NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 F 4.8608 8.1827 119.3470 57.1373 40.7623 172.9536 15 K 4.6516 8.2785 124.4854 55.0976 33.4517 173.6748 16 L 5.4345 9.3913 130.2924 53.2053 45.4531 174.6521 17 V 5.1697 8.7599 125.6780 60.0615 34.0187 174.4407 18 F 4.7492 9.5230 123.9355 56.2011 40.4596 174.9631 19 L 4.1998 10.1135 124.0403 52.0200 45.1153 175.5595 20 G 4.2662 6.5531 109.5863 44.0588 0.0000 172.7917 21 E 4.3271 8.3835 121.1854 55.8677 30.2079 176.6609 22 Q 4.4785 8.3546 121.2760 57.4257 29.4493 176.6666 23 S 4.1819 8.8693 117.3140 58.6782 60.8573 170.3627 24 V 3.8108 7.3852 112.2481 62.7024 31.7127 176.9936 25 G 4.3031 8.5624 109.0630 45.6199 0.0000 175.6955 26 K 4.0021 8.5633 120.5649 59.8157 31.9540 179.1685 27 T 3.8767 7.7904 115.1586 66.7980 68.3494 176.8062 28 S 4.1927 8.0623 116.5592 61.5549 62.8828 176.6484 29 L 4.1022 8.2071 121.8958 57.7812 41.3215 179.6177 30 I 3.6426 7.4177 119.3704 64.6167 37.0485 178.5725 31 T 3.8889 8.0990 116.8085 66.6843 68.3289 176.6196 32 R 4.1100 8.3802 120.8720 59.4476 29.8939 178.4033 33 F 4.2085 8.0000 119.4127 61.5338 39.4437 176.8496 34 M 3.5874 7.8918 117.5980 57.3443 31.7661 176.7946 35 Y 4.7518 7.5694 112.4543 56.7076 39.5211 174.9718 36 D 4.5739 8.1586 118.7657 55.2956 38.9740 173.3617 37 S 4.7808 7.9783 110.2331 56.9097 66.3327 173.7971 38 F 4.5809 8.4738 123.2928 57.6614 39.6824 172.2829 39 D 4.3905 7.7434 126.2482 52.8690 41.6310 175.1924 40 N 4.8027 8.4622 115.7276 53.6414 38.7298 175.9875 41 T 4.0748 8.1646 109.7403 62.4181 69.6473 173.8909 *50 F 4.3405 7.6080 116.1679 56.5716 39.2982 173.8427 51 L 4.7920 8.5628 117.0676 53.1823 45.2947 176.3963 52 S 5.3096 8.6283 118.5775 57.4300 65.2856 173.7652 53 K 4.3923 8.7577 122.7866 55.9581 35.9557 174.1675 54 T 4.9036 8.5373 124.2363 62.1948 70.3244 173.7836 55 M 4.5798 8.9411 125.5310 53.5772 35.5890 174.4367 56 Y 5.0390 8.4381 118.6629 56.3701 40.9110 175.3908 57 L 4.2674 8.7445 125.6812 53.7190 42.7525 177.5135 58 E 3.8551 8.8444 117.3395 59.3053 27.7187 174.0558 59 D 5.2144 9.0248 129.9321 54.3894 39.0121 175.9309 60 R 4.6588 7.7628 116.7231 55.1029 31.8711 175.2142 61 T 5.1053 8.0710 108.4674 60.1623 72.3187 173.2988 62 V 4.4464 8.6574 123.1961 61.3492 34.6391 174.2543 63 R 4.9386 9.0029 127.3271 55.0356 31.2375 175.6252 64 L 4.9827 9.2447 125.1215 53.1922 44.4847 175.7870 65 Q 4.8541 8.9349 124.6913 54.4783 30.7391 173.9973 66 L 5.0556 9.4414 128.6318 53.9063 43.3888 176.0372 67 W 5.1293 9.7945 124.4820 54.9194 31.9694 174.0187 68 D 5.3068 9.0448 124.7513 52.6943 42.3238 175.8251 69 T 3.6747 8.1568 113.8287 61.1043 69.3030 174.3942 70 A 4.2678 7.9011 125.9275 54.4517 18.5628 178.5324 71 G 4.0487 9.5937 111.3066 45.6257 0.0000 173.9167 72 Q 4.8768 8.3016 117.1462 55.2947 30.8251 177.0145 73 E 4.1965 8.3991 119.2571 59.5910 29.5630 179.2650 74 R 4.0656 7.6717 112.5479 57.6992 30.2236 176.4535 75 F 4.9539 7.6162 118.6006 56.5723 40.2346 176.6697 *77 S 4.4883 8.3717 116.7412 57.8323 64.9007 174.9507 78 L 4.5566 8.0295 120.7758 55.9759 40.6963 178.3212 79 I 4.1303 7.8070 121.6954 64.4193 37.1834 175.8277 80 P 4.3224 0.0000 0.0000 65.8705 30.8975 178.6187 81 S 4.0709 7.5032 110.7931 61.5967 62.8249 175.9934 82 Y 3.8967 7.6937 118.8884 60.8431 37.9670 178.0606 83 I 3.9103 7.9019 120.7297 63.2515 37.4033 176.9319 84 R 3.9269 7.6224 117.7846 58.1515 30.2815 176.4868 85 D 4.4717 8.7841 119.5769 54.7755 38.7810 174.1047 86 S 4.5084 8.0954 116.5023 58.6726 63.5854 174.2349 87 T 4.4941 8.8186 114.0960 62.2938 70.5944 174.4829 88 V 5.0172 7.6989 122.0174 61.1019 35.4145 173.4146 89 A 5.0350 9.2330 129.4435 50.0902 21.9793 174.8439 90 V 4.1817 8.4449 123.7537 61.2017 33.4262 174.8116 91 V 4.5175 8.4587 129.9451 61.5377 32.6474 174.5345 92 V 4.9688 8.7972 129.2392 61.3563 33.9637 174.0003 93 Y 5.0429 8.8396 124.5319 55.3964 42.4023 173.2134 94 D 5.3141 9.0372 119.7851 52.3680 42.6059 177.1649 95 I 3.9870 8.7696 120.5536 63.1215 37.6413 177.1369 96 T 4.5859 8.4249 110.0172 60.8281 69.2084 174.6578 97 N 4.8557 8.3459 121.5974 51.2241 40.4989 173.6725 98 L 4.0493 8.5176 130.1124 58.2015 42.1297 177.9686 99 N 4.4770 8.3117 116.5857 56.8596 38.7412 176.7821 100 S 4.2472 8.8769 114.7498 61.3724 63.2620 176.1098 101 F 4.0916 8.0970 124.1912 61.2791 39.0613 177.2415 102 Q 3.7392 8.3427 117.8184 58.9330 28.5310 178.5757 103 Q 4.0865 8.4133 118.4952 57.8616 28.6860 178.3013 104 T 4.2257 7.8188 111.4506 64.5968 68.5621 176.6692 105 S 4.0066 7.6322 118.7027 61.1767 62.7664 176.3090 106 K 3.6822 7.5505 121.8223 59.3218 31.8972 178.9642 107 W 4.3950 7.6742 118.6083 59.9043 28.9830 178.5339 108 I 3.8096 8.2762 120.2512 64.2402 36.4230 177.9426 109 D 4.2880 8.3603 119.1889 57.5457 41.0993 178.0201 110 D 4.3556 8.2480 119.3742 57.3719 40.7501 179.1280 111 V 3.6636 7.8056 118.7166 66.1345 31.6034 178.3819 112 R 3.9769 8.3046 118.0598 59.5248 29.6644 179.0335 113 T 4.0495 8.1997 114.5689 65.3971 68.4111 175.4176 114 E 4.4932 7.4979 118.5410 57.3470 31.5441 177.5001 115 R 4.4555 8.7384 116.6706 54.5497 31.5899 177.5190 116 G 3.8082 8.2951 107.0725 47.1149 0.0000 174.8082 117 S 4.5755 8.7670 119.2012 57.8713 63.7407 174.0348 118 D 4.6848 7.6636 122.5674 52.4381 39.8738 175.3779 119 V 4.4010 6.8840 116.8096 61.2736 34.7076 173.8179 120 I 4.4419 8.2879 123.0323 59.7764 39.3185 174.6515 121 I 4.9207 8.3212 127.5606 59.5639 40.2292 174.0005 122 M 4.8499 8.6999 126.9654 53.5895 34.7383 174.0348 123 L 4.8312 9.1220 129.7101 54.2402 43.9359 175.2042 124 V 4.3779 9.1725 126.8739 61.0166 34.2149 174.5679 125 G 3.1262 8.2988 116.3662 44.6300 0.0000 172.3707 126 N 5.0818 8.4655 126.3606 51.7563 41.4431 174.2961 127 K 4.2679 8.5098 118.1200 57.5303 28.4962 178.9106 128 T 3.8668 7.9375 110.7623 64.3234 68.8271 175.1863 129 D 4.3661 7.9078 120.5879 55.4172 40.1410 176.1150 130 L 4.4202 7.7233 121.6056 53.8520 42.1509 178.2876 131 A 3.9218 8.0842 123.9198 55.6245 18.5403 179.3141 132 D 4.6521 7.9869 111.3114 55.0900 41.4081 176.2941 133 K 4.5408 8.0577 116.5546 56.4696 33.0772 175.7440 134 R 4.1856 7.6768 119.7752 56.9614 30.2452 176.2184 135 Q 4.5888 9.3077 122.4943 55.4166 31.0528 175.6998 136 I 4.4950 7.5206 118.2618 58.8657 40.1388 176.0384 137 T 4.1685 8.7115 116.3929 61.2588 70.7710 175.5819 138 I 4.0512 8.1212 123.0107 63.9176 37.9918 178.0637 139 E 4.1938 7.9753 120.3633 58.8263 29.3143 178.9801 140 E 3.9904 8.1537 118.8536 59.0560 29.4521 179.6602 141 G 3.4322 7.7143 105.4435 47.7466 0.0000 175.7180 142 E 3.1906 7.5661 121.4771 58.7050 29.3065 179.2761 143 Q 3.8909 8.1691 119.9804 59.0998 29.1216 178.2774 144 R 4.1438 8.2610 120.9010 58.8361 30.1197 178.3523 145 A 4.0442 8.0186 120.6343 54.9619 18.4262 179.4579 146 K 3.8587 8.1510 118.1650 59.8450 32.0152 178.8914 147 E 4.0330 8.4948 118.9527 58.7587 29.1065 178.3090 148 L 4.4739 7.7009 116.0793 53.3110 42.6780 176.5358 149 S 3.7413 7.7893 113.4167 60.0728 60.6960 171.6407 150 V 4.6587 7.7921 110.6847 59.6670 36.0932 176.8145 151 M 4.5339 8.8830 121.9077 55.2825 33.4160 175.3886 152 F 5.3548 8.3231 121.2632 57.1288 43.0602 173.2837 153 I 4.0395 6.5975 121.1327 60.0688 41.7489 172.6366 154 E 4.9762 8.3929 126.2466 54.8832 32.9322 174.9913 155 T 4.9845 8.7405 112.4538 60.7409 73.5497 172.6561 156 S 4.4617 8.8234 115.7123 57.1697 64.6308 174.6472 157 A 4.0110 8.4117 130.8800 54.8119 18.6616 178.7033 158 K 2.4800 7.5868 116.5733 59.0460 32.2170 177.9014 159 T 4.0768 7.5940 106.8033 61.9491 69.5629 175.8166 160 G 3.9238 8.5941 111.1052 44.6720 0.0000 172.4121 161 Y 4.1016 7.8195 121.3577 59.2833 39.1077 176.0642 162 N 3.8197 8.5082 121.8552 54.0166 36.4114 176.2205 163 V 3.6219 7.7558 119.9185 66.1353 31.4839 178.3757 164 K 4.3085 8.0704 117.8439 59.4829 31.9109 178.9283 165 Q 3.8797 8.0069 119.4844 58.8571 28.8044 177.8270 166 L 3.6635 7.7798 121.3238 58.3459 42.0955 179.1851 167 F 3.8061 7.4316 116.3799 60.1982 38.6717 177.8460 168 R 3.9424 8.3130 118.7918 59.4098 29.8850 178.8375 169 R 3.8973 8.1496 118.1534 59.3062 30.0185 179.4938 170 V 3.5524 7.5082 112.1118 64.0876 31.4271 178.5139 171 A 3.8367 8.0547 120.6968 55.0777 18.2095 179.6289 172 S 3.9423 8.4637 111.8938 61.4543 62.2462 176.2430 173 A 3.9735 7.8056 122.4165 54.9868 18.1341 179.3807 174 L 3.8925 7.6419 116.6907 57.8643 41.7485 179.0970 175 L 3.9924 7.6835 119.0164 57.8524 41.9993 176.8633 176 E 4.2479 7.9033 122.8720 56.3671 29.7686 175.7567 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 14 F 8.18 4.86 0.00 3.29 3.10 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 15 K 8.28 4.65 0.00 1.92 1.87 0.00 1.42 0.00 0.00 1.57 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.70 7.81 16 L 9.39 5.43 0.00 1.87 1.70 1.06 0.81 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 17 V 8.76 5.17 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 0.91 0.00 0.00 1.01 0.00 0.00 18 F 9.52 4.75 0.00 3.15 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 19 L 10.11 4.20 0.00 1.20 0.61 1.01 0.50 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 20 G 6.55 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 0.00 0.00 0.00 0.00 21 E 8.38 4.33 0.00 2.15 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 2.72 2.42 0.00 22 Q 8.35 4.48 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.99 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 23 S 8.87 4.18 0.00 4.09 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 24 V 7.39 3.81 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 0.88 0.00 0.00 1.09 0.00 0.00 25 G 8.56 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 0.00 0.00 0.00 0.00 26 K 8.56 4.00 0.00 1.80 1.91 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.69 1.57 7.81 27 T 7.79 3.88 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 1.19 0.00 0.00 28 S 8.06 4.19 0.00 4.15 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 0.00 29 L 8.21 4.10 0.00 1.87 1.89 1.07 0.86 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 30 I 7.42 3.64 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.14 0.79 0.00 0.00 31 T 8.10 3.89 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 1.39 0.00 0.00 32 R 8.38 4.11 0.00 2.15 2.19 0.00 3.40 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 33 F 8.00 4.21 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 34 M 7.89 3.59 0.00 0.54 1.15 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 35 Y 7.57 4.75 0.00 2.88 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 36 D 8.16 4.57 0.00 2.85 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 37 S 7.98 4.78 0.00 3.96 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 38 F 8.47 4.58 0.00 2.99 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 39 D 7.74 4.39 0.00 2.68 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 N 8.46 4.80 0.00 2.65 2.77 0.00 0.00 6.75 7.54 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 41 T 8.16 4.07 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 1.20 0.00 0.00 *50 F 7.61 4.34 0.00 2.37 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 51 L 8.56 4.79 0.00 1.55 1.51 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.63 5.31 0.00 3.80 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 53 K 8.76 4.39 0.00 1.79 1.63 0.00 1.35 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.39 1.46 7.81 54 T 8.54 4.90 4.12 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 0.84 0.00 0.00 55 M 8.94 4.58 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 56 Y 8.44 5.04 0.00 2.86 2.87 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 57 L 8.74 4.27 0.00 1.68 1.60 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.84 3.86 0.00 2.17 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 2.25 2.37 0.00 59 D 9.02 5.21 0.00 2.83 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 60 R 7.76 4.66 0.00 1.98 1.86 0.00 3.27 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 61 T 8.07 5.11 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 1.49 0.00 0.00 62 V 8.66 4.45 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 0.64 0.00 0.00 0.82 0.00 0.00 63 R 9.00 4.94 0.00 1.81 1.91 0.00 3.27 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 64 L 9.24 4.98 0.00 1.65 1.71 1.11 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.93 4.85 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 66 L 9.44 5.06 0.00 1.66 1.72 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.79 5.13 0.00 3.42 3.50 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 68 D 9.04 5.31 0.00 2.65 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 69 T 8.16 3.67 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 0.38 0.00 0.00 70 A 7.90 4.27 1.34 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 0.00 0.00 0.00 71 G 9.59 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 72 Q 8.30 4.88 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.80 0.00 73 E 8.40 4.20 0.00 2.13 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 2.59 2.29 0.00 74 R 7.67 4.07 0.00 1.74 1.91 0.00 2.76 0.00 0.00 3.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 75 F 7.62 4.95 0.00 3.46 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 *77 S 8.37 4.49 0.00 4.04 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 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4.13 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 87 T 8.82 4.49 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 1.34 0.00 0.00 88 V 7.70 5.02 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 0.93 0.00 0.00 0.91 0.00 0.00 89 A 9.23 5.04 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 90 V 8.44 4.18 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 0.11 0.00 0.00 0.35 0.00 0.00 91 V 8.46 4.52 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 0.81 0.00 0.00 0.95 0.00 0.00 92 V 8.80 4.97 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 0.97 0.00 0.00 0.93 0.00 0.00 93 Y 8.84 5.04 0.00 3.13 3.20 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 94 D 9.04 5.31 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.39 2.70 0.00 103 Q 8.41 4.09 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 104 T 7.82 4.23 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 1.39 0.00 0.00 105 S 7.63 4.01 0.00 3.80 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 0.00 106 K 7.55 3.68 0.00 1.50 1.43 0.00 1.02 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.71 1.07 7.81 107 W 7.67 4.39 0.00 3.45 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 0.00 108 I 8.28 3.81 1.93 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 1.45 0.88 0.92 0.00 0.00 109 D 8.36 4.29 0.00 2.84 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 0.00 110 D 8.25 4.36 0.00 3.05 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 0.00 111 V 7.81 3.66 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 1.05 0.00 0.00 1.04 0.00 0.00 112 R 8.30 3.98 0.00 1.99 1.96 0.00 3.38 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 113 T 8.20 4.05 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 1.21 0.00 0.00 114 E 7.50 4.49 0.00 2.06 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 2.48 2.48 0.00 115 R 8.74 4.46 0.00 1.76 1.95 0.00 3.41 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 1.68 1.77 0.00 116 G 8.30 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 0.00 117 S 8.77 4.58 0.00 3.97 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 0.00 118 D 7.66 4.68 0.00 2.68 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 0.00 119 V 6.88 4.40 2.09 0.00 0.00 0.00 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3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.41 7.81 128 T 7.94 3.87 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 1.32 0.00 0.00 129 D 7.91 4.37 0.00 2.73 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 0.00 130 L 7.72 4.42 0.00 2.00 1.69 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.08 3.92 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 0.00 132 D 7.99 4.65 0.00 2.64 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 0.00 133 K 8.06 4.54 0.00 1.81 1.76 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.48 7.81 134 R 7.68 4.19 0.00 1.86 1.89 0.00 3.19 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 135 Q 9.31 4.59 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.36 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 136 I 7.52 4.50 1.81 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 0.80 0.31 0.12 0.00 0.00 137 T 8.71 4.17 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 1.17 0.00 0.00 138 I 8.12 4.05 1.95 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 1.96 2.42 0.94 0.00 0.00 139 E 7.98 4.19 0.00 2.04 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 2.37 2.29 0.00 140 E 8.15 3.99 0.00 1.94 1.82 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 2.26 2.24 0.00 141 G 7.71 3.43 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 0.00 142 E 7.57 3.19 0.00 1.92 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 0.00 2.24 2.12 0.00 143 Q 8.17 3.89 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 144 R 8.26 4.14 0.00 2.24 2.20 0.00 3.11 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 145 A 8.02 4.04 1.56 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 0.00 0.00 146 K 8.15 3.86 0.00 1.85 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.62 7.81 147 E 8.49 4.03 0.00 2.16 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 2.32 2.49 0.00 148 L 7.70 4.47 0.00 1.63 1.68 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.79 3.74 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 0.00 150 V 7.79 4.66 2.27 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 0.78 0.00 0.00 1.06 0.00 0.00 151 M 8.88 4.53 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 152 F 8.32 5.35 0.00 3.00 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 0.00 153 I 6.60 4.04 1.64 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.98 0.60 0.00 0.00 154 E 8.39 4.98 0.00 2.01 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 2.25 2.42 0.00 155 T 8.74 4.98 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 1.13 0.00 0.00 156 S 8.82 4.46 0.00 3.87 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 0.00 157 A 8.41 4.01 1.48 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 0.00 158 K 7.59 2.48 0.00 0.79 1.39 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.12 0.82 7.81 159 T 7.59 4.08 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 1.13 0.00 0.00 160 G 8.59 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 0.00 161 Y 7.82 4.10 0.00 2.97 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 0.00 162 N 8.51 3.82 0.00 2.56 2.57 0.00 0.00 6.76 7.68 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 0.00 163 V 7.76 3.62 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 1.30 0.00 0.00 1.06 0.00 0.00 164 K 8.07 4.31 0.00 1.91 1.97 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.80 1.64 7.81 165 Q 8.01 3.88 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 166 L 7.78 3.66 0.00 1.61 1.59 0.51 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 167 F 7.43 3.81 0.00 2.44 2.63 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 0.00 168 R 8.31 3.94 0.00 1.91 1.92 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 169 R 8.15 3.90 0.00 1.97 1.87 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 170 V 7.51 3.55 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 0.61 0.00 0.00 0.89 0.00 0.00 171 A 8.05 3.84 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 0.00 172 S 8.46 3.94 0.00 3.90 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 0.00 173 A 7.81 3.97 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 0.00 174 L 7.64 3.89 0.00 1.42 0.92 0.49 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.68 3.99 0.00 1.75 1.77 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 176 E 7.90 4.25 0.00 2.09 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 0.00 2.30 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.