NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4322 8.3049 120.3446 55.4009 33.4104 174.3609 2 Q 4.4895 8.5379 121.7048 51.9186 32.1932 173.5858 3 D 4.8876 8.3529 121.0717 50.5463 44.7489 175.9642 4 A 3.7869 8.6635 122.0963 55.7930 18.2321 179.7970 5 I 3.5687 6.9858 117.3247 64.5737 37.5385 178.4066 6 T 3.7432 7.7329 115.3025 66.5968 68.1185 176.5884 7 A 3.8958 8.0649 122.9882 54.9919 18.2503 179.7165 8 V 3.4595 7.7478 117.0289 66.1736 31.5308 178.0806 9 I 3.6570 7.5944 117.7400 64.1563 37.8466 177.1928 10 N 4.2390 8.0251 116.8463 56.5285 38.1741 177.2615 11 A 4.0499 7.6143 120.6645 54.8856 18.5859 179.3393 12 S 4.3090 7.7161 113.5740 61.0283 62.6397 176.0827 13 D 4.3129 8.3341 121.1416 56.7816 40.7140 178.3419 14 V 3.6812 7.5089 118.2950 65.1059 31.6731 176.4995 15 Q 4.2679 7.5035 113.7918 55.5956 29.2691 176.7672 16 G 3.9705 7.7175 106.3211 44.9987 0.0000 174.1901 17 K 4.2785 7.5256 118.3015 56.2208 32.7465 176.3412 18 Y 4.1122 8.4497 119.2572 56.9025 38.6819 175.1871 19 L 3.8595 8.5717 120.8188 55.4948 41.7492 177.8353 20 D 4.6677 8.4734 123.2649 53.7229 43.7010 176.4305 21 T 3.8619 10.4774 113.9025 65.2549 67.2896 176.1965 22 A 4.3570 8.2374 123.3378 54.3463 18.3713 179.3201 23 A 3.9451 7.9404 119.0720 55.7120 18.4371 179.5376 24 M 4.1046 8.1785 117.0787 58.4599 31.7452 178.9962 25 E 4.0536 7.7532 117.9389 59.2070 29.7044 178.9668 26 K 3.9746 7.8357 118.0752 59.8307 32.1663 179.2697 27 L 3.8518 7.7993 118.5203 57.4684 41.4341 179.8885 28 K 4.2110 7.8976 118.3549 59.4790 31.9096 178.7950 29 A 4.0138 8.6556 120.7980 55.6953 18.5277 178.5217 30 Y 4.1545 8.2630 117.6353 61.1783 38.7077 178.3137 31 F 4.2796 8.1330 118.1033 60.9377 38.8510 177.7426 32 A 4.0310 8.6447 119.4883 54.9207 16.9288 178.7679 33 T 4.2246 7.9280 110.2235 63.1550 67.5931 176.3283 34 G 3.5298 7.3786 106.8834 49.0497 0.0000 174.9183 35 E 3.8512 8.2128 119.8067 59.0667 29.6195 179.4360 36 L 3.4534 7.6277 118.0618 59.2266 40.1814 179.9506 37 R 3.8576 7.8727 118.7188 59.2270 30.1457 178.9311 38 V 3.5948 7.6909 117.4850 65.8888 31.3725 177.6960 39 R 3.8287 8.7968 119.1901 59.5014 29.9694 178.2666 40 A 3.9953 8.2517 120.4071 55.0823 18.1488 179.2274 41 A 3.9280 8.2598 118.4472 55.6044 18.8534 179.5945 42 S 4.2173 8.0776 113.4579 61.7236 62.8897 177.1220 43 V 3.6115 7.5247 120.9592 65.9824 31.2005 177.6999 44 I 3.9817 7.5407 109.1519 62.3824 37.4328 176.7198 45 S 4.4200 7.6637 114.3682 60.2946 62.7907 175.2989 46 A 4.1891 7.8308 123.0121 54.1737 18.4461 178.2798 47 N 4.7219 7.9095 111.9902 53.0261 38.9831 176.3151 48 A 3.9989 8.0967 123.0135 55.4913 18.5331 179.3692 49 A 4.1403 7.8647 118.2973 55.2857 18.9938 179.4545 50 N 4.3843 8.0968 114.4820 56.2950 38.4773 176.8707 51 I 4.0465 7.9143 118.7431 62.4433 37.2877 176.9441 52 V 4.1777 7.3432 119.1853 64.4354 32.9109 176.5100 53 K 3.7809 7.9016 118.9462 60.0199 31.8464 178.0258 54 E 3.9521 8.2737 117.4240 59.5305 29.6771 179.3161 55 A 3.9520 8.0212 119.9199 55.2477 18.4404 179.4666 56 V 3.4584 7.9340 116.3763 66.3293 31.3677 178.0441 57 A 4.1423 7.8182 118.8186 55.1279 18.2597 179.1897 58 K 4.1462 8.1460 117.4939 58.5059 32.4247 177.7897 59 S 4.5891 8.1948 111.6161 58.2947 65.0497 175.6344 60 L 4.2516 8.2815 119.5928 55.6947 42.5814 177.0361 61 L 4.1490 7.7308 116.9174 54.7191 42.3824 175.3814 62 Y 3.8213 7.9559 114.7350 59.2035 35.2519 170.5882 63 S 4.8313 7.5235 111.7624 56.3852 66.5944 174.2240 64 D 4.4750 8.7025 119.0695 57.1905 40.5108 177.5041 65 I 4.4129 7.4859 110.5721 60.3830 38.0134 176.2594 66 T 4.6652 7.6139 110.5320 62.9258 70.5257 173.3418 67 R 4.5384 7.7168 119.4737 54.1451 32.1695 173.4025 68 P 2.9700 0.0000 0.0000 64.5700 31.1060 176.6738 69 G 4.0226 9.0684 111.2459 45.2407 0.0000 173.3176 70 G 4.0241 7.9404 106.0559 46.4694 0.0000 175.3298 *75 M 4.3712 7.6950 118.5625 53.9652 33.9676 174.8599 76 Y 4.2272 7.7830 119.5173 58.6713 39.6655 173.8334 77 T 3.1410 8.2004 122.3648 62.2894 68.3241 173.0820 78 T 3.8152 8.4934 122.5161 65.9623 68.1602 176.4010 79 R 4.2799 7.6770 119.6143 58.5472 30.7488 178.0632 80 R 4.0198 7.6792 117.4213 59.3559 30.3568 177.7401 81 Y 3.8723 8.1505 119.2117 61.0859 38.7543 178.4166 82 A 4.1169 7.7483 121.2693 55.1021 18.2910 179.3767 83 A 4.0316 8.0195 119.3601 55.0239 18.4653 179.2590 84 C 4.0570 7.8939 117.4221 62.0345 31.6337 175.8186 85 I 3.6415 7.5019 114.5470 63.8847 37.2284 177.7685 86 R 3.7100 7.8408 120.5888 59.2863 29.6645 178.2561 87 D 4.4361 7.7156 118.4158 57.3707 41.0302 178.4936 88 L 4.0313 7.7308 119.4200 58.1734 41.7686 179.2834 89 D 4.3982 8.5956 118.8319 57.6330 40.5941 178.5959 90 Y 4.2915 7.4318 117.1165 61.5904 37.9980 178.0185 91 Y 4.6242 8.1288 117.7339 61.4578 37.9881 178.8011 92 L 4.2013 8.1414 120.4850 57.7537 42.2098 178.7799 93 R 3.6373 8.0396 118.4809 58.9831 29.9282 177.8774 94 Y 3.7916 8.3449 116.4741 59.9769 38.2348 177.4193 95 A 3.8929 8.0063 121.8002 55.6501 18.4310 179.4551 96 T 3.6749 7.6229 111.2282 65.5567 67.2355 175.6974 97 Y 4.1778 7.2605 116.8702 61.0789 37.9859 177.8517 98 A 3.8289 8.0085 121.5652 55.5924 18.0603 179.4255 99 M 3.5330 7.2932 115.0874 58.6546 32.4364 178.1110 100 L 4.1156 7.4614 117.5390 57.8170 42.0473 179.1462 101 A 4.1560 8.6906 120.6206 52.2576 18.8778 177.2684 102 G 4.3070 7.6537 105.2969 45.3563 0.0000 173.9218 103 D 4.3569 7.3494 111.4623 51.6438 44.3283 174.3435 104 P 4.4607 0.0000 0.0000 63.9356 31.1309 177.9007 105 S 4.0332 8.8658 115.0294 61.9308 62.1991 176.0113 106 I 3.7456 7.8136 114.8623 64.1316 37.2509 177.4700 107 L 4.1305 8.1565 120.4564 58.0008 41.3591 179.3604 108 D 4.5104 7.9313 116.3526 56.8096 40.7643 177.9411 109 E 4.2102 7.9658 119.8671 57.6847 30.0646 178.5150 110 R 4.6068 8.6450 118.1559 55.4016 30.3130 177.4060 111 V 4.1466 6.4239 113.6835 64.1717 37.3664 175.3444 112 L 3.9437 8.5061 121.0863 56.5568 42.0766 176.5622 113 N 4.0753 8.0752 115.9086 53.8487 37.0357 174.8815 114 G 3.9107 8.8036 110.1915 45.4198 0.0000 173.9457 115 L 3.6100 7.5805 122.5808 57.9332 41.8467 178.7117 116 K 3.8158 7.9537 118.8410 60.0218 31.5217 177.7153 117 E 3.9602 7.9996 118.4976 59.6100 29.3031 179.0869 118 T 3.9332 7.8680 108.7283 65.6325 68.5556 175.2679 119 Y 4.4561 7.9719 119.4049 61.0910 37.7405 178.3575 120 N 4.4018 8.5533 116.9926 56.6112 38.7416 177.2329 121 S 4.2464 8.2594 114.1151 61.3004 62.6444 175.7070 122 L 4.3288 8.5302 120.5953 55.4342 41.7744 177.8265 123 G 4.0143 8.5192 105.5246 44.6506 0.0000 173.9742 124 V 3.2821 7.5830 119.7942 62.3386 31.8820 174.0154 125 P 4.3166 0.0000 0.0000 62.6716 31.8126 176.5998 126 I 3.6475 8.4711 117.5572 64.1979 37.2768 177.3742 127 A 3.9570 8.1314 122.4542 54.6251 18.0518 179.3786 128 A 3.9726 7.8923 118.6042 55.4114 18.7256 179.8339 129 T 3.8712 7.8155 107.9086 64.8082 68.7510 177.0485 130 V 3.5916 7.9066 121.3079 65.9521 31.6732 178.0834 131 Q 4.0739 7.9366 117.3448 58.6309 28.2384 178.6417 132 A 4.1264 8.1324 122.9510 54.6562 18.7446 179.4573 133 I 3.8094 7.7673 111.6666 64.0253 37.3556 178.0863 134 Q 3.7801 8.5246 121.5488 58.9335 28.8099 178.2311 135 A 4.3577 7.7025 122.6523 54.4375 18.3798 179.4592 136 M 3.9793 7.8667 117.6430 57.8127 31.8239 178.7391 137 K 3.5736 6.9821 118.7615 59.6586 32.0514 178.2622 138 E 3.9904 8.0284 118.2210 59.5551 29.2146 179.1390 139 V 3.5768 7.6170 117.9575 66.5451 31.8130 177.9852 140 T 4.0886 8.4008 112.7914 65.0118 67.4531 176.2719 141 A 4.1742 8.7522 123.1895 54.7565 18.0665 179.4202 142 S 4.2524 7.7627 112.2068 60.4113 63.4121 175.0948 143 L 4.5039 7.8470 120.8475 55.3762 42.7860 177.8327 144 V 3.8612 7.6320 110.3685 61.4737 32.3903 175.0483 145 G 3.8480 7.4238 104.3794 43.9775 0.0000 174.8624 146 A 4.0254 8.7164 120.1897 54.9715 18.1899 179.3922 147 D 4.3063 8.1020 115.6435 57.8372 41.2040 178.7197 148 A 4.3198 8.0533 120.2799 54.5855 18.4894 179.7128 149 G 3.4322 7.9767 104.4317 47.9724 0.0000 176.1870 150 K 3.5247 8.2897 120.7811 58.9751 31.5293 178.9483 *161 E 4.4234 8.0203 117.7590 56.6700 31.6246 177.9040 162 M 4.1072 9.1433 119.7884 58.1100 31.8851 178.5770 163 G 3.9178 9.0600 107.2926 47.9530 0.0000 175.2199 164 I 3.6571 7.6961 115.5928 64.1027 37.1907 177.7837 165 Y 4.1384 7.4176 118.0046 60.1619 37.2291 178.3691 166 F 4.3696 8.4275 119.2828 60.8223 39.1456 177.3269 167 D 4.5274 9.0610 118.1519 56.6318 40.4029 178.2350 168 Y 4.0212 7.9640 120.8756 60.7759 38.6753 177.5523 169 I 3.7042 7.6986 119.3245 64.3701 36.8400 178.1350 170 C 4.1884 7.6985 117.2973 62.9864 27.9359 176.2065 171 S 4.2694 7.8990 115.3211 60.5877 62.6993 175.3045 172 G 3.9844 7.3774 108.2934 44.2253 0.0000 174.7589 173 L 4.6704 7.2450 114.6688 54.8207 45.0312 176.8480 174 S 4.1644 7.7799 120.8801 58.9461 63.9016 173.8086 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 1 M 8.30 4.43 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 Q 8.54 4.49 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 3 D 8.35 4.89 0.00 2.69 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 4 A 8.66 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 5 I 6.99 3.57 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 -0.21 0.81 0.00 0.00 6 T 7.73 3.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 7 A 8.06 3.90 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 8 V 7.75 3.46 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 1.01 0.00 0.00 0.95 0.00 0.00 9 I 7.59 3.66 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.94 0.00 0.00 10 N 8.03 4.24 0.00 3.08 2.83 0.00 0.00 6.95 7.05 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 11 A 7.61 4.05 1.30 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 12 S 7.72 4.31 0.00 3.97 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.33 4.31 0.00 2.72 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 14 V 7.51 3.68 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 0.81 0.00 0.00 0.98 0.00 0.00 15 Q 7.50 4.27 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.29 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 16 G 7.72 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 17 K 7.53 4.28 0.00 1.79 1.82 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 18 Y 8.45 4.11 0.00 2.90 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 19 L 8.57 3.86 0.00 1.71 1.72 0.97 1.02 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 20 D 8.47 4.67 0.00 2.73 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 21 T 10.48 3.86 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 1.22 0.00 0.00 22 A 8.24 4.36 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 23 A 7.94 3.95 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 24 M 8.18 4.10 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.88 0.00 25 E 7.75 4.05 0.00 2.32 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 0.00 2.35 2.53 0.00 26 K 7.84 3.97 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 27 L 7.80 3.85 0.00 1.93 1.80 0.97 1.19 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 28 K 7.90 4.21 0.00 2.02 1.94 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.58 1.80 7.81 29 A 8.66 4.01 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 30 Y 8.26 4.15 0.00 2.90 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 31 F 8.13 4.28 0.00 3.43 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 32 A 8.64 4.03 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 33 T 7.93 4.22 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 34 G 7.38 3.53 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 35 E 8.21 3.85 0.00 2.00 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 2.39 0.00 36 L 7.63 3.45 0.00 1.90 1.96 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.87 3.86 0.00 2.05 1.99 0.00 3.09 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 38 V 7.69 3.59 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 1.03 0.00 0.00 0.98 0.00 0.00 39 R 8.80 3.83 0.00 1.85 2.07 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 40 A 8.25 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 3.93 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 42 S 8.08 4.22 0.00 4.07 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 43 V 7.52 3.61 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 44 I 7.54 3.98 1.89 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 1.69 0.84 0.98 0.00 0.00 45 S 7.66 4.42 0.00 4.06 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 46 A 7.83 4.19 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 47 N 7.91 4.72 0.00 2.76 2.85 0.00 0.00 7.00 7.36 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 48 A 8.10 4.00 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 49 A 7.86 4.14 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 50 N 8.10 4.38 0.00 2.86 2.90 0.00 0.00 7.13 7.09 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 51 I 7.91 4.05 2.06 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 1.44 0.64 0.98 0.00 0.00 52 V 7.34 4.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.12 0.00 0.00 53 K 7.90 3.78 0.00 1.98 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.54 7.81 54 E 8.27 3.95 0.00 2.10 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 0.00 2.35 2.51 0.00 55 A 8.02 3.95 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 56 V 7.93 3.46 2.25 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 0.73 0.00 0.00 0.91 0.00 0.00 57 A 7.82 4.14 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 58 K 8.15 4.15 0.00 1.77 1.98 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 59 S 8.19 4.59 0.00 4.02 4.02 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 60 L 8.28 4.25 0.00 1.51 1.67 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.73 4.15 0.00 1.67 1.34 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.02 1.24 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.93 4.51 0.00 2.72 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 0.00 109 E 7.97 4.21 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 110 R 8.65 4.61 0.00 1.88 1.94 0.00 3.42 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 111 V 6.42 4.15 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 0.69 0.00 0.00 0.33 0.00 0.00 112 L 8.51 3.94 0.00 1.72 1.61 0.77 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.08 4.08 0.00 2.78 2.84 0.00 0.00 6.03 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 0.00 114 G 8.80 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 0.00 115 L 7.58 3.61 0.00 1.69 1.44 0.86 -0.90 0.00 0.00 0.00 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0.00 132 A 8.13 4.13 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 0.00 133 I 7.77 3.81 1.95 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 1.56 0.55 1.02 0.00 0.00 134 Q 8.52 3.78 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 135 A 7.70 4.36 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 0.00 136 M 7.87 3.98 0.00 1.97 1.71 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 137 K 6.98 3.57 0.00 1.75 1.69 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.41 7.81 138 E 8.03 3.99 0.00 2.15 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 2.48 0.00 139 V 7.62 3.58 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 0.81 0.00 0.00 0.95 0.00 0.00 140 T 8.40 4.09 4.47 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 1.53 0.00 0.00 141 A 8.75 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.76 4.25 0.00 4.01 4.02 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 0.00 143 L 7.85 4.50 0.00 1.67 1.77 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.63 3.86 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 0.79 0.00 0.00 1.09 0.00 0.00 145 G 7.42 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 0.00 146 A 8.72 4.03 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 0.00 147 D 8.10 4.31 0.00 2.65 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.32 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 0.00 149 G 7.98 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.29 3.52 0.00 1.99 1.89 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.73 7.81 *161 E 8.02 4.42 0.00 2.12 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 2.34 2.34 0.00 162 M 9.14 4.11 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.86 0.00 163 G 9.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 I 7.70 3.66 1.58 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 -0.16 0.87 0.00 0.00 165 Y 7.42 4.14 0.00 2.90 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 0.00 166 F 8.43 4.37 0.00 3.38 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 0.00 167 D 9.06 4.53 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Y 7.96 4.02 0.00 3.24 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.70 3.70 2.03 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 1.58 0.94 0.43 0.00 0.00 170 C 7.70 4.19 0.00 3.14 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 0.00 171 S 7.90 4.27 0.00 3.67 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 0.00 172 G 7.38 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 0.00 173 L 7.25 4.67 0.00 1.75 1.64 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 174 S 7.78 4.16 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.