178 43.5316 175.6767 57 A 5.0885 8.8725 125.3090 49.5729 22.8678 174.6947 58 P 4.6430 0.0000 0.0000 62.6034 31.8913 175.8468 59 K 4.5651 7.4215 118.9233 54.3740 35.3809 174.5925 60 D 4.5008 8.5882 122.3796 53.5726 41.2283 175.4317 61 L 4.5301 8.2877 127.4670 52.9649 43.0664 177.0284 62 N 4.6511 8.4156 121.9905 52.5119 39.6293 175.6424 63 E 3.9580 8.5207 118.9894 59.1429 29.4748 178.9967 64 E 3.8142 8.1760 118.8513 59.3356 29.5408 178.6359 65 A 3.8882 8.4424 119.7026 54.9821 18.5529 179.3823 66 L 3.9564 7.9371 117.2815 57.8929 41.8490 179.4724 67 A 3.8599 7.9631 120.7135 55.1837 18.2008 179.6629 68 L 3.3608 7.6293 117.3120 57.5899 41.4197 179.9019 69 R 3.9478 7.2126 118.2489 59.0703 29.9335 179.3058 70 V 3.7086 7.4676 117.5006 65.7873 31.5999 177.5921 71 K 3.7213 7.5845 119.0828 59.5627 32.0177 178.6230 72 W 4.4726 8.3435 119.4105 59.7307 28.8511 178.3749 73 F 4.4061 8.5418 121.9153 61.0725 38.7042 176.8725 74 N 4.1889 8.4964 115.0622 56.3734 38.4398 176.5653 75 D 4.5878 8.2563 118.5512 56.3130 41.2631 178.4055 76 T 4.0692 7.9596 115.6954 63.7540 69.8209 175.0591 77 K 3.3026 7.9033 119.3105 56.3995 30.1703 173.2145 78 P 4.4353 0.0000 0.0000 62.8828 32.4480 176.2620 79 R 4.7770 8.1735 118.5605 54.3097 32.1727 176.0302 80 C 4.1783 9.5613 122.2159 60.2595 31.8487 175.4409 81 V 3.8304 8.6666 120.5282 63.4123 31.4299 177.2469 82 K 4.4067 7.9908 117.8334 56.9612 32.9936 176.6582 83 C 4.6893 7.8830 109.6163 56.6904 30.8704 174.9446 84 G 3.9248 8.5056 108.3429 45.2803 0.0000 173.6769 85 A 4.1770 7.7328 122.7567 51.7398 19.2340 177.0309 86 A 4.5814 8.1891 124.0463 50.5764 20.3716 176.8147 87 Y 4.3117 7.6172 121.1552 58.0878 39.0502 176.3534 88 N 4.6467 8.4200 122.6066 52.0360 38.2941 175.4453 89 G 3.7616 6.1755 108.2349 45.2380 0.0000 175.1794 90 K 4.1642 8.6515 118.2373 56.6573 33.1742 176.0284 91 N 5.0789 7.9500 115.0518 51.5433 39.8493 174.1748 92 H 5.2099 8.8627 116.4112 55.4590 30.9821 174.5893 93 F 5.0448 9.3047 122.4866 57.0769 43.3280 172.9060 94 R 5.2086 8.8100 126.1724 54.6584 33.1995 174.4508 95 V 4.8927 8.8604 118.5852 59.5509 35.5321 174.5323 96 V 5.0262 8.7662 123.1256 61.2540 33.6861 174.3493 97 A 5.6363 9.1874 129.2441 50.3721 22.8880 174.7313 98 I 4.9101 8.6073 113.9145 59.1198 41.7553 174.5158 99 R 3.6118 8.4518 115.7610 59.0709 26.9285 176.2576 100 N 4.4630 9.1692 109.4507 54.5212 36.5484 176.1691 101 G 4.3472 8.4113 103.9958 45.9310 0.0000 174.1199 102 T 3.3761 7.4305 108.3289 62.0139 69.6159 173.9253 103 Y 4.2837 7.8547 124.1069 55.7284 41.2492 174.0572 104 Y 5.1169 7.7468 125.5309 57.7342 38.5523 176.6195 105 L 4.2930 9.2320 126.2319 57.4973 42.5497 176.9433 106 D 4.9288 8.0454 115.7918 53.0445 45.1587 173.9516 107 A 5.2511 8.4140 123.5804 50.6744 22.8805 175.3923 108 V 4.4635 8.1117 119.9562 60.6261 35.3185 172.9495 109 C 5.0422 8.2508 117.3260 56.7082 32.1797 173.5129 110 D 4.8148 8.6285 118.0173 54.2233 39.5556 178.6470 111 K 4.1292 8.1344 118.9651 59.8209 33.2752 177.9724 112 C 4.3484 8.0143 116.0025 61.4828 28.8791 173.4894 113 E 4.6037 8.5190 119.2919 52.4450 29.6209 173.9090 114 P 4.5170 0.0000 0.0000 64.5631 31.7616 177.7900 115 R 3.9574 7.9530 114.3916 58.6256 28.8851 178.5844 116 I 3.6664 7.6169 113.7584 64.1930 37.4478 178.3351 117 T 3.8400 7.7142 117.6240 66.1958 68.1220 176.7189 118 W 4.0467 8.4139 120.5068 59.0170 29.2842 178.2601 119 L 3.8969 7.9723 120.5235 58.3815 41.5204 179.1154 120 S 3.9603 7.7830 112.6057 60.9482 62.8542 176.0841 121 A 3.8075 7.5947 123.6435 55.0387 18.0937 179.1836 122 I 3.7070 7.2899 117.3117 64.3948 37.1978 178.3918 123 V 3.8263 7.0346 118.5404 66.1386 31.6193 177.0426 *124 I 4.0672 7.5447 123.4450 62.1647 35.4948 177.3666 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 G 8.35 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 2 A 8.22 4.06 1.28 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 0.00 0.00 3 M 8.80 4.30 0.00 2.02 2.02 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 2.60 2.54 0.00 4 A 7.97 4.54 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 5 R 8.51 4.07 0.00 1.78 1.84 0.00 3.18 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 6 V 7.66 4.49 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 0.89 0.00 0.00 0.95 0.00 0.00 7 G 8.62 3.93 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 0.00 0.00 0.00 8 P 0.00 3.81 0.00 1.65 0.97 0.00 3.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.36 0.00 9 K 8.50 4.15 0.00 1.54 1.80 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.49 7.81 10 I 7.38 4.64 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.62 0.83 0.00 0.00 11 E 8.75 5.26 0.00 1.81 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 2.13 2.16 0.00 12 I 9.05 4.87 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.89 0.00 0.00 13 T 8.37 5.23 4.30 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 0.00 0.00 0.00 1.24 0.00 0.00 14 H 9.83 4.66 0.00 3.20 3.33 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.66 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 0.00 0.00 0.00 16 G 8.62 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 17 K 7.90 4.61 0.00 1.87 1.40 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.57 7.81 18 K 8.11 4.96 0.00 1.76 1.69 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 Y 9.42 5.19 0.00 2.96 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 20 T 8.90 4.61 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 0.92 0.00 0.00 21 V 8.56 4.66 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 0.96 0.00 0.00 0.88 0.00 0.00 22 F 9.55 5.08 0.00 2.97 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 23 S 8.37 5.19 0.00 3.92 3.78 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 0.00 0.00 0.00 24 K 8.90 4.60 0.00 1.84 1.65 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.40 7.81 25 V 8.51 4.53 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 0.98 0.00 0.00 26 T 9.14 4.75 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 1.27 0.00 0.00 27 H 8.90 4.77 0.00 3.17 3.30 0.00 5.75 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.63 4.46 0.00 1.75 1.72 0.96 0.86 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 29 V 6.96 4.41 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 0.71 0.00 0.00 0.93 0.00 0.00 30 P 0.00 4.70 0.00 1.97 1.94 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 31 R 8.08 5.19 0.00 1.74 1.82 0.00 3.03 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 32 T 8.82 4.33 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 1.25 0.00 0.00 33 E 8.79 3.96 0.00 1.97 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 0.00 2.32 2.32 0.00 34 N 8.07 4.30 0.00 2.66 2.83 0.00 0.00 7.10 7.98 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 35 G 7.45 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 0.00 0.00 0.00 36 E 8.55 4.19 0.00 1.93 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 0.00 2.30 2.42 0.00 37 E 8.80 4.52 0.00 1.98 1.83 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 2.22 2.29 0.00 38 A 8.93 4.85 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 39 E 8.94 4.78 0.00 2.18 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 0.00 2.52 2.36 0.00 40 Y 8.63 5.34 0.00 2.95 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 41 V 8.81 4.76 2.15 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 0.69 0.00 0.00 1.02 0.00 0.00 42 V 8.79 4.77 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 1.00 0.00 0.00 0.85 0.00 0.00 43 F 9.73 4.74 0.00 2.45 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 0.00 0.00 0.00 44 G 9.07 4.47 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 0.00 0.00 0.00 45 P 0.00 4.92 0.00 2.12 2.17 0.00 3.62 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 46 E 8.94 4.32 0.00 2.00 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 2.31 2.26 0.00 47 K 8.61 4.35 0.00 1.74 1.66 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.49 7.81 *48 E 9.52 3.63 0.00 2.06 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 2.20 1.86 0.00 49 G 8.35 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 0.00 0.00 0.00 0.00 50 V 7.24 4.60 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 0.91 0.00 0.00 0.99 0.00 0.00 51 I 8.70 4.82 1.62 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 0.53 1.30 0.00 0.00 52 S 8.73 4.94 0.00 3.99 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 53 V 9.27 4.40 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 0.18 0.00 0.00 0.71 0.00 0.00 54 V 8.33 4.77 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 0.83 0.00 0.00 0.80 0.00 0.00 55 V 8.58 4.77 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 0.94 0.00 0.00 0.85 0.00 0.00 56 L 8.98 5.26 0.00 1.85 1.70 1.00 0.74 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 57 A 8.87 5.09 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 58 P 0.00 4.64 0.00 2.07 1.97 0.00 3.29 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 59 K 7.42 4.57 0.00 1.68 1.68 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.39 7.81 60 D 8.59 4.50 0.00 2.69 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 61 L 8.29 4.53 0.00 1.66 1.57 0.94 1.13 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 62 N 8.42 4.65 0.00 2.97 2.97 0.00 0.00 6.26 7.66 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 63 E 8.52 3.96 0.00 2.00 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 2.35 2.31 0.00 64 E 8.18 3.81 0.00 1.99 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 0.00 2.31 2.34 0.00 65 A 8.44 3.89 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 66 L 7.94 3.96 0.00 1.78 1.64 0.87 0.68 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 67 A 7.96 3.86 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 68 L 7.63 3.36 0.00 1.15 0.13 0.87 0.49 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 69 R 7.21 3.95 0.00 1.79 2.08 0.00 3.48 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 70 V 7.47 3.71 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 0.35 0.00 0.00 0.75 0.00 0.00 71 K 7.58 3.72 0.00 1.65 1.69 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.36 7.81 72 W 8.34 4.47 0.00 3.55 3.09 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 73 F 8.54 4.41 0.00 3.39 3.24 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 74 N 8.50 4.19 0.00 2.97 2.94 0.00 0.00 7.14 7.83 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 75 D 8.26 4.59 0.00 2.78 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 76 T 7.96 4.07 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 1.31 0.00 0.00 77 K 7.90 3.30 0.00 1.68 1.63 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.16 1.38 7.81 78 P 0.00 4.44 0.00 2.30 2.25 0.00 2.84 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 79 R 8.17 4.78 0.00 1.88 2.11 0.00 3.40 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 80 C 9.56 4.18 0.00 3.10 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 81 V 8.67 3.83 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 0.86 0.00 0.00 1.04 0.00 0.00 82 K 7.99 4.41 0.00 1.73 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.38 7.81 83 C 7.88 4.69 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 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 85 A 7.73 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.19 4.58 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 87 Y 7.62 4.31 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.42 4.65 0.00 2.71 2.74 0.00 0.00 7.19 6.31 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 89 G 6.18 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 90 K 8.65 4.16 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.29 7.81 91 N 7.95 5.08 0.00 3.02 2.91 0.00 0.00 6.03 7.90 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 92 H 8.86 5.21 0.00 3.33 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.30 5.04 0.00 3.50 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 R 8.81 5.21 0.00 1.81 1.61 0.00 2.74 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 95 V 8.86 4.89 1.62 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 0.64 0.00 0.00 0.92 0.00 0.00 96 V 8.77 5.03 2.17 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 1.03 0.00 0.00 1.08 0.00 0.00 97 A 9.19 5.64 1.54 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 98 I 8.61 4.91 1.88 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 1.43 0.85 0.95 0.00 0.00 99 R 8.45 3.61 0.00 2.01 1.97 0.00 3.32 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 100 N 9.17 4.46 0.00 2.86 2.96 0.00 0.00 7.31 7.65 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 0.00 101 G 8.41 4.35 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 0.00 102 T 7.43 3.38 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 0.30 0.00 0.00 103 Y 7.85 4.28 0.00 3.02 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 0.00 104 Y 7.75 5.12 0.00 2.85 2.78 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 0.00 0.00 0.00 105 L 9.23 4.29 0.00 1.63 1.83 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.05 4.93 0.00 2.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 5.25 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 0.00 108 V 8.11 4.46 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 0.65 0.00 0.00 0.84 0.00 0.00 109 C 8.25 5.04 0.00 3.17 3.19 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 0.00 110 D 8.63 4.81 0.00 2.72 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.13 4.13 0.00 1.91 2.01 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.48 7.81 112 C 8.01 4.35 0.00 2.96 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 0.00 113 E 8.52 4.60 0.00 1.93 1.76 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 2.18 2.35 0.00 114 P 0.00 4.52 0.00 2.14 2.14 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 115 R 7.95 3.96 0.00 1.91 2.07 0.00 2.91 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 116 I 7.62 3.67 1.80 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 1.73 0.79 0.85 0.00 0.00 117 T 7.71 3.84 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 0.99 0.00 0.00 118 W 8.41 4.05 0.00 3.47 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 0.00 119 L 7.97 3.90 0.00 1.67 1.69 0.75 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.78 3.96 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 0.00 121 A 7.59 3.81 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 0.00 122 I 7.29 3.71 2.00 0.00 0.00 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 1.43 0.46 0.90 0.00 0.00 123 V 7.03 3.83 1.95 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 0.80 0.00 0.00 0.91 0.00 0.00 *124 I 7.54 4.07 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 1.38 0.80 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.