NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.6260 8.4244 119.2057 53.2687 40.0497 173.9764 5 I 4.0878 7.3480 118.5307 58.9736 39.6513 173.3370 6 S 4.2562 8.4125 124.8147 58.1554 64.3449 174.1248 7 N 4.6450 8.5155 123.2230 52.5596 39.4473 176.1206 8 T 3.8263 8.3529 117.2522 66.6127 68.3910 176.5753 9 K 3.7121 7.7544 120.8741 59.4834 32.2474 178.2632 10 E 3.5578 8.3205 119.4025 59.1098 29.5042 178.7855 11 R 3.8875 7.9318 118.0580 59.4312 30.0947 179.0641 12 I 3.6263 7.7233 119.2837 64.3885 37.0687 178.4876 13 L 3.6838 7.8748 119.6318 57.6225 41.3208 179.5538 14 A 4.3576 7.9304 120.9677 55.1558 18.2944 180.0799 15 V 3.6128 8.0333 117.6076 64.5454 31.5556 178.5136 16 A 3.5071 8.0906 121.6825 54.6983 18.1548 179.0006 17 E 3.8140 8.3420 117.6526 59.4633 29.7177 178.9041 18 A 3.9214 7.7413 120.0369 55.2668 18.3818 179.6012 19 L 3.8505 7.9846 117.7452 57.9283 41.6016 179.9352 20 I 3.5786 7.6193 119.8974 64.4332 36.8081 178.5818 21 Q 3.9771 7.9304 117.8102 58.3389 28.5004 178.6270 22 K 4.1314 7.8178 119.0658 58.7419 32.4625 177.6185 23 D 4.7272 8.5301 115.7020 53.1747 43.4939 177.4191 24 G 3.9742 7.9837 105.1340 45.2315 0.0000 173.7355 25 Y 4.3584 8.4488 121.2919 60.8017 38.7880 177.0690 26 N 4.5961 8.2897 113.3573 53.4945 38.5471 174.8351 27 A 4.7727 8.1359 120.1793 51.3374 19.6928 176.2048 28 F 5.2144 7.7578 111.8601 55.7025 41.0585 174.0041 29 S 4.3916 8.7898 115.9417 55.7114 67.3107 175.0683 30 F 4.4100 8.6374 120.3832 60.7262 38.4861 177.7834 31 K 3.9818 8.1877 118.8401 59.5261 32.0167 178.2677 32 D 4.4105 8.1285 118.8786 57.5667 40.7768 178.9949 33 I 3.7135 7.7366 120.0240 64.3403 37.1173 178.3557 34 A 4.0155 8.3106 121.8618 55.5203 17.9650 179.8810 35 T 3.8382 8.0243 113.2482 66.5376 68.5778 176.5678 36 A 4.2036 8.0534 122.0484 54.4441 18.5369 178.3422 37 I 4.2057 7.3374 106.9297 59.8830 38.4134 175.2258 38 N 4.1804 8.1213 116.7642 55.1751 35.9700 172.7621 39 I 4.6289 7.2551 108.9887 58.5718 41.4804 175.2323 40 K 4.3593 8.2161 119.9438 55.6810 33.0868 178.4280 41 T 3.9280 8.7267 113.2758 65.1665 68.3603 176.2343 42 A 4.1363 8.1679 122.8842 55.4122 18.0492 179.6343 43 S 4.1470 8.1076 113.4502 61.5867 62.7455 177.0504 44 I 3.6792 7.5743 122.3343 64.6212 36.7272 177.9213 45 H 4.7314 8.1764 117.4272 58.3729 28.5726 176.6214 46 Y 4.2970 7.9437 120.7091 61.3402 38.5944 177.8011 47 H 4.2398 7.4983 114.7128 56.5358 29.7647 175.4350 48 F 4.8424 8.3288 119.4318 54.5563 40.1575 173.0739 49 P 4.5180 0.0000 0.0000 64.5931 31.1962 176.7515 50 S 4.8725 8.3515 110.8951 55.2887 66.1692 174.7651 51 K 4.0078 8.3835 121.1860 59.6161 31.6472 178.1772 52 E 4.0702 8.3195 119.1236 59.6496 29.5318 178.4357 53 D 4.4543 8.1090 118.6850 57.2750 40.8783 178.6131 54 L 3.4333 8.0100 120.0836 57.8035 42.2197 179.1234 55 G 3.8778 8.6459 106.0731 48.0129 0.0000 175.7432 56 V 3.4867 8.1020 121.0629 65.5766 31.4875 177.9988 57 A 4.0882 8.1152 120.5620 55.0509 18.1318 179.7865 58 V 3.7221 8.2787 117.2365 66.3333 31.5653 178.4293 59 I 3.6795 7.6779 119.3218 64.2965 36.9176 178.3680 60 S 4.1233 8.2486 114.0570 61.0936 62.2512 176.0128 61 W 4.3092 8.5712 131.2175 60.8734 30.5026 177.3549 62 H 3.7788 8.6616 118.4296 59.4860 29.1824 177.3508 63 T 4.0381 8.3378 117.7738 66.7679 68.3608 176.3694 64 D 4.3566 8.2167 120.7623 57.2607 40.9720 179.0186 65 K 3.7780 7.8036 118.8650 59.4332 31.9318 179.3981 66 I 3.5317 7.6858 119.7508 64.3378 37.0378 178.2021 67 A 3.8279 8.2667 121.6897 55.1998 18.2541 179.6181 68 A 3.9012 7.8748 119.0557 55.0586 18.3365 179.9565 69 V 3.4555 7.5016 116.3919 66.2515 31.5372 178.3403 70 L 3.4673 7.9232 118.9337 57.6347 41.2503 179.6925 71 S 4.2715 8.1315 115.1870 61.7378 62.5174 176.4802 72 D 4.4327 7.8171 120.3691 57.2474 40.7843 178.6989 73 I 3.9774 7.6665 120.2146 64.5688 36.9841 178.4468 74 S 4.3096 8.5293 115.0760 61.7607 62.8631 175.8848 75 N 4.9130 8.0489 115.5750 52.9903 39.4004 176.0612 76 N 4.6819 7.9849 121.0205 52.3225 38.1164 175.0129 77 S 4.4053 8.2999 119.8490 59.1997 63.5681 175.8211 78 S 4.3238 7.9125 116.0121 59.8907 63.3817 174.2208 79 L 4.6505 7.6172 122.2773 53.3968 42.4349 177.3517 80 S 4.3806 9.3644 119.0863 57.7291 65.1817 175.2387 81 A 3.9042 8.5115 123.6191 55.3431 17.9055 179.7608 82 K 3.8892 8.0239 117.3464 59.8437 32.3047 178.6858 83 E 4.2973 8.1221 120.1117 58.8055 29.2927 179.3903 84 K 4.1475 8.4417 118.8710 59.7611 32.2133 179.4645 85 I 4.1087 7.8767 119.6314 64.3969 36.5270 178.3452 86 Q 4.2001 8.5073 119.2047 59.2723 28.5474 179.3728 87 K 4.1117 8.7388 119.7524 59.0642 32.0124 179.0746 88 F 4.1154 8.7036 121.3616 61.4930 39.2488 177.0249 89 F 4.0171 8.3504 119.8552 61.2804 39.1510 176.6283 90 D 4.1028 8.2267 118.3085 57.3463 40.3983 178.7307 91 A 3.8968 7.9655 120.3514 55.1358 18.4967 179.4830 92 I 3.6697 7.5255 118.3040 64.3744 37.1620 178.5171 93 L 3.8382 7.7711 120.1929 58.1601 41.1633 179.6421 94 T 3.8331 7.4994 114.4901 66.5308 68.5024 175.9504 95 L 4.3162 7.5199 118.4942 54.0339 42.3860 177.2844 96 T 4.2743 7.8467 105.6750 61.7162 69.1180 175.1912 97 Y 4.0431 9.4491 122.1062 60.4320 39.6568 176.9441 98 N 4.3840 8.2895 115.6061 55.1618 39.0042 175.5744 99 S 4.4221 7.8171 114.5234 57.5065 60.9903 173.3091 100 E 3.9539 8.8941 128.0843 56.9973 27.1813 174.0148 101 N 4.0729 7.5630 110.8933 54.4118 38.7396 175.0692 102 K 4.3736 7.3474 118.1790 55.5731 32.6228 176.0602 *104 C 4.2789 8.4802 121.5286 59.8830 32.5812 174.8631 105 L 3.8616 8.6700 128.9809 58.1655 42.1099 178.3100 106 G 3.3799 7.6160 107.1819 48.5575 0.0000 176.8111 107 G 4.5208 7.7570 106.5130 45.1669 0.0000 175.3173 *109 F 4.6737 8.2214 120.5807 57.1322 41.0651 177.4355 110 A 4.2827 8.8669 123.0433 55.3016 17.8917 179.8653 111 S 4.1913 8.3200 111.8122 60.9354 63.3788 175.4244 112 D 4.8136 7.7954 120.3004 53.7664 40.8950 177.5652 113 F 4.0443 8.0463 123.8221 61.7815 39.1235 177.3593 114 Q 4.1667 8.3107 115.0449 58.2498 28.7537 177.0267 115 S 4.4948 8.0305 110.7021 58.4127 63.7343 174.1066 116 L 4.4700 7.3294 121.6429 52.8892 42.9533 175.4316 117 P 4.3526 0.0000 0.0000 62.4196 33.2305 177.9492 118 V 3.6657 8.2903 119.9270 66.0790 31.4948 178.4023 119 S 4.0667 8.0362 113.5794 61.8192 62.5009 176.6625 120 I 3.5215 7.4673 122.8850 63.6066 36.8925 177.9805 121 Q 3.6782 7.7208 118.9759 59.2190 28.5293 179.0890 122 N 4.4185 8.3468 117.4126 56.4252 38.5393 177.6063 123 Q 3.9894 8.0323 119.1054 58.7625 28.8817 178.5797 124 A 4.0093 8.2540 122.1496 55.1819 18.3884 179.7841 125 K 4.1854 8.4959 117.0697 59.7624 32.1440 179.7618 126 K 4.0482 8.1644 118.7781 59.0491 31.9982 179.2617 127 F 4.0488 8.2493 121.1640 61.4504 39.2835 177.3208 128 F 4.1537 8.0846 116.9130 60.3982 38.6419 177.4782 129 E 4.0092 8.6217 118.6474 59.3136 29.2573 179.1845 130 L 3.9259 7.9602 120.1527 58.2711 42.1816 179.1464 131 I 3.6413 7.3711 119.4268 64.3881 36.9356 178.5952 132 I 3.7363 8.1383 121.0155 64.4743 36.9785 178.3861 133 E 3.9719 8.4095 119.5559 58.9295 29.2401 179.3285 134 W 3.9741 8.2505 128.4495 60.3680 30.8438 177.9238 135 L 3.6111 8.0881 118.9410 57.6547 41.0117 179.2586 136 K 3.8048 8.2691 119.8819 59.6396 32.1425 178.9282 137 G 3.3928 7.8965 105.6925 47.5828 0.0000 175.7804 138 V 3.2567 6.9431 119.6130 65.6827 31.7565 177.8446 139 L 4.0200 7.7124 118.6127 57.8048 41.4631 179.3957 140 E 4.3761 8.6922 120.3574 58.9272 29.1086 179.4214 141 T 3.9566 7.5959 108.6992 64.0412 68.7358 174.9975 142 N 4.7600 7.8604 118.2590 53.2173 39.1082 175.5089 143 G 3.9075 7.9323 106.7251 45.3224 0.0000 173.9221 144 Y 4.0544 7.7423 118.2596 57.5792 38.6465 175.5471 145 D 4.6393 8.4535 124.0506 52.3869 42.2948 176.9903 146 N 4.4100 8.5346 116.5543 57.1047 38.8969 176.4532 147 E 4.0121 8.1532 119.3989 59.4827 29.6324 179.3322 148 S 4.1999 8.8947 115.6932 61.6354 62.8036 176.8924 149 S 3.9153 8.4975 118.3115 61.4594 62.5488 176.5755 150 L 3.8943 7.9644 122.9948 58.0089 41.7670 178.9118 151 S 4.0426 8.1485 113.1221 61.4260 62.3398 175.9688 152 L 4.1279 8.1298 122.9440 57.8546 41.7783 178.5775 153 A 3.9261 8.1866 121.1668 55.3116 18.3471 179.8531 154 K 3.9594 8.1901 116.8954 59.4811 31.9812 179.6562 155 Q 3.8937 8.2944 118.5266 58.9589 28.5980 178.7979 156 I 3.6879 8.0798 121.0457 64.6789 37.1734 178.4454 157 I 3.8960 7.9181 119.1673 64.0024 37.6936 178.0920 158 S 4.0276 8.1452 116.2644 61.5067 62.7115 176.4501 159 L 3.8093 8.0719 123.3126 57.8504 41.7688 178.8498 160 V 3.5247 8.0469 118.6524 66.2655 31.4252 177.9076 161 E 4.1722 8.5564 118.3400 59.4810 29.3425 179.7254 162 G 3.6798 8.4505 106.1579 47.6266 0.0000 176.0536 163 G 3.7105 8.6517 108.5739 47.5657 0.0000 175.8451 164 L 4.0831 8.1872 121.4949 57.4195 41.4369 179.2128 165 L 3.9128 7.7745 119.1839 58.1891 42.2981 178.6363 166 L 3.8710 7.7390 118.2799 57.0237 41.8019 178.9095 167 A 4.4237 8.1518 121.4479 55.2267 18.1480 179.3490 168 R 4.6218 7.5893 113.2451 57.3903 29.8533 178.4889 169 L 4.1044 7.5011 120.0504 57.2002 41.5670 177.2667 170 Y 4.8561 7.3751 112.7886 56.0397 38.9341 174.9069 171 G 4.0662 8.3079 106.3015 47.2547 0.0000 174.5441 172 D 4.7032 8.3220 121.0675 52.4630 40.2631 176.3432 173 E 4.0289 8.6063 125.5419 58.2908 29.7524 178.6415 174 T 4.1339 8.1835 112.8886 64.3081 68.4607 176.3911 175 F 4.1746 7.7049 120.1166 60.3775 39.2882 177.1620 176 L 4.3804 7.8582 118.2439 57.6272 41.5731 178.8713 177 E 4.1095 8.4574 118.8154 59.4923 29.4006 179.6818 178 G 3.8138 8.2565 105.6943 47.5929 0.0000 176.0318 179 V 3.4969 7.5828 120.0425 65.9154 31.4399 178.1802 180 R 3.9595 7.9169 117.9788 59.7113 30.0210 177.9313 181 H 4.2329 8.6916 116.5526 58.7643 28.8161 177.5268 182 F 4.1493 8.4221 122.3841 61.2892 39.3784 177.1315 183 I 3.6044 7.9239 119.3216 64.6792 36.7618 178.1457 184 D 4.3847 8.1712 118.3777 57.3443 40.7491 178.3924 185 Q 4.2120 8.0265 116.4822 57.4062 29.0495 177.3512 186 T 4.1803 7.2300 115.2552 63.6905 69.9105 175.1514 187 I 4.3703 6.8448 120.1758 59.7455 38.1361 176.0855 188 K 4.1875 8.7533 123.2236 56.5979 32.0980 176.4171 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 N 8.42 4.63 0.00 2.69 2.85 0.00 0.00 6.89 7.06 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 5 I 7.35 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.10 0.91 0.00 0.00 6 S 8.41 4.26 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.52 4.65 0.00 2.97 2.94 0.00 0.00 6.26 7.22 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 8 T 8.35 3.83 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 1.23 0.00 0.00 9 K 7.75 3.71 0.00 1.39 1.77 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.42 1.23 7.81 10 E 8.32 3.56 0.00 2.01 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 0.00 2.30 2.34 0.00 11 R 7.93 3.89 0.00 2.03 1.94 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 12 I 7.72 3.63 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.81 0.00 0.00 13 L 7.87 3.68 0.00 0.95 0.52 0.31 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.93 4.36 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.61 2.05 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 0.92 0.00 0.00 0.89 0.00 0.00 16 A 8.09 3.51 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 17 E 8.34 3.81 0.00 2.43 2.31 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 2.46 2.36 0.00 18 A 7.74 3.92 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 19 L 7.98 3.85 0.00 1.30 1.51 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.62 3.58 1.83 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.09 0.47 0.00 0.00 21 Q 7.93 3.98 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 22 K 7.82 4.13 0.00 1.69 1.81 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.64 7.81 23 D 8.53 4.73 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 24 G 7.98 3.97 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 0.00 0.00 0.00 25 Y 8.45 4.36 0.00 2.64 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 26 N 8.29 4.60 0.00 2.79 2.82 0.00 0.00 6.61 7.35 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 27 A 8.14 4.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.76 5.21 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.79 4.39 0.00 3.93 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 30 F 8.64 4.41 0.00 2.97 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 31 K 8.19 3.98 0.00 1.86 1.84 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.57 7.81 32 D 8.13 4.41 0.00 3.14 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 33 I 7.74 3.71 2.01 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 1.46 0.88 0.85 0.00 0.00 34 A 8.31 4.02 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 35 T 8.02 3.84 4.39 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 1.22 0.00 0.00 36 A 8.05 4.20 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 37 I 7.34 4.21 1.86 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 1.48 0.74 0.90 0.00 0.00 38 N 8.12 4.18 0.00 2.90 2.91 0.00 0.00 6.67 7.61 0.00 0.00 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 I 7.26 4.63 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.90 0.00 0.00 40 K 8.22 4.36 0.00 1.85 1.77 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.42 7.81 41 T 8.73 3.93 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 1.30 0.00 0.00 42 A 8.17 4.14 1.38 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 0.00 0.00 43 S 8.11 4.15 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.57 3.68 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 -0.11 0.00 0.00 45 H 8.18 4.73 0.00 3.43 3.48 0.00 5.64 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 46 Y 7.94 4.30 0.00 2.80 3.06 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 47 H 7.50 4.24 0.00 2.75 2.25 0.00 5.65 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 48 F 8.33 4.84 0.00 3.05 3.06 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 49 P 0.00 4.52 0.00 2.11 2.18 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 50 S 8.35 4.87 0.00 3.99 3.97 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 51 K 8.38 4.01 0.00 1.42 1.75 0.00 1.15 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.22 7.81 52 E 8.32 4.07 0.00 2.14 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 2.40 2.42 0.00 53 D 8.11 4.45 0.00 3.10 2.95 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 54 L 8.01 3.43 0.00 1.68 2.06 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.34 4.04 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 1.25 0.00 0.00 64 D 8.22 4.36 0.00 2.89 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 65 K 7.80 3.78 0.00 1.60 1.55 0.00 1.20 0.00 0.00 0.78 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.10 0.97 7.81 66 I 7.69 3.53 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.15 0.74 0.00 0.00 67 A 8.27 3.83 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 68 A 7.87 3.90 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 69 V 7.50 3.46 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 0.90 0.00 0.00 0.83 0.00 0.00 70 L 7.92 3.47 0.00 1.31 0.13 0.34 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.13 4.27 0.00 3.88 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 72 D 7.82 4.43 0.00 2.85 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 73 I 7.67 3.98 2.21 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 1.59 0.79 1.29 0.00 0.00 74 S 8.53 4.31 0.00 4.20 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 75 N 8.05 4.91 0.00 2.75 2.89 0.00 0.00 7.02 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 7.98 4.68 0.00 2.99 2.92 0.00 0.00 6.90 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.30 4.41 0.00 4.03 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 78 S 7.91 4.32 0.00 3.97 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 79 L 7.62 4.65 0.00 1.81 1.69 1.00 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0.00 3.06 0.00 0.00 0.00 0.00 1.79 1.66 7.81 88 F 8.70 4.12 0.00 3.10 3.58 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 89 F 8.35 4.02 0.00 3.19 3.22 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 90 D 8.23 4.10 0.00 2.90 2.64 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 91 A 7.97 3.90 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 92 I 7.53 3.67 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.00 0.92 0.00 0.00 93 L 7.77 3.84 0.00 1.56 1.56 0.39 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.50 3.83 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 95 L 7.52 4.32 0.00 1.66 1.69 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.03 3.99 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 124 A 8.25 4.01 1.55 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 0.00 0.00 125 K 8.50 4.19 0.00 2.10 2.00 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 2.03 7.81 126 K 8.16 4.05 0.00 2.04 1.90 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.65 7.81 127 F 8.25 4.05 0.00 3.04 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 0.00 128 F 8.08 4.15 0.00 3.29 3.13 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 0.00 129 E 8.62 4.01 0.00 2.25 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 2.38 2.50 0.00 130 L 7.96 3.93 0.00 1.82 1.60 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.37 3.64 1.89 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.03 0.94 0.00 0.00 132 I 8.14 3.74 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 0.91 0.00 0.00 133 E 8.41 3.97 0.00 2.10 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 2.46 2.48 0.00 134 W 8.25 3.97 0.00 3.44 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 0.00 135 L 8.09 3.61 0.00 1.81 1.57 0.79 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.27 3.80 0.00 1.76 1.98 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 137 G 7.90 3.39 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 0.00 138 V 6.94 3.26 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.51 0.00 0.00 139 L 7.71 4.02 0.00 1.68 1.29 0.65 0.36 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 0.00 140 E 8.69 4.38 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 141 T 7.60 3.96 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 1.23 0.00 0.00 142 N 7.86 4.76 0.00 2.80 3.19 0.00 0.00 7.40 7.84 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 0.00 143 G 7.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Y 7.74 4.05 0.00 3.16 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 0.00 145 D 8.45 4.64 0.00 2.96 2.83 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 0.00 146 N 8.53 4.41 0.00 2.85 2.86 0.00 0.00 6.91 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.15 4.01 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 148 S 8.89 4.20 0.00 4.06 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 0.00 149 S 8.50 3.92 0.00 3.94 3.97 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 0.00 150 L 7.96 3.89 0.00 1.89 1.79 0.91 0.67 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 0.00 151 S 8.15 4.04 0.00 3.94 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 0.00 152 L 8.13 4.13 0.00 1.77 1.50 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.19 3.93 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 0.00 154 K 8.19 3.96 0.00 1.98 1.83 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 155 Q 8.29 3.89 0.00 2.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 156 I 8.08 3.69 2.08 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 1.66 1.06 1.07 0.00 0.00 157 I 7.92 3.90 2.00 0.00 0.00 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 1.87 1.69 1.04 0.00 0.00 158 S 8.15 4.03 0.00 4.01 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 0.00 159 L 8.07 3.81 0.00 1.51 1.63 0.81 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.05 3.52 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 1.19 0.00 0.00 1.00 0.00 0.00 161 E 8.56 4.17 0.00 2.16 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 2.71 2.55 0.00 162 G 8.45 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 0.00 0.00 0.00 163 G 8.65 3.71 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 0.00 0.00 0.00 164 L 8.19 4.08 0.00 1.95 1.81 1.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.77 3.91 0.00 1.78 1.83 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.74 3.87 0.00 0.75 0.46 0.82 0.82 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 0.00 167 A 8.15 4.42 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.62 0.00 2.10 2.21 0.00 3.11 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.50 0.00 169 L 7.50 4.10 0.00 0.79 1.17 0.56 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 170 Y 7.38 4.86 0.00 2.95 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 0.00 171 G 8.31 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 0.00 0.00 0.00 172 D 8.32 4.70 0.00 2.65 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 0.00 173 E 8.61 4.03 0.00 2.15 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 0.00 2.41 2.37 0.00 174 T 8.18 4.13 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 1.17 0.00 0.00 175 F 7.70 4.17 0.00 3.08 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 0.00 176 L 7.86 4.38 0.00 1.77 1.80 0.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 177 E 8.46 4.11 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 178 G 8.26 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 0.00 179 V 7.58 3.50 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.94 0.00 0.00 180 R 7.92 3.96 0.00 2.17 2.11 0.00 3.44 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 181 H 8.69 4.23 0.00 3.38 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 F 8.42 4.15 0.00 3.12 3.22 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 0.00 183 I 7.92 3.60 2.07 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 1.64 1.24 0.97 0.00 0.00 184 D 8.17 4.38 0.00 2.65 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 0.00 185 Q 8.03 4.21 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 186 T 7.23 4.18 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 187 I 6.84 4.37 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.95 0.00 0.00 188 K 8.75 4.19 0.00 1.69 1.67 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.