NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.4676 8.1300 115.1740 56.5229 39.8258 176.8645 13 V 3.4763 8.0656 123.0012 66.7786 31.1318 175.1218 14 A 3.9946 8.7158 120.3095 55.2297 18.9908 178.3958 15 E 4.0980 8.2674 116.6215 59.7224 29.5746 179.5878 16 L 4.0136 8.1704 118.8890 57.7867 41.2599 178.9913 17 N 4.4632 8.4396 116.9386 56.5288 38.5958 175.8360 18 N 4.7199 7.7727 115.3694 54.1693 38.9089 175.3562 19 L 4.6409 8.1085 120.7638 54.1040 42.1762 176.0616 20 L 4.2702 7.2422 118.6080 56.6264 41.7884 177.9255 21 G 3.9965 9.1682 112.3472 45.1731 0.0000 173.6008 22 R 4.5400 7.9558 119.0448 54.8357 32.4806 175.1893 23 E 4.6874 8.0205 123.0212 56.2138 30.3909 176.2222 24 V 4.7628 9.2036 119.3044 59.6783 36.8606 173.8891 25 Q 5.1298 8.8440 123.0991 54.3687 31.9098 174.3428 26 V 4.7524 9.2918 126.2606 61.1668 34.4540 174.1436 27 V 4.5774 8.5357 128.9472 61.9252 32.8851 174.8179 28 L 5.4082 8.8756 128.3820 52.9669 44.0320 177.8641 29 S 4.3683 9.1075 116.1972 60.2081 63.1034 174.5617 30 N 4.6984 8.2364 118.0138 52.7289 37.2974 175.7987 31 G 4.0136 8.2809 108.8450 45.4672 0.0000 174.1946 32 E 4.3193 8.4606 119.3910 56.0861 31.3471 176.0273 33 V 4.8439 8.0020 121.0240 61.4508 34.9936 173.5052 34 Y 5.0075 8.9758 125.2561 55.9605 41.0287 174.5293 35 K 4.9286 8.7287 125.0327 55.0220 35.6220 175.4846 36 G 4.4601 8.3941 112.3497 46.2329 0.0000 171.5038 37 V 4.5118 7.9494 120.3399 61.9127 33.0880 176.1466 38 L 4.2499 8.8883 130.7366 55.8409 42.1991 176.3640 39 H 4.5986 9.1251 127.1819 57.9589 31.1947 174.9070 40 A 4.6150 7.4841 116.2832 51.0292 22.3493 175.4862 41 V 4.9509 8.3940 119.6416 61.2950 34.9373 174.3320 42 D 5.0462 8.4153 126.2714 51.1303 41.9332 176.6613 43 N 4.2551 8.5847 115.4896 56.1127 38.4430 176.2104 44 Q 3.9514 8.0358 114.7177 55.1591 28.9989 175.3955 45 L 3.7427 7.8648 117.0560 55.8040 39.6694 174.4783 46 N 4.9035 8.4801 115.4776 53.4516 40.0030 174.5608 47 I 4.9963 8.6121 121.9509 59.5824 41.6241 174.3688 48 V 4.6593 8.8947 126.2493 61.1676 33.7463 174.3450 49 L 5.2274 8.6254 127.3824 53.0297 44.7129 175.2281 50 A 4.8938 8.7525 123.4589 50.4367 21.9144 176.0813 51 N 4.4146 8.2406 116.5473 54.3090 36.7942 173.8759 52 A 5.2561 8.1004 120.3777 50.4959 22.5817 177.6230 53 S 5.8602 9.3447 113.6745 55.8556 67.2561 173.2603 54 N 5.3832 8.2775 118.5744 50.2654 39.6670 175.6961 55 K 3.8925 8.3803 117.0932 59.3251 32.1347 178.1694 56 A 4.1516 7.9740 119.1080 52.2167 18.1794 178.1490 57 G 3.9265 8.0008 104.8178 45.7230 0.0000 174.3247 58 E 4.1584 8.4346 119.9530 56.1460 30.8150 176.0684 59 K 5.0499 7.8675 120.8332 54.6901 35.7908 175.6852 60 F 4.7527 9.1317 122.3204 55.5058 42.7096 175.6500 61 N 4.4560 9.0397 120.9353 56.4361 40.0159 174.8217 62 R 4.9642 7.8226 115.1883 54.3111 34.5682 174.9884 63 V 3.9989 8.2512 122.1517 61.0831 34.5735 174.2135 64 F 4.7337 8.7520 127.2271 56.4017 39.5736 175.2754 65 I 4.2737 8.4640 132.7059 60.8353 39.6201 176.8202 *67 Y 4.7570 8.5150 119.5927 58.1585 39.7643 177.6158 68 R 3.6452 6.9973 117.8944 58.4323 30.2616 176.6784 69 Y 4.3760 7.7432 113.2132 57.5393 38.5380 174.5599 70 I 4.3161 7.5978 122.4518 61.2940 37.4011 175.9040 71 V 4.1441 9.0199 128.6533 65.1627 32.0381 175.4160 72 H 4.9885 7.7572 113.4096 54.7321 31.7880 171.7357 73 I 5.0253 8.2798 119.4770 59.6749 39.9084 174.7816 74 D 5.1851 9.3115 126.4139 52.1829 44.3290 176.0937 75 S 4.6371 8.6619 116.1647 58.4596 63.9185 174.0704 76 T 4.4903 8.3463 110.0883 61.3947 70.3338 173.8805 77 E 4.5895 7.9148 121.2288 54.9232 31.2773 175.6553 78 R 4.3835 8.1460 120.3999 55.1239 31.3916 176.9409 79 R 4.1815 8.2022 119.5984 55.7859 30.8319 176.8002 80 I 3.7151 7.8335 120.4523 61.3768 37.6271 176.0161 81 D 4.5057 8.2960 123.4476 53.8553 42.4566 176.8136 *83 R 3.7429 8.3207 118.4360 55.9651 32.1042 178.0144 84 E 4.0013 8.6070 118.2342 58.9766 29.5727 178.5690 85 F 3.6653 8.4141 120.9213 61.1129 39.3436 176.9214 86 A 4.1409 8.1696 119.9088 54.9946 18.0028 179.1832 87 K 3.8316 7.8278 117.0803 60.0500 32.0740 178.7931 88 Q 4.1045 8.2574 117.8933 58.7041 28.5967 178.4353 89 A 3.9849 8.3546 122.3889 54.8853 18.1198 179.1317 90 E 3.9579 8.2245 117.4784 59.5207 29.7268 178.9610 91 K 4.0900 7.4913 116.6307 59.5872 32.1839 179.1420 92 I 3.7888 7.4606 118.5204 62.4532 38.0072 176.0248 93 F 4.8124 8.2787 118.2514 53.8760 39.3001 171.2631 94 P 4.1638 0.0000 0.0000 63.8612 32.2301 176.8502 95 G 3.6778 8.2713 112.6297 46.3538 0.0000 173.6188 *97 V 4.1797 7.2617 115.8235 62.7165 33.3966 175.4682 98 K 4.6341 8.9327 127.8630 55.0324 35.2531 174.2178 99 Y 4.8425 8.8358 128.8448 57.2111 40.7086 173.9344 100 I 4.2008 7.8874 127.5461 59.2302 38.7976 176.1016 101 E 3.6919 8.4991 129.0095 58.5509 29.9509 177.5839 102 E 4.0414 8.1765 119.1367 58.7176 29.6285 177.1169 103 T 4.4442 7.2007 104.0063 60.1464 69.9419 172.6371 104 N 4.1659 7.8851 118.1838 54.7360 37.8273 173.5803 105 V 4.6472 7.1812 115.0267 60.8312 35.8686 174.0245 106 V 4.9148 8.8827 125.4662 61.2059 33.9640 174.2482 107 L 4.9956 9.0309 128.4099 53.5293 43.8606 175.7114 108 I 4.3867 8.5375 123.6841 60.2143 39.9614 175.8272 109 G 3.9739 8.7085 118.2112 46.1256 0.0000 172.5894 110 D 4.7884 8.6724 118.6703 53.2142 40.4960 176.8658 111 K 4.5123 7.9548 117.4232 55.9175 33.4692 175.4496 112 V 4.6747 7.5728 119.6327 61.0186 34.8972 174.3454 113 R 5.0150 8.8668 126.7689 54.6606 33.8762 173.5640 114 V 4.8068 9.2643 126.3368 61.1268 34.5848 174.7556 115 S 5.1082 8.6039 122.4019 56.0104 66.1261 174.6174 116 E 4.2690 8.8799 115.8911 57.7634 29.1715 177.2222 117 I 4.3368 8.7508 118.8749 60.5787 38.6475 175.5835 118 G 3.4431 6.2945 108.5292 44.5744 0.0000 171.0549 119 V 4.5643 7.3239 118.9608 60.8551 33.4997 174.5884 120 E 4.5134 9.5074 126.7372 55.2340 31.3585 174.7373 121 G 4.3296 7.9919 107.3175 43.8231 0.0000 173.0724 122 V 4.3607 7.9142 112.2146 59.8805 35.6869 176.0015 123 G 3.9543 8.7242 107.0678 44.3903 0.0000 172.5646 124 P 4.2378 0.0000 0.0000 65.8242 31.1189 179.0489 125 V 3.6672 7.7963 115.7458 65.9985 31.4795 177.5308 126 A 4.0076 7.9962 119.9759 55.4769 18.2350 179.3319 127 E 3.9519 8.7587 117.3478 59.5262 29.4922 179.6259 128 R 4.0264 8.5771 118.9716 59.2552 30.1148 178.4070 129 A 4.3341 8.7454 121.1842 55.2330 18.3289 179.7817 130 K 4.0619 8.5759 117.3591 59.7434 32.0613 179.8667 131 R 4.2115 8.2405 118.4430 58.9429 29.9279 178.8746 132 L 4.0942 8.2787 120.5424 57.9661 42.1486 178.5666 133 F 4.2470 8.8868 120.8287 61.6600 39.2810 176.8645 134 E 4.1981 8.8122 118.1997 59.6821 29.0681 179.1606 135 E 4.0013 8.3008 117.5109 59.6690 29.4877 179.2295 136 F 4.1376 8.6130 117.7273 60.4685 38.6919 177.7401 137 L 4.1024 7.9423 117.9108 57.4281 41.5242 179.1900 138 K 4.1964 8.2921 117.6197 58.4548 32.0787 177.8071 139 R 4.2072 7.5033 122.5891 56.3818 30.1639 176.0634 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 12 F 8.13 5.47 0.00 3.20 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 13 V 8.07 3.48 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 1.07 0.00 0.00 0.94 0.00 0.00 14 A 8.72 3.99 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 15 E 8.27 4.10 0.00 2.31 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 2.47 2.51 0.00 16 L 8.17 4.01 0.00 1.79 1.76 1.07 0.34 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 17 N 8.44 4.46 0.00 3.07 2.94 0.00 0.00 7.25 6.24 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 18 N 7.77 4.72 0.00 2.92 2.86 0.00 0.00 6.89 9.20 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 19 L 8.11 4.64 0.00 1.78 1.65 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.24 4.27 0.00 1.68 1.63 0.98 0.92 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 0.00 21 G 9.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.96 4.54 0.00 1.82 1.87 0.00 3.31 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 23 E 8.02 4.69 0.00 2.04 1.86 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 2.33 2.44 0.00 24 V 9.20 4.76 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 0.73 0.00 0.00 1.01 0.00 0.00 25 Q 8.84 5.13 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 26 V 9.29 4.75 2.18 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 0.94 0.00 0.00 0.97 0.00 0.00 27 V 8.54 4.58 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 0.92 0.00 0.00 0.87 0.00 0.00 28 L 8.88 5.41 0.00 1.89 1.64 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.11 4.37 0.00 4.07 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 30 N 8.24 4.70 0.00 2.83 2.91 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.28 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 32 E 8.46 4.32 0.00 2.17 1.89 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 2.34 2.43 0.00 33 V 8.00 4.84 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 1.00 0.00 0.00 0.92 0.00 0.00 34 Y 8.98 5.01 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.73 4.93 0.00 1.79 1.62 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.54 7.81 36 G 8.39 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.95 4.51 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 1.04 0.00 0.00 0.95 0.00 0.00 38 L 8.89 4.25 0.00 1.83 1.71 0.95 0.93 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 39 H 9.13 4.60 0.00 3.11 3.35 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.48 4.62 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 41 V 8.39 4.95 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 0.94 0.00 0.00 0.97 0.00 0.00 42 D 8.42 5.05 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.58 4.26 0.00 2.68 2.86 0.00 0.00 6.84 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 44 Q 8.04 3.95 0.00 2.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 45 L 7.86 3.74 0.00 1.77 1.87 0.67 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.48 4.90 0.00 3.03 2.86 0.00 0.00 6.82 6.85 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 47 I 8.61 5.00 1.93 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 1.18 1.09 0.94 0.00 0.00 48 V 8.89 4.66 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 0.68 0.00 0.00 1.14 0.00 0.00 49 L 8.63 5.23 0.00 1.56 1.53 0.99 0.59 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 50 A 8.75 4.89 1.15 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 0.00 0.00 0.00 0.00 0.00 51 N 8.24 4.41 0.00 2.79 2.82 0.00 0.00 6.80 6.89 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 52 A 8.10 5.26 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 53 S 9.34 5.86 0.00 3.92 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 54 N 8.28 5.38 0.00 2.28 1.62 0.00 0.00 6.75 6.73 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 55 K 8.38 3.89 0.00 1.69 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.33 7.81 56 A 7.97 4.15 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 57 G 8.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.43 4.16 0.00 2.22 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 0.00 2.33 2.33 0.00 59 K 7.87 5.05 0.00 1.37 1.55 0.00 1.54 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.46 7.81 60 F 9.13 4.75 0.00 3.00 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 61 N 9.04 4.46 0.00 2.79 2.84 0.00 0.00 6.89 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 62 R 7.82 4.96 0.00 1.51 0.95 0.00 3.08 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.48 0.00 63 V 8.25 4.00 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 0.41 0.00 0.00 0.75 0.00 0.00 64 F 8.75 4.73 0.00 2.90 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 65 I 8.46 4.27 1.98 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 1.09 0.76 0.94 0.00 0.00 *67 Y 8.51 4.76 0.00 3.29 3.49 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 68 R 7.00 3.65 0.00 1.27 1.35 0.00 2.92 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.94 0.00 69 Y 7.74 4.38 0.00 3.11 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 70 I 7.60 4.32 2.10 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 1.21 0.59 1.04 0.00 0.00 71 V 9.02 4.14 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 0.87 0.00 0.00 1.01 0.00 0.00 72 H 7.76 4.99 0.00 3.18 3.35 0.00 5.45 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.28 5.03 1.76 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 1.39 1.00 0.89 0.00 0.00 74 D 9.31 5.19 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.66 4.64 0.00 3.97 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 76 T 8.35 4.49 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 1.24 0.00 0.00 77 E 7.91 4.59 0.00 1.99 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 2.26 2.33 0.00 78 R 8.15 4.38 0.00 1.80 1.85 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 79 R 8.20 4.18 0.00 1.79 1.86 0.00 3.58 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 1.64 1.87 0.00 80 I 7.83 3.72 1.47 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.24 0.36 0.00 0.00 81 D 8.30 4.51 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 R 8.32 3.74 0.00 1.85 1.74 0.00 2.98 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 84 E 8.61 4.00 0.00 2.15 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 0.00 2.51 2.76 0.00 85 F 8.41 3.67 0.00 2.44 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 86 A 8.17 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 3.83 0.00 1.89 2.10 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 88 Q 8.26 4.10 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 89 A 8.35 3.98 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 90 E 8.22 3.96 0.00 2.11 2.33 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 2.35 2.43 0.00 91 K 7.49 4.09 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.61 7.81 92 I 7.46 3.79 1.29 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.26 -0.21 0.00 0.00 93 F 8.28 4.81 0.00 2.93 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 94 P 0.00 4.16 0.00 2.06 2.04 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 95 G 8.27 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 *97 V 7.26 4.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.17 0.00 0.00 98 K 8.93 4.63 0.00 1.84 1.60 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81 99 Y 8.84 4.84 0.00 3.16 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.89 4.20 1.76 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 1.01 0.79 0.78 0.00 0.00 101 E 8.50 3.69 0.00 1.97 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 2.43 2.62 0.00 102 E 8.18 4.04 0.00 1.91 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 2.28 0.00 103 T 7.20 4.44 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 1.17 0.00 0.00 104 N 7.89 4.17 0.00 2.92 2.93 0.00 0.00 6.86 6.99 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 0.00 105 V 7.18 4.65 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 0.98 0.00 0.00 0.95 0.00 0.00 106 V 8.88 4.91 2.24 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 1.20 0.00 0.00 1.24 0.00 0.00 107 L 9.03 5.00 0.00 1.60 1.54 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.54 4.39 1.67 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 1.15 0.91 0.24 0.00 0.00 109 G 8.71 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 0.00 110 D 8.67 4.79 0.00 2.75 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 0.00 111 K 7.95 4.51 0.00 1.69 1.80 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.30 7.81 112 V 7.57 4.67 2.11 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 1.01 0.00 0.00 0.89 0.00 0.00 113 R 8.87 5.02 0.00 1.85 1.65 0.00 3.05 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 114 V 9.26 4.81 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 0.53 0.00 0.00 1.03 0.00 0.00 115 S 8.60 5.11 0.00 3.88 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 0.00 116 E 8.88 4.27 0.00 2.11 2.11 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 2.28 2.36 0.00 117 I 8.75 4.34 1.86 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 1.23 0.54 0.86 0.00 0.00 118 G 6.29 3.44 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 0.00 119 V 7.32 4.56 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 0.85 0.00 0.00 0.83 0.00 0.00 120 E 9.51 4.51 0.00 1.96 1.78 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 2.18 2.16 0.00 121 G 7.99 4.33 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 0.00 122 V 7.91 4.36 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.72 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 0.00 0.00 0.00 124 P 0.00 4.24 0.00 2.21 2.20 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 125 V 7.80 3.67 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 0.40 0.00 0.00 0.88 0.00 0.00 126 A 8.00 4.01 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 0.00 127 E 8.76 3.95 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 128 R 8.58 4.03 0.00 2.28 2.31 0.00 3.35 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 129 A 8.75 4.33 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 0.00 130 K 8.58 4.06 0.00 2.01 2.08 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.67 7.81 131 R 8.24 4.21 0.00 2.08 2.05 0.00 3.30 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 132 L 8.28 4.09 0.00 2.07 2.04 0.40 1.06 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 0.00 133 F 8.89 4.25 0.00 3.54 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.81 4.20 0.00 2.35 2.11 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 2.45 2.55 0.00 135 E 8.30 4.00 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 136 F 8.61 4.14 0.00 3.16 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 0.00 137 L 7.94 4.10 0.00 1.87 1.80 1.19 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.29 4.20 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.75 7.81 139 R 7.50 4.21 0.00 1.84 1.78 0.00 2.91 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 * Residues marked with a * may have inaccurate shift predictions.