NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8709 8.3549 109.7380 45.7273 0.0000 173.1836 -1 S 4.4659 7.9674 122.5691 57.0550 65.1188 170.4629 0 H 4.5719 7.8779 119.0845 55.5094 32.9224 171.5586 0 F 4.4619 7.7579 121.1845 58.2094 43.5224 173.2586 3 Y 4.4582 8.5186 120.6198 57.5912 38.9052 174.9164 *5 T 4.1708 8.2790 118.7422 64.4887 69.8001 173.0704 6 A 4.5350 8.2645 127.1193 50.1511 22.3196 174.6881 7 L 4.4428 7.9671 122.4039 53.3668 43.4590 175.9220 8 F 4.9591 8.3783 123.8961 54.7274 42.3909 173.0510 9 P 4.5287 0.0000 0.0000 62.9112 32.8832 174.6124 10 Y 4.7785 8.5043 122.7119 56.1112 40.9985 174.2664 11 I 4.0812 8.4169 128.8007 59.8461 39.1563 175.2445 12 A 4.6550 8.2979 129.1690 50.9330 18.9926 176.3128 13 F 4.6452 8.6987 120.7744 57.0453 40.7447 177.7220 14 E 3.8037 9.0731 121.4723 58.8949 29.6840 177.4496 15 N 4.7231 7.7972 117.4206 51.0664 41.3690 174.5584 16 S 3.9118 9.2999 126.3918 61.0956 63.0143 176.6044 17 K 3.8950 7.9116 121.9498 59.5481 31.9616 178.4180 18 E 3.8946 8.6118 118.6000 59.3419 29.4578 179.0472 19 A 3.5452 7.4421 120.6233 55.2908 18.1708 179.8053 20 L 3.7187 8.3121 117.5228 57.5736 41.7005 179.7018 21 A 3.9334 7.8263 120.5634 55.1398 18.2441 178.9793 22 Y 3.9569 8.1936 118.3084 61.1344 38.8716 178.0588 23 Y 3.4686 7.7181 117.5905 60.4692 37.3487 177.7192 24 E 4.1293 8.2736 122.0084 58.4165 29.5192 178.3241 25 E 3.9375 7.6953 114.8564 57.6230 30.5134 177.7358 26 V 3.6528 7.5290 118.3553 64.4938 32.0894 177.0500 27 F 4.5140 8.0294 113.8538 56.3144 39.3931 175.8902 28 G 3.9256 7.6790 106.0311 46.0913 0.0000 173.9990 29 A 4.4188 8.1375 123.1165 52.2589 19.0771 178.0989 30 T 4.7714 8.5278 112.4603 60.6027 71.6180 173.4672 31 D 4.3460 8.7048 117.9015 55.4048 38.3962 174.0157 32 V 4.1431 7.9333 118.5108 62.8783 32.3169 175.1321 33 K 4.6932 8.9093 126.9545 54.5557 35.6275 175.1834 34 R 4.6606 8.6051 124.3833 54.4481 32.8763 173.8866 35 L 4.6315 9.1525 129.9931 53.3128 42.6896 175.8152 36 E 4.8299 8.5480 124.6497 55.0641 31.2147 176.3577 37 V 3.6795 8.1351 120.5488 62.2097 32.1342 176.2149 38 G 3.8138 9.2534 117.2980 45.1881 0.0000 173.7235 39 E 3.8771 8.9525 121.3031 59.0152 29.5430 178.3389 40 E 4.5233 8.0908 114.1347 56.5496 30.1157 176.9250 41 Q 4.4621 7.8347 118.9683 57.0083 28.9183 177.3897 42 A 4.1433 7.6521 121.6634 55.2460 17.7340 179.6015 43 S 4.1594 8.1793 112.1867 62.1915 62.7414 176.2494 44 H 4.1872 8.0796 120.2891 58.2039 29.6434 176.2135 45 F 4.4359 7.9322 115.7241 55.8173 40.5097 175.1541 46 G 3.6310 7.4282 107.4651 46.3479 0.0000 173.3069 *48 T 4.1547 7.2158 112.6296 61.4660 71.5288 175.1754 49 K 4.0076 8.3547 120.1696 59.8233 31.8143 178.9249 50 E 3.9974 8.0122 116.8005 59.6536 29.7131 178.9293 51 E 4.1134 8.1816 117.8047 59.1258 29.5352 179.1687 52 A 3.9657 8.0132 121.1533 55.1122 18.2750 179.4339 53 Q 4.0024 7.6605 116.5993 58.7609 29.1584 177.5826 54 E 4.1643 7.7327 117.9559 56.8850 30.2420 176.1673 55 A 4.8422 7.1782 121.1268 51.0039 21.6702 176.0300 56 T 5.0363 8.7132 115.5021 61.8701 73.6017 172.3208 *58 H 4.8509 8.5060 120.2734 56.5061 31.2004 171.8083 59 A 5.2410 8.6907 125.9184 50.4802 23.3044 174.4505 60 E 5.1017 9.1048 116.4601 55.1669 33.6457 174.1170 61 F 5.1912 8.4083 114.3589 56.0676 42.0930 172.2713 62 E 5.1435 9.2853 120.4594 54.5445 32.4641 174.7361 63 V 4.6580 8.6024 119.8615 60.1568 35.0035 175.9303 64 L 3.6392 9.7980 124.4822 55.7113 39.2439 175.5779 65 G 3.9764 8.5772 103.7515 45.5669 0.0000 174.3106 66 V 4.4725 7.8598 113.1927 59.1068 34.1970 174.2757 67 K 4.9013 8.5870 124.0974 55.1589 33.5227 175.5675 68 V 4.3043 8.1658 127.2783 60.9511 34.1563 174.2690 69 L 5.0465 8.1689 126.7517 53.4173 45.1733 174.8846 70 C 4.5593 8.2552 115.2381 58.0821 33.7851 172.2174 71 S 4.5110 8.2057 112.3826 57.8185 65.9642 173.4747 72 D 4.7719 7.9351 119.6500 54.2745 40.9313 177.4626 73 S 4.2129 8.8915 116.5438 59.5668 63.7594 175.7121 74 F 3.7336 7.0099 117.0543 59.1257 36.9311 176.4462 75 G 4.0537 9.1944 118.5602 46.6928 0.0000 173.5725 76 R 4.3990 8.0373 117.9105 55.9123 31.4674 176.1397 77 A 4.8057 7.6341 120.3691 49.7431 21.1247 176.2570 78 D 4.5253 8.4487 120.8978 53.8132 41.5924 176.6421 79 K 4.0235 8.3867 122.6710 56.3315 32.7690 176.7380 80 I 3.8449 8.3430 126.6711 61.5188 37.6719 174.9770 81 N 5.2541 8.4302 124.4844 51.6982 39.4644 174.4435 82 N 4.9305 8.6562 118.2609 53.1011 37.9201 176.1059 83 G 3.6502 8.6870 111.0381 48.5402 0.0000 174.6637 84 I 4.3171 7.5098 120.2944 59.3759 39.1235 175.2009 85 S 4.6234 8.4043 121.3189 57.2110 64.9043 173.5573 86 L 4.4717 8.2842 121.1071 53.1341 43.2923 175.5269 87 L 4.9213 8.5203 126.4428 53.4124 43.9558 175.3166 88 I 4.5431 8.5469 126.7167 59.8232 39.2889 173.7609 89 D 5.6688 8.8247 127.1777 52.9094 43.3585 174.6102 90 Y 4.9936 8.4329 121.6649 55.9851 42.1868 172.7294 91 D 5.0929 8.7883 120.1430 53.2809 42.2180 177.6824 92 V 3.8666 8.6077 120.0540 63.6447 31.7515 176.6573 93 N 4.6714 8.7600 116.2083 53.1774 38.8186 175.5076 94 N 4.6786 7.8546 118.9722 51.7995 38.6567 174.7134 95 K 3.8547 8.5748 128.7760 59.6624 32.0330 177.7002 96 E 3.9771 8.2912 117.8722 59.6934 29.3822 179.0900 97 D 4.3494 8.3252 118.0188 57.2411 40.9137 178.6425 98 A 3.9893 8.4250 121.5965 55.2365 18.2921 179.4031 99 D 4.3213 8.1810 117.3507 57.5101 40.8503 179.1649 100 K 3.9419 7.7206 118.7204 59.4669 32.0520 179.6082 101 V 3.3815 7.8049 118.5816 65.7798 31.2632 177.7157 102 E 4.1182 8.4056 118.3279 59.5793 29.3946 179.3287 103 A 3.9528 8.2703 120.7097 55.0358 18.2506 179.0794 104 F 3.8838 8.1328 118.1765 61.9010 39.7999 176.5187 105 Y 3.6507 8.0887 118.7857 60.4031 38.3261 177.3172 106 E 3.8245 8.2089 119.8254 59.0824 29.8146 178.2431 107 Q 3.9693 7.6245 115.3506 57.4828 29.2412 176.8950 108 I 3.4966 6.5361 120.2752 62.1005 38.1271 177.4059 109 K 3.4804 7.0679 117.9933 59.1375 32.4438 177.3152 110 D 4.4897 7.5006 116.7327 54.6279 41.6618 176.2342 111 H 4.0621 7.5347 120.3205 56.1215 30.1891 175.8855 112 S 4.3470 8.1701 119.5644 59.6355 63.3137 174.8356 113 S 4.4199 8.1519 114.7824 59.0429 63.6780 173.7872 114 I 4.4832 7.3554 123.1294 59.8882 37.8838 174.4852 115 E 4.5850 9.2625 128.2045 54.4751 30.8431 174.9177 116 I 4.3951 8.4729 128.9788 61.6390 37.2824 175.4450 117 E 4.5093 9.4826 128.4346 57.1826 31.4325 175.7660 118 L 4.7736 7.8270 121.3158 52.4529 45.2023 173.9200 119 P 4.7962 0.0000 0.0000 62.6467 32.1378 176.1284 120 F 4.1428 8.0955 125.8053 58.6632 39.3405 174.1622 121 A 4.3894 7.7547 129.1107 50.4610 22.0374 174.6104 122 D 4.5894 8.3199 119.9115 54.6056 41.5732 176.5010 123 Q 4.5733 8.7360 123.2620 54.0906 30.6018 176.3438 124 F 3.7743 9.0375 123.9892 61.3332 39.1368 176.3831 125 W 4.4443 8.2093 116.0229 56.3633 29.2991 175.2886 126 G 3.9957 8.7165 104.8511 44.3778 0.0000 175.4373 127 G 3.7245 8.5721 109.7046 44.3815 0.0000 171.2147 128 K 5.0291 7.3464 117.0655 53.3756 36.1035 175.8207 *130 G 4.2860 8.4982 106.6643 47.0381 0.0000 172.7155 131 V 5.1745 8.8550 119.5107 61.3770 35.4310 173.8610 132 F 5.5554 8.7926 120.6436 56.3759 41.9105 172.7505 133 T 5.4221 9.4321 117.2035 62.1194 71.4533 174.6298 134 D 5.1187 9.2815 126.2015 52.2001 41.7431 176.7844 135 K 3.8875 8.0134 118.7289 59.3642 32.0216 177.4486 136 Y 4.4350 7.8622 114.3610 58.1753 37.9546 176.2996 137 G 4.0177 8.2583 108.7214 44.9599 0.0000 174.0282 138 V 3.6066 8.0244 120.7241 62.5805 32.1482 174.2802 139 R 4.8391 8.4115 127.9645 55.6048 31.5737 174.9751 140 W 5.4890 8.6440 128.5031 54.1843 32.8338 173.9164 *142 L 4.6563 8.3331 119.6023 55.8885 42.5943 176.1834 143 H 5.0774 9.7195 123.5135 54.6078 33.0660 171.9102 144 G 3.3131 9.1923 114.5444 44.3583 0.0000 171.7411 145 Q 4.5916 8.4010 126.5505 54.2134 31.8129 173.5196 146 D 4.8070 7.9770 123.3084 52.5556 43.1559 174.9444 147 Y 4.5617 8.3916 122.5295 58.1499 38.2612 175.6227 148 T 3.9493 7.7774 117.8292 62.9018 68.8838 174.1563 149 A 4.0713 8.6074 129.5337 52.3293 18.6522 177.1193 150 I 3.7595 8.4116 124.9757 63.1133 37.5591 176.3759 151 Q 4.1676 8.1515 121.3715 56.2279 28.3988 172.9066 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 -2 G 8.35 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 -1 S 7.97 4.47 0.00 3.95 3.83 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 0 H 7.88 4.57 0.00 3.09 3.23 0.00 5.95 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 F 7.76 4.46 0.00 2.94 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 3 Y 8.52 4.46 0.00 3.10 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 *5 T 8.28 4.17 4.27 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 1.22 0.00 0.00 6 A 8.26 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.97 4.44 0.00 1.49 1.41 0.88 0.61 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 8 F 8.38 4.96 0.00 3.08 2.86 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 9 P 0.00 4.53 0.00 2.01 2.09 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 10 Y 8.50 4.78 0.00 2.96 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 11 I 8.42 4.08 1.30 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.35 -0.08 0.00 0.00 12 A 8.30 4.65 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 13 F 8.70 4.65 0.00 2.86 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 14 E 9.07 3.80 0.00 2.02 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 2.39 2.30 0.00 15 N 7.80 4.72 0.00 2.66 2.59 0.00 0.00 7.19 7.79 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 16 S 9.30 3.91 0.00 3.87 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 17 K 7.91 3.90 0.00 1.76 1.92 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 18 E 8.61 3.89 0.00 2.00 2.01 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 2.32 2.49 0.00 19 A 7.44 3.55 -0.07 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 20 L 8.31 3.72 0.00 1.72 1.61 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.83 3.93 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 22 Y 8.19 3.96 0.00 3.02 3.12 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 0.00 0.00 0.00 0.00 23 Y 7.72 3.47 0.00 2.39 2.46 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 0.00 0.00 0.00 0.00 24 E 8.27 4.13 0.00 2.22 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 0.00 2.29 2.36 0.00 25 E 7.70 3.94 0.00 2.13 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 2.29 2.16 0.00 26 V 7.53 3.65 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 0.44 0.00 0.00 0.51 0.00 0.00 27 F 8.03 4.51 0.00 3.15 3.27 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 28 G 7.68 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 29 A 8.14 4.42 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 30 T 8.53 4.77 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 1.25 0.00 0.00 31 D 8.70 4.35 0.00 2.84 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 32 V 7.93 4.14 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 0.78 0.00 0.00 1.01 0.00 0.00 33 K 8.91 4.69 0.00 1.73 1.65 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.49 7.81 34 R 8.61 4.66 0.00 1.75 1.75 0.00 3.17 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 35 L 9.15 4.63 0.00 1.65 1.77 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.55 4.83 0.00 1.99 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 2.27 2.14 0.00 37 V 8.14 3.68 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 0.55 0.00 0.00 0.41 0.00 0.00 38 G 9.25 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 39 E 8.95 3.88 0.00 2.02 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 2.40 2.37 0.00 40 E 8.09 4.52 0.00 2.01 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 2.26 2.27 0.00 41 Q 7.83 4.46 0.00 2.32 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 42 A 7.65 4.14 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 43 S 8.18 4.16 0.00 4.07 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 44 H 8.08 4.19 0.00 3.15 3.29 0.00 5.76 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.93 4.44 0.00 3.03 2.99 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 46 G 7.43 3.63 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 0.00 0.00 0.00 *48 T 7.22 4.15 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 49 K 8.35 4.01 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.60 7.81 50 E 8.01 4.00 0.00 1.93 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 0.00 2.32 2.46 0.00 51 E 8.18 4.11 0.00 2.04 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 2.42 2.39 0.00 52 A 8.01 3.97 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 53 Q 7.66 4.00 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 54 E 7.73 4.16 0.00 2.14 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 2.54 2.46 0.00 55 A 7.18 4.84 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 56 T 8.71 5.04 4.36 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 1.23 0.00 0.00 *58 H 8.51 4.85 0.00 3.34 3.27 0.00 5.62 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 59 A 8.69 5.24 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 60 E 9.10 5.10 0.00 1.80 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 2.13 2.21 0.00 61 F 8.41 5.19 0.00 3.11 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 62 E 9.29 5.14 0.00 2.09 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 2.23 2.34 0.00 63 V 8.60 4.66 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 1.02 0.00 0.00 1.05 0.00 0.00 64 L 9.80 3.64 0.00 1.55 1.56 0.16 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.58 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 0.00 0.00 0.00 66 V 7.86 4.47 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 0.84 0.00 0.00 1.12 0.00 0.00 67 K 8.59 4.90 0.00 1.90 1.93 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.14 1.34 7.81 68 V 8.17 4.30 0.67 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 0.56 0.00 0.00 0.86 0.00 0.00 69 L 8.17 5.05 0.00 1.38 1.11 0.97 0.22 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 70 C 8.26 4.56 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 71 S 8.21 4.51 0.00 4.17 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 72 D 7.94 4.77 0.00 1.58 1.81 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 73 S 8.89 4.21 0.00 3.81 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 74 F 7.01 3.73 0.00 3.38 2.46 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 0.00 0.00 0.00 0.00 75 G 9.19 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 0.00 0.00 0.00 0.00 76 R 8.04 4.40 0.00 2.12 2.05 0.00 3.17 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 77 A 7.63 4.81 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 78 D 8.45 4.53 0.00 2.68 2.62 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 79 K 8.39 4.02 0.00 1.73 1.73 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.51 7.81 80 I 8.34 3.84 2.09 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.92 0.00 0.00 81 N 8.43 5.25 0.00 2.76 2.81 0.00 0.00 6.13 8.04 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 82 N 8.66 4.93 0.00 2.81 2.93 0.00 0.00 5.84 7.00 0.00 0.00 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 G 8.69 3.65 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 0.00 0.00 0.00 84 I 7.51 4.32 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.85 0.00 0.00 85 S 8.40 4.62 0.00 3.69 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 86 L 8.28 4.47 0.00 0.82 1.29 0.13 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.52 4.92 0.00 1.67 1.58 0.93 1.18 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 88 I 8.55 4.54 1.99 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 1.40 0.88 0.96 0.00 0.00 89 D 8.82 5.67 0.00 2.75 2.62 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 90 Y 8.43 4.99 0.00 3.19 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 91 D 8.79 5.09 0.00 2.99 2.73 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 92 V 8.61 3.87 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 0.50 0.00 0.00 0.89 0.00 0.00 93 N 8.76 4.67 0.00 2.87 2.89 0.00 0.00 6.87 7.62 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 94 N 7.85 4.68 0.00 2.81 3.02 0.00 0.00 6.77 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 95 K 8.57 3.85 0.00 1.89 1.85 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.59 7.81 96 E 8.29 3.98 0.00 2.28 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 0.00 2.42 2.49 0.00 97 D 8.33 4.35 0.00 2.92 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 98 A 8.42 3.99 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 99 D 8.18 4.32 0.00 2.89 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 0.00 100 K 7.72 3.94 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.59 7.81 101 V 7.80 3.38 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 0.56 0.00 0.00 0.27 0.00 0.00 102 E 8.41 4.12 0.00 2.28 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 2.73 2.58 0.00 103 A 8.27 3.95 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 0.00 104 F 8.13 3.88 0.00 2.92 3.26 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 0.00 105 Y 8.09 3.65 0.00 2.91 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 0.00 106 E 8.21 3.82 0.00 2.20 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 2.32 2.31 0.00 107 Q 7.62 3.97 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.61 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 108 I 6.54 3.50 0.66 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.42 -0.25 0.00 0.00 109 K 7.07 3.48 0.00 1.56 0.83 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.99 1.13 7.81 110 D 7.50 4.49 0.00 2.54 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 0.00 111 H 7.53 4.06 0.00 3.01 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.17 4.35 0.00 3.96 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 0.00 113 S 8.15 4.42 0.00 4.06 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 0.00 114 I 7.36 4.48 1.77 0.00 0.00 1.00 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 0.77 0.79 0.00 0.00 115 E 9.26 4.59 0.00 2.09 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 0.00 2.30 2.33 0.00 116 I 8.47 4.40 1.97 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 1.26 0.97 1.11 0.00 0.00 117 E 9.48 4.51 0.00 2.09 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 0.00 2.32 2.31 0.00 118 L 7.83 4.77 0.00 1.85 1.59 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.80 0.00 2.05 2.13 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 120 F 8.10 4.14 0.00 1.51 1.64 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 0.00 121 A 7.75 4.39 1.21 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 0.00 0.00 122 D 8.32 4.59 0.00 2.59 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 0.00 123 Q 8.74 4.57 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 124 F 9.04 3.77 0.00 2.81 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 0.00 125 W 8.21 4.44 0.00 3.40 3.23 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 0.00 126 G 8.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.35 5.03 0.00 1.66 1.17 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.13 1.05 7.81 *130 G 8.50 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 0.00 0.00 0.00 0.00 131 V 8.86 5.17 2.22 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 1.20 0.00 0.00 1.04 0.00 0.00 132 F 8.79 5.56 0.00 3.46 3.27 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 0.00 133 T 9.43 5.42 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 0.00 134 D 9.28 5.12 0.00 3.62 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 0.00 135 K 8.01 3.89 0.00 1.47 1.38 0.00 1.32 0.00 0.00 0.66 0.00 0.00 2.23 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.30 0.61 7.81 136 Y 7.86 4.43 0.00 3.45 3.29 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 0.00 137 G 8.26 4.02 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 0.00 0.00 0.00 138 V 8.02 3.61 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 0.25 0.00 0.00 1.13 0.00 0.00 139 R 8.41 4.84 0.00 1.94 1.72 0.00 3.22 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 140 W 8.64 5.49 0.00 2.12 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 *142 L 8.33 4.66 0.00 1.66 1.70 0.66 0.94 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 0.00 143 H 9.72 5.08 0.00 3.24 3.22 0.00 5.58 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 0.00 144 G 9.19 3.31 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 0.00 145 Q 8.40 4.59 0.00 1.73 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 1.36 1.89 0.00 146 D 7.98 4.81 0.00 2.52 2.37 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 0.00 147 Y 8.39 4.56 0.00 3.08 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 0.00 148 T 7.78 3.95 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 1.22 0.00 0.00 149 A 8.61 4.07 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 0.00 150 I 8.41 3.76 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.62 1.06 0.00 0.00 151 Q 8.15 4.17 0.00 2.27 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.