NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0441 8.0549 120.3905 61.8346 32.4698 175.3297 4 P 4.3254 0.0000 0.0000 62.3702 31.9533 174.1389 5 M 4.8600 8.8443 120.2851 53.2483 36.6614 175.1417 6 D 4.5532 8.3830 120.9656 54.4675 41.9582 176.5688 7 T 4.1532 8.3986 119.3386 63.8375 69.7774 173.2816 8 I 4.6800 8.2726 126.4406 60.2457 38.7420 175.1854 9 S 4.4350 8.6798 122.8269 57.4683 65.2289 175.3505 10 G 2.2974 7.9224 110.3368 44.7645 0.0000 171.8475 11 P 3.9879 0.0000 0.0000 62.2548 32.1653 175.5710 12 W 4.5757 8.3515 120.8413 56.0725 31.5006 174.8438 13 G 2.7756 7.8468 105.4703 43.8035 0.0000 171.8009 14 N 4.9232 8.4959 122.1502 51.3153 40.4766 174.0571 15 N 4.6500 8.6095 113.5622 52.6931 37.5698 175.1385 16 G 3.7761 8.2272 108.8633 45.9724 0.0000 174.9012 17 G 3.9369 8.4699 106.6739 45.4613 0.0000 172.3609 18 N 5.2913 8.6310 116.0253 50.9924 43.1104 174.1333 19 F 5.0082 8.9636 123.1032 58.3988 40.3779 174.1718 20 W 5.1694 7.7862 120.6663 55.2289 31.9907 173.6080 21 S 5.0549 8.6229 113.8529 57.4884 65.2320 173.7547 22 F 4.7790 9.8777 129.7406 57.7734 42.0984 173.0803 23 R 4.3654 8.1801 127.0035 53.4629 30.5154 172.8002 24 P 4.2908 0.0000 0.0000 61.3398 32.5828 177.2479 25 V 3.5425 8.1647 118.9751 65.3190 31.6025 175.7612 26 N 4.7984 7.5875 115.6860 50.9025 40.6309 173.9703 27 K 4.0908 8.2242 120.2141 56.2481 32.7354 176.3668 28 I 4.1657 8.4201 127.0646 61.7558 37.1361 175.3077 29 N 5.0682 8.9820 122.4792 52.6288 39.1667 173.9540 30 Q 5.0248 7.8802 120.6413 54.8749 33.1792 173.0301 31 I 4.8309 8.5849 125.7419 59.3572 41.1577 174.2799 32 V 4.4813 8.3691 126.8667 61.0556 34.0210 174.0909 33 I 4.3702 8.4417 129.2768 59.8362 39.0177 174.7485 34 S 4.9041 8.4670 123.8495 57.2801 64.7937 173.0434 35 Y 5.1851 9.0507 121.8403 56.2958 41.0721 174.7923 36 G 4.5256 8.7982 108.2215 45.1892 0.0000 173.7058 37 G 4.1443 8.6057 105.3861 46.0632 0.0000 174.3436 38 G 3.9786 8.5411 106.0779 45.7538 0.0000 174.3786 39 G 3.9320 7.4967 107.8530 44.5661 0.0000 172.0370 40 N 4.0172 8.4547 113.8219 53.9461 39.3205 176.2278 41 N 4.5295 7.8628 116.7385 50.2079 39.1331 172.7141 42 P 4.5691 0.0000 0.0000 62.6874 31.9321 176.2643 43 I 4.7808 8.8133 115.0077 61.2205 40.4241 174.9621 44 A 4.7312 7.5312 122.3277 50.5256 22.8417 174.8722 45 L 4.6933 8.5789 119.1739 52.9676 45.6579 175.8400 46 T 4.5057 8.2335 120.0815 61.6418 71.3407 172.9549 47 F 5.3642 8.2635 125.7228 55.7990 41.6199 175.1707 48 S 5.3432 9.1344 116.4744 56.9517 67.2777 172.8747 49 S 5.0388 9.3312 115.6193 57.1594 65.0712 172.5828 50 T 5.0021 8.9587 124.6320 62.2346 69.7311 175.1804 51 K 4.4617 8.8306 125.5238 54.4060 34.1476 177.3838 52 A 3.9809 8.5944 123.4563 55.5028 18.1849 178.4342 53 D 4.5282 8.0355 112.2409 53.6966 39.7433 177.3148 54 G 3.9605 8.2604 109.4102 45.4091 0.0000 174.2764 55 S 4.4264 8.1711 114.6751 57.7186 64.0158 172.8480 56 K 5.0092 8.2197 121.8508 54.8292 34.5264 175.2352 57 D 4.8887 9.0431 127.6615 54.6018 42.2812 175.3878 58 T 4.8960 8.2986 115.0272 61.1733 70.5975 172.3269 59 I 4.4897 7.9225 126.2075 59.5056 41.9968 173.6289 60 T 4.8441 8.2488 123.8057 61.7116 71.0838 173.7764 61 V 3.9821 8.1611 119.1867 60.3887 35.4583 176.9241 62 G 3.9803 8.7809 112.0106 45.8338 0.0000 173.4828 63 G 3.7604 8.5029 104.6599 46.1159 0.0000 175.1212 64 G 3.6162 7.9256 107.8792 46.2392 0.0000 174.2954 65 G 2.5881 6.7932 108.7623 42.4577 0.0000 171.5552 66 P 4.2537 0.0000 0.0000 63.5576 31.6604 176.2210 67 D 4.3700 7.9605 119.2178 54.8757 41.0437 176.7605 68 S 4.2194 8.5289 118.9238 58.0595 63.7845 173.9025 69 I 4.1795 8.2524 124.7237 61.5329 36.8973 175.7102 70 T 4.4476 8.4400 115.9890 61.3241 69.6675 174.4770 71 G 4.3016 7.6131 108.2915 46.4565 0.0000 172.4149 72 T 5.3924 8.6071 109.4172 60.0994 72.1949 172.8572 73 E 4.9447 9.0656 121.2921 54.9791 34.1191 174.5862 74 M 5.0273 8.5044 120.3265 53.5546 35.9085 174.9254 75 V 4.2162 8.6355 123.4726 61.3659 33.6159 174.0120 76 N 5.2952 8.7094 125.6273 51.6545 40.2470 174.2438 77 I 4.3221 8.6003 126.4631 60.0985 38.3571 176.8404 78 G 3.9343 9.0705 116.5911 44.8557 0.0000 174.4754 79 T 3.8569 8.6354 115.6980 66.7919 68.2884 175.3601 80 D 4.8635 8.0743 117.2477 53.8765 41.0294 175.4271 81 E 4.9529 8.0226 120.4141 54.6403 31.9140 174.6065 82 Y 5.0684 8.5500 121.9301 55.2670 42.0072 174.0979 83 L 4.8245 8.9431 121.6764 55.7352 42.2991 177.6656 84 T 4.5639 9.2906 112.3732 61.9662 71.0275 173.9094 85 G 4.4862 7.9580 107.3678 45.1764 0.0000 171.8776 86 I 5.4580 8.7062 113.4525 59.4078 41.6795 174.1374 87 S 3.8893 7.6853 116.3382 56.9075 66.7714 173.9003 88 G 3.4091 6.0492 105.2463 46.2118 0.0000 171.4413 89 T 5.3738 7.7010 109.1779 60.2512 72.9560 173.0641 90 F 5.1457 8.8631 121.2537 56.1099 42.4880 175.2318 91 G 3.9875 8.6797 108.0735 46.3191 0.0000 171.5030 92 I 4.7911 8.5683 120.9875 60.8327 38.2615 175.4731 93 Y 4.6219 8.7710 127.5098 56.7060 41.1390 175.0864 94 L 3.1574 9.0034 128.0854 56.0583 39.2715 174.6270 95 D 4.5117 8.2787 112.2490 55.0270 38.6833 173.3618 96 N 5.0796 7.9796 116.8135 51.4304 41.6628 173.5903 97 N 5.1842 8.8761 122.1522 53.1217 39.4426 173.9814 98 V 4.9996 8.9965 119.4038 59.3334 37.2798 174.3914 99 L 3.4431 9.2011 124.6412 55.8246 41.5347 176.7562 100 R 4.6002 9.0694 125.1865 56.9965 32.8858 176.0732 101 S 5.0439 7.5527 111.3259 57.3441 66.8804 173.3236 102 I 4.9212 8.5944 120.3641 60.0972 41.4013 173.4501 103 T 4.9627 8.7551 124.5997 61.7043 72.1963 172.9435 104 F 5.0554 9.2671 124.5731 56.3632 41.2468 174.6489 105 T 5.0682 9.1366 122.1544 62.4564 70.4132 174.5407 106 T 5.1208 8.7297 116.0006 59.3638 71.9485 174.5841 107 N 4.1449 8.2292 118.3636 55.0161 37.1960 175.8474 108 L 4.3739 7.3845 118.2750 55.8624 43.1132 176.2715 109 K 4.1836 7.1573 114.8989 56.0915 35.3800 173.5727 110 A 4.6042 8.4573 122.8485 51.6323 19.6389 176.5074 111 H 4.8578 9.6044 120.5715 54.0721 31.0477 173.0473 112 G 3.0377 8.4460 110.9535 43.1300 0.0000 171.3113 113 P 4.1725 0.0000 0.0000 62.2257 32.2243 175.6017 114 Y 4.4654 8.6842 119.5425 59.9648 38.0103 175.8538 115 G 4.5402 8.4918 110.6746 45.6717 0.0000 171.8069 116 Q 4.4260 7.9589 117.2842 54.2761 30.1354 177.2321 117 K 4.2880 8.1682 122.4718 55.7775 30.3298 175.9884 118 V 4.4463 7.4899 114.4508 60.1359 36.1772 176.7842 119 G 3.8482 8.8342 108.6969 44.6790 0.0000 171.6759 120 T 4.6642 8.5924 116.6839 61.6264 70.0204 173.2859 121 P 5.1631 0.0000 0.0000 62.7591 32.6643 175.3958 122 F 5.0257 8.8107 115.6964 55.6312 41.8114 173.2996 123 S 4.5886 7.8403 113.1709 56.7221 65.1933 173.8836 124 S 4.4159 8.4517 121.9358 57.9255 64.3178 173.3182 125 A 4.3312 8.6430 125.7928 51.4377 18.9451 177.4533 126 N 4.7636 8.8180 123.6587 52.5889 39.2502 170.8998 127 V 4.2766 8.6083 118.7237 60.2685 32.7579 172.9548 *130 N 4.4887 9.0448 111.8109 53.7722 40.7964 171.8996 131 E 5.0569 8.5741 124.2221 54.3679 33.0564 174.6166 132 I 4.4860 8.7166 128.4141 61.4023 37.4471 176.2113 133 V 4.2472 8.3648 119.8037 60.5170 32.9847 175.2437 134 G 4.0352 6.9604 107.2683 46.1611 0.0000 172.0933 135 F 5.6101 8.9947 117.8130 55.7903 43.6919 174.2533 136 L 4.0297 8.1912 120.1015 53.9957 44.3783 175.4662 137 G 3.3547 5.6499 104.0034 45.9023 0.0000 171.7080 138 R 5.4293 7.5903 118.3286 55.0099 34.8283 174.6706 139 S 5.2669 8.9527 114.7613 59.3089 67.2692 176.4957 140 G 4.4556 9.3476 112.6102 46.6731 0.0000 175.5630 141 Y 4.2966 9.5172 126.1683 60.4519 39.3221 174.6358 142 Y 5.4485 7.4281 114.2291 55.3073 42.3290 173.0782 143 V 4.5455 8.4629 120.2727 62.5641 32.2112 176.4335 144 D 5.1106 9.4200 128.6800 56.5892 42.4361 176.4257 145 A 4.8673 8.0823 117.5005 51.1127 22.7580 175.1232 146 I 5.0650 9.0555 119.8837 60.0017 42.4078 174.3242 147 G 4.3468 9.4369 114.9389 45.3182 0.0000 170.8521 148 T 5.0526 8.4710 108.3794 60.0330 72.4707 172.5654 149 Y 5.0939 8.3145 120.3792 56.7362 40.2637 174.6098 150 N 5.5892 8.8591 119.6876 51.8178 42.7703 173.9390 151 R 4.6242 8.6640 121.1058 55.0286 34.3128 174.5125 152 H 4.2340 8.8252 123.9698 56.5289 29.8943 174.8229 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 V 8.05 4.04 2.07 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 0.97 0.00 0.00 0.92 0.00 0.00 4 P 0.00 4.33 0.00 2.14 1.95 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 5 M 8.84 4.86 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 6 D 8.38 4.55 0.00 2.65 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 7 T 8.40 4.15 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 1.22 0.00 0.00 8 I 8.27 4.68 1.75 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 0.84 0.53 0.66 0.00 0.00 9 S 8.68 4.43 0.00 3.84 3.88 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 10 G 7.92 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 0.00 0.00 0.00 11 P 0.00 3.99 0.00 1.82 1.71 0.00 3.40 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 12 W 8.35 4.58 0.00 2.88 2.69 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 0.00 0.00 0.00 0.00 13 G 7.85 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 0.00 0.00 0.00 14 N 8.50 4.92 0.00 2.70 2.68 0.00 0.00 6.84 8.88 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 15 N 8.61 4.65 0.00 2.83 2.91 0.00 0.00 5.91 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 16 G 8.23 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 0.00 0.00 0.00 17 G 8.47 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 0.00 0.00 0.00 18 N 8.63 5.29 0.00 2.69 2.79 0.00 0.00 7.08 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 19 F 8.96 5.01 0.00 2.94 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 20 W 7.79 5.17 0.00 3.33 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 21 S 8.62 5.05 0.00 3.66 3.80 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 22 F 9.88 4.78 0.00 3.29 3.17 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 0.00 0.00 0.00 0.00 23 R 8.18 4.37 0.00 1.20 1.36 0.00 3.21 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 0.00 24 P 0.00 4.29 0.00 2.05 1.50 0.00 3.70 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.60 0.00 25 V 8.16 3.54 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 0.77 0.00 0.00 0.87 0.00 0.00 26 N 7.59 4.80 0.00 2.74 2.75 0.00 0.00 6.85 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 27 K 8.22 4.09 0.00 1.73 1.74 0.00 2.01 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.52 7.81 28 I 8.42 4.17 2.05 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.76 1.24 0.00 0.00 29 N 8.98 5.07 0.00 2.79 3.06 0.00 0.00 5.94 7.53 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 30 Q 7.88 5.02 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.90 0.00 0.00 0.00 0.00 0.00 2.22 2.57 0.00 31 I 8.58 4.83 1.35 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.36 0.12 0.00 0.00 32 V 8.37 4.48 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 0.93 0.00 0.00 0.77 0.00 0.00 33 I 8.44 4.37 1.37 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.14 0.31 0.00 0.00 34 S 8.47 4.90 0.00 3.58 3.64 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 35 Y 9.05 5.19 0.00 2.93 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 36 G 8.80 4.53 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 0.00 0.00 0.00 37 G 8.61 4.14 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 0.00 0.00 0.00 38 G 8.54 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 0.00 0.00 0.00 39 G 7.50 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 40 N 8.45 4.02 0.00 2.57 2.66 0.00 0.00 6.79 6.71 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 41 N 7.86 4.53 0.00 2.50 1.53 0.00 0.00 6.74 8.03 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 42 P 0.00 4.57 0.00 2.08 1.90 0.00 3.62 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 43 I 8.81 4.78 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 1.14 0.00 0.00 44 A 7.53 4.73 1.06 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 0.00 0.00 45 L 8.58 4.69 0.00 0.99 0.55 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.23 4.51 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 0.99 0.00 0.00 47 F 8.26 5.36 0.00 2.84 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 48 S 9.13 5.34 0.00 3.97 3.87 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 49 S 9.33 5.04 0.00 3.99 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 50 T 8.96 5.00 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 1.23 0.00 0.00 51 K 8.83 4.46 0.00 1.98 1.72 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.39 7.81 52 A 8.59 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 53 D 8.04 4.53 0.00 2.78 2.79 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 54 G 8.26 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.17 4.43 0.00 4.05 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 56 K 8.22 5.01 0.00 1.75 1.70 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.47 7.81 57 D 9.04 4.89 0.00 2.87 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 58 T 8.30 4.90 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 1.17 0.00 0.00 59 I 7.92 4.49 1.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.15 0.40 0.00 0.00 60 T 8.25 4.84 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 1.00 0.00 0.00 61 V 8.16 3.98 0.92 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 -0.21 0.00 0.00 -0.03 0.00 0.00 62 G 8.78 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 0.00 0.00 0.00 63 G 8.50 3.76 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 0.00 0.00 0.00 64 G 7.93 3.62 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 0.00 0.00 0.00 65 G 6.79 2.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.25 0.00 2.14 2.10 0.00 3.23 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 67 D 7.96 4.37 0.00 2.69 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 68 S 8.53 4.22 0.00 3.98 3.87 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 69 I 8.25 4.18 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.51 0.98 0.00 0.00 70 T 8.44 4.45 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 1.27 0.00 0.00 71 G 7.61 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 72 T 8.61 5.39 4.17 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 0.00 0.00 0.00 1.17 0.00 0.00 73 E 9.07 4.94 0.00 2.01 1.94 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 2.38 2.60 0.00 74 M 8.50 5.03 0.00 1.77 1.87 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 2.41 2.38 0.00 75 V 8.64 4.22 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 0.81 0.00 0.00 76 N 8.71 5.30 0.00 2.62 2.73 0.00 0.00 7.15 7.45 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 77 I 8.60 4.32 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.47 1.00 0.00 0.00 78 G 9.07 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 79 T 8.64 3.86 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 80 D 8.07 4.86 0.00 2.70 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 81 E 8.02 4.95 0.00 1.94 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 2.24 2.32 0.00 82 Y 8.55 5.07 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 83 L 8.94 4.82 0.00 1.94 1.86 1.23 0.87 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 84 T 9.29 4.56 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 1.29 0.00 0.00 85 G 7.96 4.49 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 0.00 86 I 8.71 5.46 1.97 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 1.35 0.00 0.00 87 S 7.69 3.89 0.00 3.55 3.63 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 88 G 6.05 3.41 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 0.00 89 T 7.70 5.37 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 1.16 0.00 0.00 90 F 8.86 5.15 0.00 3.17 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 91 G 8.68 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 0.00 0.00 0.00 92 I 8.57 4.79 1.91 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 1.28 0.65 0.93 0.00 0.00 93 Y 8.77 4.62 0.00 2.79 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 94 L 9.00 3.16 0.00 1.39 1.48 0.60 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.28 4.51 0.00 2.83 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 96 N 7.98 5.08 0.00 2.87 2.88 0.00 0.00 6.63 6.45 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 97 N 8.88 5.18 0.00 2.80 2.84 0.00 0.00 6.84 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 98 V 9.00 5.00 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 0.93 0.00 0.00 1.03 0.00 0.00 99 L 9.20 3.44 0.00 1.55 1.55 0.60 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.07 4.60 0.00 1.67 1.89 0.00 3.29 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 101 S 7.55 5.04 0.00 3.85 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 0.00 102 I 8.59 4.92 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 1.20 0.94 0.00 0.00 103 T 8.76 4.96 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 1.20 0.00 0.00 104 F 9.27 5.06 0.00 3.16 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 0.00 105 T 9.14 5.07 4.40 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 1.22 0.00 0.00 106 T 8.73 5.12 4.31 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 0.00 0.00 1.38 0.00 0.00 107 N 8.23 4.14 0.00 2.57 2.00 0.00 0.00 6.92 7.11 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 0.00 108 L 7.38 4.37 0.00 1.65 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.16 4.18 0.00 1.81 1.81 0.00 1.19 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.16 1.01 7.81 110 A 8.46 4.60 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 0.00 111 H 9.60 4.86 0.00 3.69 3.56 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.45 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 0.00 0.00 0.00 113 P 0.00 4.17 0.00 2.06 1.91 0.00 3.19 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 1.86 1.82 0.00 114 Y 8.68 4.47 0.00 3.28 3.09 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 0.00 115 G 8.49 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.96 4.43 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.39 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 117 K 8.17 4.29 0.00 1.64 1.70 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.48 7.81 118 V 7.49 4.45 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 0.78 0.00 0.00 0.94 0.00 0.00 119 G 8.83 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 0.00 120 T 8.59 4.66 4.40 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 1.31 0.00 0.00 121 P 0.00 5.16 0.00 2.02 2.00 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 122 F 8.81 5.03 0.00 2.66 3.19 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 0.00 123 S 7.84 4.59 0.00 3.57 3.51 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 0.00 124 S 8.45 4.42 0.00 4.14 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 0.00 125 A 8.64 4.33 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 0.00 126 N 8.82 4.76 0.00 2.76 2.64 0.00 0.00 6.56 7.67 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 0.00 127 V 8.61 4.28 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 0.91 0.00 0.00 0.93 0.00 0.00 *130 N 9.04 4.49 0.00 2.70 2.95 0.00 0.00 6.59 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 0.00 131 E 8.57 5.06 0.00 1.88 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 2.19 2.52 0.00 132 I 8.72 4.49 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.48 0.00 0.00 133 V 8.36 4.25 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 0.67 0.00 0.00 0.99 0.00 0.00 134 G 6.96 4.04 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 0.00 0.00 0.00 135 F 8.99 5.61 0.00 2.89 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 0.00 136 L 8.19 4.03 0.00 1.42 1.52 0.81 0.13 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 0.00 137 G 5.65 3.35 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 0.00 0.00 0.00 0.00 138 R 7.59 5.43 0.00 1.84 2.02 0.00 3.19 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 139 S 8.95 5.27 0.00 4.09 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 0.00 140 G 9.35 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 0.00 141 Y 9.52 4.30 0.00 2.22 1.76 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 0.00 142 Y 7.43 5.45 0.00 3.18 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 0.00 143 V 8.46 4.55 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 1.16 0.00 0.00 0.96 0.00 0.00 144 D 9.42 5.11 0.00 3.01 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 0.00 145 A 8.08 4.87 1.19 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 0.00 0.00 0.00 146 I 9.06 5.06 2.32 0.00 0.00 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 1.63 2.16 1.23 0.00 0.00 147 G 9.44 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 0.00 0.00 0.00 0.00 148 T 8.47 5.05 4.17 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 0.00 0.00 0.00 1.49 0.00 0.00 149 Y 8.31 5.09 0.00 2.91 2.79 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 0.00 150 N 8.86 5.59 0.00 2.69 2.70 0.00 0.00 6.70 7.01 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 0.00 151 R 8.66 4.62 0.00 1.85 1.67 0.00 3.05 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 152 H 8.83 4.23 0.00 3.17 3.16 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.