NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6326 8.4645 119.5657 53.2714 42.0736 176.8196 5 N 4.7419 8.1122 113.7388 49.6307 37.8110 171.0114 6 V 4.4432 7.4608 118.0574 60.9370 34.6169 175.0192 7 T 4.5787 8.2510 113.7474 59.6128 71.2031 174.5046 8 G 3.6966 8.6011 108.7785 46.0867 0.0000 173.6207 9 G 4.4978 6.6321 111.5362 45.1268 0.0000 172.5530 10 D 4.4738 8.2713 120.0173 56.9653 41.7414 177.5877 11 N 4.9914 7.5815 116.5478 52.0103 39.1593 174.3942 12 V 4.1160 7.8815 111.6180 60.9351 32.5679 175.0457 13 P 4.6972 0.0000 0.0000 63.1834 31.7688 177.3389 14 K 4.2231 7.9609 121.5092 57.0976 31.8649 181.7012 15 E 5.1799 8.6598 117.8277 54.5503 33.7756 175.1736 16 I 4.8738 8.7849 116.6445 59.1160 41.4841 174.0572 17 N 5.0326 8.7309 122.2993 52.8167 40.0656 174.1730 18 V 4.2805 8.6513 123.5071 61.0184 34.8028 174.1980 19 I 4.3443 7.8769 129.3232 60.1897 38.3892 175.2272 20 I 4.1676 8.4557 129.2767 61.5303 37.6480 176.5374 21 E 4.6214 9.5132 126.3335 57.5579 31.8923 176.2920 22 I 4.7369 7.4879 119.1043 59.4474 41.0866 175.3459 23 S 4.9556 8.8216 123.0553 57.9838 63.5337 174.2542 24 Q 4.3235 9.0808 121.1237 56.7079 30.0102 175.4975 25 N 4.1200 8.4404 116.1735 54.2097 36.7951 174.8794 26 S 4.6490 7.3080 111.6442 56.6400 64.8847 173.3276 27 C 4.3240 8.4129 118.2379 59.7095 28.8801 172.9425 28 P 4.8237 0.0000 0.0000 62.5802 29.0897 177.2408 29 V 3.8741 7.4846 119.3183 61.0247 33.1282 176.3735 30 K 4.2664 8.7294 131.8682 55.9561 32.1195 175.4627 31 Y 5.0240 8.2855 124.7160 57.5373 39.5713 174.8455 32 E 5.1010 9.3357 122.1530 54.7580 33.6596 173.9989 33 F 3.9180 9.4620 130.2018 58.0320 40.3373 173.8009 34 D 4.4827 7.7869 129.0167 52.9506 41.9212 177.4375 35 K 4.0236 8.7126 128.5148 57.8453 32.0263 174.9184 36 E 4.1567 8.1554 117.9197 59.0868 29.5163 178.5235 37 K 3.9806 8.1226 116.7230 56.8387 32.4202 176.3869 38 N 4.0401 7.8330 116.1201 53.8843 37.7915 173.2622 39 L 4.6847 6.5149 113.2414 52.7334 46.7895 175.7433 40 F 4.6818 8.7934 119.9871 57.8204 39.7816 174.7677 41 C 5.0359 9.2604 120.0749 57.6827 32.4049 173.7770 42 V 3.7846 8.4468 121.7279 62.8728 30.7614 175.3498 43 D 4.6119 9.1502 129.6624 56.6494 41.4398 176.2124 44 R 4.5286 7.3238 111.8701 55.3279 32.4653 173.1081 45 F 4.7653 8.8511 119.2596 56.6312 39.6694 175.8379 46 L 4.2997 9.0037 124.7113 54.2452 42.3296 176.3034 47 P 4.6045 0.0000 0.0000 63.6763 31.7192 175.9958 48 T 4.6615 7.2248 108.4105 59.9255 71.4924 175.1002 49 S 4.5941 8.4323 119.0736 58.0314 61.6261 173.0412 50 M 4.9865 7.6554 121.3923 54.2188 36.0362 174.8885 51 Y 5.0322 7.5723 117.4622 54.8440 41.4525 174.8620 52 Y 2.5770 8.6430 119.0839 57.3830 38.2515 175.7860 53 P 4.3309 0.0000 0.0000 64.7187 31.9820 175.2995 54 C 5.2984 7.4344 114.5939 57.0050 32.9522 173.3663 55 N 4.7465 8.7446 117.9461 54.2013 39.3389 173.7894 56 Y 5.1169 8.9552 124.2533 56.1293 42.0391 174.2146 57 G 4.2037 8.0726 113.2304 47.0770 0.0000 171.7928 58 F 5.4472 8.1705 116.4290 55.4135 42.5609 174.1006 59 I 4.7180 8.7700 120.9267 58.3074 38.2517 174.0969 60 P 4.4834 0.0000 0.0000 64.3101 31.6316 175.6442 61 H 4.1735 8.7380 117.0873 57.4817 25.9660 174.4844 62 T 4.8362 7.3607 106.7385 60.3616 71.9388 173.2777 63 C 4.8634 9.0996 122.9694 58.2539 34.3735 173.3871 64 A 4.4651 9.2314 131.0676 51.3571 20.1849 177.6085 65 G 3.4754 8.8550 104.2841 49.0728 0.0000 175.0663 66 D 4.3349 8.0071 117.4277 54.0080 39.2120 177.1698 67 G 4.0132 8.0347 108.5824 45.6204 0.0000 173.7357 68 D 4.7250 8.7838 119.9677 52.8500 42.4217 174.6361 69 P 4.9232 0.0000 0.0000 61.8735 32.6392 176.3763 70 V 3.7658 8.8510 122.7781 63.3467 32.6025 174.8398 71 D 5.2180 8.7103 127.3815 53.4792 43.0355 175.4920 72 V 4.8990 8.5053 121.5359 61.2225 35.2820 173.9645 73 L 5.0262 9.3767 128.3275 53.8601 43.3533 175.6600 74 V 4.7546 9.0989 124.7082 60.8124 33.2645 174.6985 75 A 4.4411 8.5963 131.2012 52.1982 18.8780 176.5092 76 S 4.6613 8.4122 114.3845 57.2619 65.9292 174.6170 77 R 3.8307 8.5478 119.4518 58.0452 30.1584 177.0886 78 F 4.9205 7.2928 113.8121 54.6068 43.0323 172.7653 79 P 4.5533 0.0000 0.0000 62.8233 31.7817 176.0198 80 V 4.3925 8.5489 122.0347 60.8412 33.5879 175.6784 81 M 4.2121 8.2677 123.7146 54.7001 31.9617 175.8853 82 S 4.1728 8.1386 116.9892 60.4037 63.3282 174.4844 83 G 4.0989 9.1036 113.1393 45.1589 0.0000 173.8506 84 A 4.2552 7.5980 121.1547 51.6403 19.8367 176.6868 85 V 4.4699 8.1877 120.8841 61.8042 32.9277 174.9582 86 I 4.5475 8.5476 127.8855 59.1050 41.4070 174.3123 87 R 4.6912 8.5528 127.7998 55.8675 31.2292 175.3390 88 A 5.4337 9.3376 125.6057 49.9809 23.6129 174.4230 89 R 4.9667 9.1705 115.1328 53.6710 32.5778 173.4400 90 P 4.9112 0.0000 0.0000 63.1887 32.2776 176.3574 91 V 4.4897 9.7860 112.9464 60.2739 34.3841 175.2404 92 G 4.5156 7.6348 107.6227 46.6328 0.0000 171.8736 93 V 4.9987 8.0778 118.3827 60.0830 35.1637 173.7447 94 L 3.6083 8.6508 126.9194 53.4505 43.4160 174.9777 95 V 4.4290 8.1020 127.0698 61.4884 33.3847 174.4130 96 M 5.1755 8.7551 126.3536 53.8127 36.8795 173.4860 97 H 5.1635 9.6195 121.9254 54.6108 31.9716 174.5468 98 D 4.5516 8.3461 122.6592 53.7836 41.5144 175.7224 *102 E 4.1435 7.8819 118.1415 55.8303 30.6564 174.2473 103 D 4.5758 9.5023 124.9469 53.1061 44.2023 174.2478 104 V 4.8381 8.3956 119.0610 59.5169 34.5565 175.7177 105 K 4.5971 8.5420 122.6884 54.3535 35.3445 175.9258 106 I 4.2458 8.5779 127.0728 61.3757 38.5649 174.8448 107 L 5.2721 9.0265 128.6129 53.5688 44.1443 175.0536 108 A 5.2658 9.2925 126.9148 50.5951 23.5069 174.7276 109 V 4.6408 8.6155 111.4173 58.5133 35.9396 174.0157 110 P 4.8771 0.0000 0.0000 62.7859 32.0000 176.7777 111 T 4.2369 8.4604 113.0832 61.2824 69.5567 175.2655 112 H 4.3970 8.9368 120.8601 59.4493 28.3412 177.9959 113 K 3.9856 7.6522 125.2602 59.4291 31.5563 181.9247 114 V 4.2002 7.8118 118.5414 63.9151 31.6219 176.1138 115 D 4.6674 7.3780 117.9777 53.2328 43.9421 175.3002 116 Q 4.3127 8.8344 124.5098 56.8253 29.3217 177.2038 117 Y 3.8445 8.1624 119.5897 60.5667 38.8618 176.4973 118 Y 4.5342 7.6853 114.6912 57.6512 38.3110 176.7135 119 N 4.2646 8.1545 120.6216 56.5693 38.6877 176.2036 120 N 4.4439 7.9014 111.7247 53.3318 37.9237 174.9026 121 I 3.9605 7.7470 121.5328 60.4313 36.5179 175.2773 122 K 4.4325 8.7833 125.1156 56.4513 33.8016 176.3087 123 D 4.9298 7.5846 117.0092 52.4220 44.4641 175.1060 124 Y 4.2993 8.8201 122.4447 60.1148 37.9203 178.7143 125 S 3.9607 6.1004 112.4351 59.8977 63.0634 174.9686 126 D 4.3473 7.5778 120.6908 56.4345 40.7922 176.8987 127 F 4.5963 7.7526 117.6359 56.0815 39.8914 173.5403 128 P 4.4255 0.0000 0.0000 62.9319 31.9172 178.1695 129 V 3.7269 8.6021 122.5842 64.9428 31.1844 178.7133 130 S 4.2546 8.1919 114.5031 61.2631 62.7515 176.3012 131 F 4.3113 8.2099 123.9694 61.1611 39.3517 177.0703 132 L 3.6353 7.8970 118.1030 57.9470 41.3599 179.2268 133 N 4.5494 8.7508 116.7560 56.2991 38.4583 177.4131 134 S 4.1099 8.1718 114.7210 61.3187 62.3071 176.3772 135 I 3.6587 7.6460 122.6311 64.4480 36.9137 178.6324 136 S 4.2012 8.2462 114.8324 61.5498 62.8252 175.7987 137 H 4.1508 8.5630 122.0130 59.0428 29.6188 176.6716 138 F 3.8527 8.1079 122.2252 61.6046 38.9456 177.2341 139 F 3.6769 7.5488 114.9769 59.8252 38.7085 177.8619 140 T 3.7922 7.3816 114.8871 66.0666 68.3825 176.0008 141 F 4.8372 7.4820 115.8912 57.4470 39.9209 176.3071 142 Y 3.8301 7.9187 118.9664 59.2723 38.2300 176.4946 *151 V 3.9768 7.5370 118.8149 61.3387 33.1775 180.2724 152 S 4.6373 9.2764 121.8558 55.3173 65.3762 173.0461 153 V 4.2687 8.4292 129.7486 61.3008 31.5234 176.5148 154 E 3.9781 8.8583 125.4162 58.7689 30.5449 172.2552 155 G 3.6610 7.5516 103.4656 43.6598 0.0000 171.9971 156 W 4.7898 8.4841 121.3897 56.0795 30.5560 176.9287 157 K 4.9514 8.7026 125.7075 53.2881 36.4599 175.1440 158 D 5.4462 8.6851 119.7697 53.2514 41.3181 177.5654 159 V 3.7551 8.9208 118.8143 65.6454 30.9171 178.6843 160 T 4.0353 8.0094 115.6107 66.3958 68.2975 176.6721 161 V 3.6175 8.2052 120.0357 65.8739 31.5362 177.9532 162 A 4.0082 7.9723 120.0852 55.2652 18.1872 179.4158 163 E 4.0168 8.5867 119.6836 60.1162 29.4348 180.5112 164 K 4.0295 8.0899 123.7357 59.6818 31.6024 181.2455 165 L 4.1818 7.9992 119.7082 57.8054 41.7466 179.4923 166 I 3.8830 7.9510 119.6445 64.3123 37.0237 178.4845 167 L 4.0262 8.1947 120.2887 57.8265 41.2781 179.7356 168 S 4.2413 8.2422 112.6568 60.5659 63.2036 175.3226 169 A 4.6319 7.5309 124.2430 51.6073 18.5596 177.1672 170 L 4.1504 7.6558 122.9207 54.8994 41.7569 176.8253 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 4 D 8.46 4.63 0.00 2.71 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 5 N 8.11 4.74 0.00 2.81 2.72 0.00 0.00 6.43 6.79 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 6 V 7.46 4.44 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 0.87 0.00 0.00 0.87 0.00 0.00 7 T 8.25 4.58 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 8 G 8.60 3.70 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 0.00 0.00 0.00 9 G 6.63 4.50 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 0.00 0.00 0.00 10 D 8.27 4.47 0.00 2.68 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 11 N 7.58 4.99 0.00 2.75 2.73 0.00 0.00 7.22 7.71 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 12 V 7.88 4.12 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 0.83 0.00 0.00 0.94 0.00 0.00 13 P 0.00 4.70 0.00 2.18 2.15 0.00 3.78 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 1.94 1.95 0.00 14 K 7.96 4.22 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 15 E 8.66 5.18 0.00 1.83 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 2.23 2.24 0.00 16 I 8.78 4.87 1.85 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 1.23 1.17 0.92 0.00 0.00 17 N 8.73 5.03 0.00 2.76 2.69 0.00 0.00 6.36 7.21 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 18 V 8.65 4.28 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 0.93 0.00 0.00 0.87 0.00 0.00 19 I 7.88 4.34 0.56 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.32 0.78 0.00 0.00 20 I 8.46 4.17 1.98 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 1.17 0.90 0.95 0.00 0.00 21 E 9.51 4.62 0.00 2.27 2.44 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 0.00 2.92 2.72 0.00 22 I 7.49 4.74 1.59 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.77 0.00 0.00 23 S 8.82 4.96 0.00 3.79 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 24 Q 9.08 4.32 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.35 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 25 N 8.44 4.12 0.00 2.76 2.69 0.00 0.00 6.91 7.41 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 26 S 7.31 4.65 0.00 3.93 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 27 C 8.41 4.32 0.00 3.10 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 28 P 0.00 4.82 0.00 2.23 2.33 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 29 V 7.48 3.87 1.70 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 -0.49 0.00 0.00 0.89 0.00 0.00 30 K 8.73 4.27 0.00 2.00 1.85 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.58 7.81 31 Y 8.29 5.02 0.00 3.18 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 32 E 9.34 5.10 0.00 2.11 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 2.22 2.49 0.00 33 F 9.46 3.92 0.00 2.87 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 34 D 7.79 4.48 0.00 2.53 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 0.00 0.00 0.00 0.00 35 K 8.71 4.02 0.00 1.81 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.04 7.81 36 E 8.16 4.16 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 2.26 2.24 0.00 37 K 8.12 3.98 0.00 1.57 1.75 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.41 7.81 38 N 7.83 4.04 0.00 2.79 2.85 0.00 0.00 6.96 8.11 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 39 L 6.51 4.68 0.00 1.44 1.43 0.90 1.13 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 40 F 8.79 4.68 0.00 2.99 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 41 C 9.26 5.04 0.00 2.83 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 42 V 8.45 3.78 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 0.20 0.00 0.00 0.90 0.00 0.00 43 D 9.15 4.61 0.00 2.72 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 44 R 7.32 4.53 0.00 1.89 1.95 0.00 2.99 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 45 F 8.85 4.77 0.00 2.95 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 46 L 9.00 4.30 0.00 1.71 1.67 1.20 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.60 0.00 2.15 2.15 0.00 3.65 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 1.92 1.88 0.00 48 T 7.22 4.66 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 1.23 0.00 0.00 49 S 8.43 4.59 0.00 4.06 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 50 M 7.66 4.99 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 51 Y 7.57 5.03 0.00 3.21 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 52 Y 8.64 2.58 0.00 3.07 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 53 P 0.00 4.33 0.00 2.01 1.85 0.00 2.85 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.45 0.00 54 C 7.43 5.30 0.00 2.95 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 55 N 8.74 4.75 0.00 2.76 2.78 0.00 0.00 6.81 7.36 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 56 Y 8.96 5.12 0.00 3.09 2.56 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 57 G 8.07 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 0.00 0.00 0.00 58 F 8.17 5.45 0.00 3.07 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 59 I 8.77 4.72 1.90 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 0.87 1.72 0.96 0.00 0.00 60 P 0.00 4.48 0.00 2.04 1.93 0.00 3.91 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.78 0.00 61 H 8.74 4.17 0.00 3.37 3.46 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.36 4.84 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 1.24 0.00 0.00 63 C 9.10 4.86 0.00 2.95 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 64 A 9.23 4.47 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 65 G 8.85 3.48 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 0.00 0.00 0.00 0.00 66 D 8.01 4.33 0.00 2.86 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 67 G 8.03 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 68 D 8.78 4.72 0.00 2.84 2.56 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 69 P 0.00 4.92 0.00 1.91 2.24 0.00 3.60 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 70 V 8.85 3.77 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 0.94 0.00 0.00 0.94 0.00 0.00 71 D 8.71 5.22 0.00 2.67 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 72 V 8.51 4.90 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 1.06 0.00 0.00 0.95 0.00 0.00 73 L 9.38 5.03 0.00 1.76 1.75 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 V 9.10 4.75 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 0.92 0.00 0.00 0.92 0.00 0.00 75 A 8.60 4.44 1.22 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 0.00 0.00 76 S 8.41 4.66 0.00 4.01 3.82 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 77 R 8.55 3.83 0.00 1.57 1.22 0.00 2.73 0.00 0.00 2.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.55 0.00 78 F 7.29 4.92 0.00 3.06 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 79 P 0.00 4.55 0.00 2.08 2.16 0.00 3.83 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 2.08 2.23 0.00 80 V 8.55 4.39 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 0.79 0.00 0.00 1.02 0.00 0.00 81 M 8.27 4.21 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 82 S 8.14 4.17 0.00 3.25 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 83 G 9.10 4.10 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 0.00 0.00 0.00 84 A 7.60 4.26 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 85 V 8.19 4.47 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 0.70 0.00 0.00 0.85 0.00 0.00 86 I 8.55 4.55 1.85 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 1.22 1.60 0.91 0.00 0.00 87 R 8.55 4.69 0.00 1.80 1.83 0.00 3.10 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 88 A 9.34 5.43 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 89 R 9.17 4.97 0.00 1.89 2.08 0.00 2.81 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 90 P 0.00 4.91 0.00 2.16 2.14 0.00 3.86 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 2.03 2.10 0.00 91 V 9.79 4.49 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.14 2.38 0.00 103 D 9.50 4.58 0.00 2.62 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 0.00 104 V 8.40 4.84 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 0.70 0.00 0.00 0.89 0.00 0.00 105 K 8.54 4.60 0.00 1.31 1.56 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.86 0.31 7.81 106 I 8.58 4.25 1.89 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 1.25 0.92 0.97 0.00 0.00 107 L 9.03 5.27 0.00 2.15 1.84 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 A 9.29 5.27 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 0.00 109 V 8.62 4.64 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 0.79 0.00 0.00 0.98 0.00 0.00 110 P 0.00 4.88 0.00 2.06 2.04 0.00 3.27 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 111 T 8.46 4.24 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 1.18 0.00 0.00 112 H 8.94 4.40 0.00 3.42 3.55 0.00 5.73 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 0.00 113 K 7.65 3.99 0.00 1.88 1.78 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.07 7.81 114 V 7.81 4.20 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 1.00 0.00 0.00 0.93 0.00 0.00 115 D 7.38 4.67 0.00 2.82 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 0.00 116 Q 8.83 4.31 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.62 0.00 0.00 0.00 0.00 0.00 2.72 2.35 0.00 117 Y 8.16 3.84 0.00 2.87 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 0.00 118 Y 7.69 4.53 0.00 3.02 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 0.00 119 N 8.15 4.26 0.00 2.76 2.87 0.00 0.00 6.75 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1.21 0.00 0.00 136 S 8.25 4.20 0.00 4.07 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 0.00 137 H 8.56 4.15 0.00 3.42 3.63 0.00 5.60 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 0.00 138 F 8.11 3.85 0.00 2.79 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 0.00 139 F 7.55 3.68 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 0.00 140 T 7.38 3.79 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 0.06 0.00 0.00 141 F 7.48 4.84 0.00 2.97 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 0.00 142 Y 7.92 3.83 0.00 2.54 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 0.00 0.00 0.00 *151 V 7.54 3.98 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 0.71 0.00 0.00 0.93 0.00 0.00 152 S 9.28 4.64 0.00 3.76 3.68 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 0.00 153 V 8.43 4.27 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 0.66 0.00 0.00 0.74 0.00 0.00 154 E 8.86 3.98 0.00 1.77 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 2.26 2.14 0.00 155 G 7.55 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 W 8.48 4.79 0.00 2.82 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 0.00 0.00 0.00 157 K 8.70 4.95 0.00 1.38 1.60 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.22 7.81 158 D 8.69 5.45 0.00 3.08 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 0.00 159 V 8.92 3.76 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 0.87 0.00 0.00 1.03 0.00 0.00 160 T 8.01 4.04 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 1.24 0.00 0.00 161 V 8.21 3.62 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 1.11 0.00 0.00 1.00 0.00 0.00 162 A 7.97 4.01 1.45 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 0.00 0.00 163 E 8.59 4.02 0.00 2.23 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 2.51 2.52 0.00 164 K 8.09 4.03 0.00 1.78 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 165 L 8.00 4.18 0.00 1.77 1.77 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.95 3.88 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.92 0.00 0.00 167 L 8.19 4.03 0.00 1.83 1.72 0.93 0.92 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 0.00 168 S 8.24 4.24 0.00 4.02 4.08 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 0.00 169 A 7.53 4.63 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 0.00 170 L 7.66 4.15 0.00 1.80 1.60 0.93 0.88 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 * Residues marked with a * may have inaccurate shift predictions.