NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3746 8.3193 115.2806 57.9542 64.4091 174.2990 4 I 3.5502 7.6072 113.0068 59.2162 37.5933 174.2116 5 S 4.5169 9.0626 118.8835 57.4819 65.2701 175.3880 6 E 4.0635 8.5551 120.5724 59.3676 29.6408 179.4441 7 K 4.3250 7.5289 118.4259 56.8367 31.9411 178.7189 *9 V 3.9679 7.9763 117.9165 62.3849 33.2921 176.8326 10 E 4.0188 8.3857 119.8139 59.4593 29.3216 178.7309 11 A 4.0621 8.1793 120.6783 54.9643 18.3584 179.7074 12 L 3.9720 7.8674 117.1850 57.9809 41.9109 178.9416 13 N 4.3748 8.6886 116.8613 56.7317 38.5060 177.6356 14 R 4.0434 8.2845 119.2136 59.3202 30.0808 178.9433 15 Q 4.0327 8.1832 119.4553 58.9235 28.9714 178.0853 16 I 3.7855 8.2592 121.5889 64.4465 37.1850 177.6984 17 N 4.3868 8.3558 117.5088 56.8694 38.7523 176.7622 18 A 4.2779 8.2436 122.0812 55.1220 18.4331 179.5587 19 E 4.0600 8.7778 117.7032 59.6555 29.6089 179.5247 20 I 3.7346 8.0403 119.9349 64.5558 37.0046 177.7273 21 Y 4.0716 8.5975 120.7385 60.8119 38.5794 178.2833 22 S 3.7843 8.6283 116.1402 61.5421 62.9191 176.4552 23 A 4.2566 8.0873 123.1945 55.7316 18.0679 179.1503 24 Y 4.3935 8.1732 117.8657 60.4762 38.5764 177.6730 25 L 3.6585 7.6047 121.1513 58.3279 42.2282 178.3427 26 Y 4.5267 7.3284 115.2393 60.8380 38.1665 177.8349 27 L 3.9514 8.4111 121.8003 57.9767 41.9850 180.3859 28 S 4.0650 8.0432 112.3430 58.3671 62.5441 175.7633 *30 A 4.4742 7.9901 123.8642 51.8734 20.4465 179.7790 31 S 4.1048 8.0146 109.6542 61.5730 61.8217 175.5135 32 Y 4.1623 8.2201 122.1703 61.1238 38.5754 178.4643 33 F 3.8642 8.0396 117.8711 60.2790 39.0567 177.1127 34 D 4.3863 8.4100 118.2747 57.2029 40.8559 178.3389 35 S 4.2842 8.1417 114.0171 60.1322 62.8831 174.8989 36 I 4.1667 6.8080 113.5627 60.3795 37.4260 176.1582 37 G 3.8509 8.0679 107.5410 46.7853 0.0000 175.4589 38 L 4.6196 7.6697 122.0443 53.0517 40.7120 176.9483 39 K 4.2204 8.3177 123.7091 58.6145 32.3313 178.9977 40 G 4.1008 8.3322 107.3353 47.3327 0.0000 175.5506 41 F 3.7232 8.3351 119.4190 60.0769 38.9118 177.1172 42 S 4.4335 8.0950 111.3652 61.7516 62.3715 175.4304 43 N 4.5346 8.4624 119.5459 56.3895 38.5957 177.1161 44 W 4.2744 8.1490 126.2662 58.4136 30.6042 177.4766 *46 R 4.3970 7.9399 118.3524 55.8743 31.7905 178.0733 47 V 3.5669 8.0138 117.1155 65.9771 31.3832 177.9097 48 Q 3.6469 7.9488 119.3961 58.5888 28.7830 177.8228 49 W 4.4051 8.3251 128.9909 60.8697 30.5585 177.7728 50 Q 3.5902 7.9575 116.4529 58.8725 28.1601 178.4624 51 E 4.0356 7.9734 118.8008 59.3325 29.7317 178.7782 52 E 4.0300 8.5465 119.0691 59.1266 29.2666 180.0376 53 L 4.1597 7.2665 116.9411 55.0742 41.6322 178.2188 *55 H 4.9363 8.1475 116.5217 56.2200 30.4478 175.5850 56 A 4.0634 8.1966 117.1261 53.5559 18.0050 177.5687 *58 K 4.1240 7.9287 117.9076 57.4757 33.7204 177.4042 *60 F 4.6286 8.0754 120.5273 57.8658 41.0579 176.6944 61 D 4.5331 8.2415 119.8244 57.0648 40.5966 178.3818 62 F 3.8765 8.3438 121.3920 61.0828 39.2696 177.3020 63 V 3.2671 7.6052 117.3619 66.0235 31.2641 177.8255 64 S 4.1474 7.5391 113.7767 60.6855 61.9889 175.5544 65 E 3.8214 7.9216 121.2109 59.2576 29.4393 178.4622 66 R 3.9292 7.4166 115.5322 56.5208 30.0802 177.5150 67 G 3.7595 7.9737 107.7223 45.4418 0.0000 174.1174 68 G 3.6622 7.7735 109.0912 44.6166 0.0000 173.1839 69 R 4.4887 7.9949 119.7196 53.8731 31.1006 175.6893 70 V 4.0641 7.9390 125.5126 61.7986 31.9801 174.7303 71 K 4.3402 8.3098 128.2065 54.3943 33.7873 174.9593 72 L 4.3887 8.0784 125.8169 53.6361 42.9760 175.4984 73 Y 4.7556 8.0747 119.2878 55.3597 40.8181 175.2454 74 A 3.9673 8.6171 123.5998 52.9608 18.7136 177.4469 75 V 4.2590 8.1527 121.7186 60.9995 31.9506 175.7165 76 E 4.2125 8.7485 127.2206 55.8248 30.0074 176.6611 77 E 4.0928 8.6984 123.2915 56.3050 29.9306 175.3204 78 P 5.0591 0.0000 0.0000 60.1660 32.8105 173.8468 79 P 4.3401 0.0000 0.0000 63.0960 31.5008 176.1688 80 S 4.7584 7.7295 109.8897 56.3435 64.3655 173.7356 81 E 4.4590 6.8504 119.2177 54.2906 31.8973 174.5451 82 W 4.6167 7.2394 119.9608 54.6142 33.0302 176.2834 83 D 4.5901 8.7680 120.2231 57.1655 40.8771 177.1594 84 S 4.7218 7.6366 109.7942 55.7383 67.1925 174.5420 85 P 4.6214 0.0000 0.0000 66.0336 31.0155 178.3420 86 L 4.0639 8.1939 118.0666 58.5222 41.9807 178.9009 87 A 4.4451 8.5425 121.5483 54.3265 18.2478 179.3984 88 A 3.2655 8.1921 119.4678 55.4059 18.4491 179.9957 89 F 3.6612 8.4694 116.1330 60.3289 38.5947 177.8419 90 E 4.1570 8.8722 119.0154 59.7383 29.2439 178.8114 91 H 4.3544 8.5101 118.2657 59.3149 29.9546 177.4518 92 V 3.7915 7.9260 120.1744 66.1743 31.3312 177.4721 93 Y 4.1683 8.3456 119.3072 60.8103 38.7376 177.4292 94 E 3.8891 8.4627 120.3413 59.1471 29.6272 178.1521 95 H 4.1844 8.8619 118.9903 59.4526 29.9185 177.1951 96 E 4.0310 8.4506 120.3836 59.2113 29.2482 179.3902 97 V 3.5915 7.5907 118.4262 65.9756 31.5434 177.6306 98 N 4.2482 8.1182 116.6854 56.6961 38.7692 176.8399 99 V 3.5965 8.0304 119.9840 66.4249 31.4557 178.1715 100 T 3.7575 8.2394 115.7022 66.2907 68.2695 176.2152 101 K 3.8190 7.9578 121.6940 59.8042 32.0375 178.5967 102 R 3.8789 7.8991 118.4091 59.4726 30.0345 178.4347 103 I 3.6644 7.9029 119.6908 64.8729 37.1173 178.1747 104 H 4.3306 8.5074 117.3018 58.9128 28.2314 177.7832 105 E 4.0463 8.1565 119.8598 59.2439 29.3381 178.9110 106 L 4.1563 7.9874 118.5072 57.7675 41.7565 179.4410 107 V 3.8639 7.7384 117.0262 65.9361 31.5458 179.0744 108 E 4.1863 7.8907 114.5176 56.6990 29.3643 177.3713 *110 A 4.2207 7.7982 119.8625 52.3218 20.2111 179.2337 *112 Q 4.2318 8.0959 118.9615 57.3346 30.4822 176.2411 113 E 4.2170 8.2216 113.6432 55.7472 29.8144 176.1214 114 K 3.2993 7.6363 116.9299 57.0049 29.9832 176.1863 115 D 4.4984 7.7617 118.7039 53.0190 39.4956 175.0721 116 F 4.6633 7.8917 123.4340 59.8478 39.2881 176.6643 117 A 4.2474 8.1991 120.3192 55.6226 18.3303 179.6856 118 T 4.0740 8.4203 113.9849 66.7439 68.3016 176.1266 119 Y 4.0664 8.1725 120.7157 61.0681 38.9770 177.8652 120 N 4.5611 8.9456 117.4931 56.3658 38.4731 177.1755 121 F 4.0210 8.4011 122.0009 61.2893 39.4126 177.1619 122 L 3.9336 8.0634 118.1067 57.3017 41.3461 179.3582 123 Q 3.8963 7.6742 118.3774 58.2670 28.4692 178.2756 124 W 3.8208 7.7646 129.6409 60.6045 30.5497 177.6527 125 Y 3.6635 7.8554 116.2177 60.5520 37.2737 177.8713 126 V 3.4787 7.8618 119.1019 66.1976 31.1074 178.0680 127 A 3.8259 7.7352 120.2012 54.9846 18.0878 179.2284 128 E 3.4310 7.5742 117.8801 59.1931 29.4283 179.0873 129 Q 3.9216 8.1036 118.4323 58.6238 28.7101 178.5924 130 V 3.5660 7.3998 119.4871 66.3222 31.4459 177.9957 131 E 3.9680 7.7221 117.2581 59.2868 29.2194 179.2378 132 E 4.0126 8.2891 118.6956 59.4892 29.6417 178.9958 133 E 4.0711 8.4160 118.3685 59.6921 29.6584 179.4997 134 A 4.0903 8.2241 120.4844 55.2387 18.3022 179.7431 135 S 4.1395 8.5692 113.8443 61.9303 62.9161 176.9537 136 A 4.2364 8.2897 123.3917 55.0982 18.0617 179.4271 137 L 3.7670 8.2444 118.9483 58.0671 42.0966 178.8590 138 D 4.2867 8.1882 119.1132 57.2618 40.6201 178.6844 139 I 3.5201 7.4059 120.4167 63.7015 37.0238 178.3652 140 V 3.5741 7.9768 119.6428 66.2581 31.2718 178.0461 141 E 3.9633 8.4260 118.4605 59.0944 29.2669 179.4089 142 K 3.9163 8.0832 118.6356 59.5141 32.1513 179.3674 143 L 4.0163 8.0949 119.3907 57.8112 41.2693 179.7743 144 R 3.9507 7.7525 117.2159 59.3571 30.0908 178.8447 145 L 4.1612 7.5859 117.2372 57.4661 41.8913 179.2597 146 I 3.8587 8.0488 120.3503 61.3812 37.1500 179.0839 147 G 3.7916 8.3978 106.0355 47.0127 0.0000 174.7254 148 E 4.3378 8.9491 123.2032 55.7769 30.4862 175.3493 149 D 4.3308 7.9409 119.6804 54.5156 41.8719 176.7112 150 K 4.0492 8.6411 127.8835 59.4231 32.2381 179.4461 151 R 3.9290 8.0647 115.8164 59.3638 29.3061 178.6755 152 A 4.0373 8.5887 121.6269 54.5414 18.2585 179.2734 153 L 3.9850 7.8789 118.5740 58.4904 42.1107 179.3290 154 L 4.0614 8.2700 119.0496 57.6099 41.4488 179.1166 155 F 4.0594 8.7325 121.1734 61.3133 39.2691 177.0078 156 L 3.8899 8.3416 119.9333 58.1850 41.9378 178.2793 157 D 4.1770 8.5763 118.3928 57.1683 40.7751 178.2615 158 K 3.8395 8.2495 120.2197 59.4921 32.1986 178.3420 159 E 3.7715 7.9571 119.0186 59.7689 29.3930 179.5793 160 L 4.1131 7.8981 118.6458 57.2085 41.4396 179.3854 161 S 4.3365 7.4042 113.0613 60.8261 62.8746 175.8738 162 L 4.1812 7.4619 121.1679 55.3176 41.9169 177.2321 163 R 3.9702 7.4369 119.8744 56.3459 30.6089 176.2477 164 Q 4.2199 8.4884 122.6012 56.0820 29.1873 175.3646 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 3 S 8.32 4.37 0.00 3.82 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 4 I 7.61 3.55 1.81 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 1.29 0.76 0.89 0.00 0.00 5 S 9.06 4.52 0.00 3.98 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 6 E 8.56 4.06 0.00 2.01 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 2.37 2.22 0.00 7 K 7.53 4.32 0.00 1.62 1.76 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *9 V 7.98 3.97 2.20 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 0.78 0.00 0.00 0.89 0.00 0.00 10 E 8.39 4.02 0.00 2.15 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 0.00 2.41 2.53 0.00 11 A 8.18 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.87 3.97 0.00 1.73 1.78 1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.69 4.37 0.00 2.96 3.16 0.00 0.00 7.06 7.70 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 14 R 8.28 4.04 0.00 1.99 1.95 0.00 3.03 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 15 Q 8.18 4.03 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 16 I 8.26 3.79 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.67 1.07 0.00 0.00 17 N 8.36 4.39 0.00 3.11 3.03 0.00 0.00 7.15 8.44 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 18 A 8.24 4.28 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 19 E 8.78 4.06 0.00 2.21 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 0.00 2.72 2.66 0.00 20 I 8.04 3.73 2.07 0.00 0.00 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 1.40 1.06 0.90 0.00 0.00 21 Y 8.60 4.07 0.00 3.18 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 22 S 8.63 3.78 0.00 4.12 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 23 A 8.09 4.26 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 24 Y 8.17 4.39 0.00 3.19 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 25 L 7.60 3.66 0.00 0.92 1.15 1.00 0.52 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 26 Y 7.33 4.53 0.00 3.30 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 27 L 8.41 3.95 0.00 1.20 1.54 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.04 4.07 0.00 3.84 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 *30 A 7.99 4.47 1.44 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 0.00 0.00 0.00 0.00 0.00 31 S 8.01 4.10 0.00 3.92 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.22 4.16 0.00 3.48 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 33 F 8.04 3.86 0.00 3.27 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 34 D 8.41 4.39 0.00 2.87 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 35 S 8.14 4.28 0.00 4.02 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 6.81 4.17 1.72 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.59 0.66 0.00 0.00 37 G 8.07 3.85 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 0.00 0.00 0.00 38 L 7.67 4.62 0.00 1.76 1.81 0.58 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.32 4.22 0.00 1.80 1.89 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 G 8.33 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 41 F 8.34 3.72 0.00 2.71 1.63 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 42 S 8.09 4.43 0.00 4.12 4.18 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 43 N 8.46 4.53 0.00 2.86 3.08 0.00 0.00 6.91 8.20 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 44 W 8.15 4.27 0.00 3.41 3.18 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 *46 R 7.94 4.40 0.00 2.12 2.12 0.00 3.21 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.61 0.00 47 V 8.01 3.57 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 0.84 0.00 0.00 0.98 0.00 0.00 48 Q 7.95 3.65 0.00 1.54 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 1.41 2.14 0.00 49 W 8.33 4.41 0.00 3.75 3.07 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 50 Q 7.96 3.59 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.81 0.00 51 E 7.97 4.04 0.00 1.93 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 2.28 2.41 0.00 52 E 8.55 4.03 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 2.79 2.86 0.00 53 L 7.27 4.16 0.00 1.51 1.40 0.59 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.15 4.94 0.00 3.48 3.76 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.20 4.06 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 *58 K 7.93 4.12 0.00 1.74 1.98 0.00 0.94 0.00 0.00 0.91 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.73 1.48 7.81 *60 F 8.08 4.63 0.00 3.31 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 61 D 8.24 4.53 0.00 3.00 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 62 F 8.34 3.88 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.27 1.87 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 0.80 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.10 0.00 0.00 141 E 8.43 3.96 0.00 2.16 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 2.27 2.25 0.00 142 K 8.08 3.92 0.00 1.82 1.79 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.58 7.81 143 L 8.09 4.02 0.00 1.81 1.75 1.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.75 3.95 0.00 1.91 1.99 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 145 L 7.59 4.16 0.00 1.70 1.70 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.05 3.86 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.96 0.00 0.00 147 G 8.40 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.95 4.34 0.00 1.96 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 2.24 2.22 0.00 149 D 7.94 4.33 0.00 2.72 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 0.00 150 K 8.64 4.05 0.00 1.89 1.85 0.00 1.82 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.56 7.81 151 R 8.06 3.93 0.00 2.03 2.21 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 152 A 8.59 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.88 3.99 0.00 1.84 1.90 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.27 4.06 0.00 1.93 1.75 0.95 1.08 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 0.00 155 F 8.73 4.06 0.00 3.16 3.14 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 0.00 156 L 8.34 3.89 0.00 1.86 1.90 0.73 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.58 4.18 0.00 3.20 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 0.00 158 K 8.25 3.84 0.00 1.76 1.67 0.00 1.52 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.39 7.81 159 E 7.96 3.77 0.00 2.03 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 0.00 2.15 1.91 0.00 160 L 7.90 4.11 0.00 1.53 1.68 0.55 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.40 4.34 0.00 4.01 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 0.00 162 L 7.46 4.18 0.00 1.79 1.72 0.91 1.15 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 0.00 163 R 7.44 3.97 0.00 1.83 1.86 0.00 2.51 0.00 0.00 2.60 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 164 Q 8.49 4.22 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.