NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1328 8.2649 123.5804 52.6375 19.0466 177.2943 2 T 3.1293 8.2908 119.7562 62.6988 67.9575 170.8592 3 S 4.5116 9.3677 117.1305 60.7925 64.6188 176.0661 4 T 4.5125 7.2609 116.0937 62.2012 69.5123 173.2123 5 K 4.1329 8.3405 121.5581 56.3482 32.5006 175.4856 6 K 4.5489 8.4807 120.1028 55.9170 33.3708 176.0637 7 L 4.8293 7.6996 118.6487 53.1414 44.4361 175.2769 8 H 5.1201 8.5593 118.9747 53.9043 32.0821 172.5453 9 K 4.8205 8.3775 117.7044 55.4782 35.6043 176.2321 10 E 4.8234 8.7763 123.7687 54.3354 31.9546 173.6381 11 P 4.9129 0.0000 0.0000 62.8831 32.2868 175.1982 12 A 4.9142 8.5576 123.1624 51.0295 22.9972 174.7217 13 T 4.6504 8.4015 114.5870 61.5054 72.6706 173.0701 14 L 4.5148 8.3383 124.4264 54.8876 42.7235 174.5473 15 I 4.5056 8.2419 123.9462 61.0536 39.6154 175.9104 16 K 4.2518 8.1660 119.6154 56.4101 35.5102 174.1893 17 A 4.5879 8.7878 128.5097 51.6454 19.5999 175.3152 18 I 4.3677 8.2432 117.7464 62.4621 39.7620 175.7451 19 D 5.2293 7.8387 118.9334 52.4779 43.6501 175.9627 20 G 4.1775 8.6893 107.1810 47.6494 0.0000 174.2217 21 D 4.7378 8.0794 118.1215 54.3880 43.1454 175.3474 22 T 4.6836 7.7621 116.2634 61.9976 70.4122 174.2211 23 V 4.7574 8.5549 119.7557 59.4211 36.3689 174.5461 24 K 4.9140 8.7861 126.8470 55.5575 33.6915 175.3860 25 L 5.1436 8.9738 126.0964 53.0860 46.7212 175.5022 26 M 4.7485 8.8126 122.1980 55.2802 33.1331 174.3277 27 Y 5.1324 8.7694 127.4801 56.2985 42.7987 175.3401 28 K 3.3335 8.7440 122.3704 57.0630 29.7710 175.3448 29 G 3.9274 8.5944 103.9943 45.9305 0.0000 174.2049 30 Q 4.5279 7.7819 114.7096 53.7208 31.6094 171.6313 31 P 4.8958 0.0000 0.0000 63.2019 31.9185 175.2788 32 M 4.9332 8.8517 124.0081 53.5290 36.0105 175.8661 33 T 4.6104 8.4234 118.7909 63.6309 70.8165 173.6187 34 F 4.8263 9.1078 121.4521 56.0451 41.9584 173.7674 35 R 5.3627 8.4028 124.6860 53.6404 31.5712 175.2160 36 L 4.0734 8.7330 126.1303 55.6630 42.0001 177.3518 37 L 4.0814 8.0692 123.7358 54.6668 42.9771 176.6991 38 L 3.7700 8.6989 119.7633 55.8226 39.3722 174.0572 39 V 4.8583 7.6834 115.4051 61.4448 35.3453 174.1678 40 D 5.1859 9.1297 124.2734 52.2269 45.1294 174.5363 41 T 4.9863 8.5910 113.1507 59.0222 71.4288 172.2965 42 P 4.5687 0.0000 0.0000 62.6262 32.4275 175.8809 43 E 4.2517 8.7350 121.3666 56.6722 30.1757 176.7580 44 T 4.6202 8.4311 110.9023 61.3176 69.1746 174.6376 45 K 4.5248 7.8338 120.1041 57.0059 34.4898 176.8912 46 H 4.2848 8.5956 116.0475 58.0608 28.6846 173.7023 47 P 4.6449 0.0000 0.0000 61.9014 31.9449 175.7642 48 K 4.3683 8.4763 119.3398 56.8649 33.2207 177.4772 49 K 4.3536 8.0544 117.7197 55.9800 31.9988 176.1147 50 G 4.0124 7.6269 107.3351 45.7090 0.0000 174.0945 51 V 3.7366 8.1373 122.5765 62.6088 31.9337 175.5866 52 E 4.3639 8.5765 125.6828 56.4630 30.5139 176.4664 53 K 3.4526 7.3328 118.3137 57.2220 32.4753 177.4620 54 Y 4.9040 7.4406 116.8758 57.4858 39.4865 175.0302 55 G 3.8172 7.3535 111.1776 46.8497 0.0000 170.7424 56 P 4.6346 0.0000 0.0000 61.1843 30.8205 174.3645 57 E 4.4502 7.8369 121.9667 58.1050 32.3131 177.4625 58 A 4.1065 7.9284 119.9028 55.0430 18.4292 179.3911 59 S 4.0972 8.0809 111.2989 61.3972 62.5863 176.0679 60 A 4.0390 7.9663 123.2199 54.9918 18.2919 179.1064 61 F 4.1474 8.4713 118.8394 61.0192 39.4914 177.7292 62 T 3.9001 7.8556 115.8219 66.3918 68.4258 176.7072 63 K 4.0246 8.0171 121.2348 58.7705 32.2565 179.1026 64 K 3.9239 7.9294 119.1413 59.4240 32.1163 178.9249 65 M 3.8225 7.5652 118.2464 58.0255 31.7623 178.4164 66 V 3.7381 7.1897 111.3096 63.6880 32.0613 177.9477 67 E 4.0933 8.0174 117.6890 58.6871 29.3394 178.5274 68 N 4.7481 7.7518 115.2877 54.5845 39.5891 174.3737 69 A 4.9603 7.3351 125.9876 51.4301 17.8517 177.1842 70 K 4.0695 8.5011 121.3348 59.6454 32.7883 178.1254 71 K 4.3670 7.7661 119.3325 55.0339 32.1108 174.0431 72 I 4.6589 7.9132 124.1809 59.7499 39.0614 174.1630 73 E 5.1280 8.8091 126.3993 54.5294 33.0842 175.6797 74 V 4.7764 8.3157 115.0621 59.5815 35.8159 174.7926 75 E 4.5803 8.8010 123.9484 54.4225 32.2561 174.5934 76 F 4.5285 8.9824 126.1473 57.3506 39.7025 175.3125 77 D 4.9098 8.9149 121.9230 53.1025 42.1294 177.2339 78 K 4.0367 8.8445 122.4402 59.3607 32.7692 178.3338 79 G 3.8955 7.4213 107.7251 45.1980 0.0000 172.1437 80 Q 4.2432 8.5680 119.0948 56.3333 29.3633 175.7496 81 R 4.5470 8.5819 115.7158 57.1687 32.2205 175.4793 82 T 5.6846 7.4696 105.2358 58.3685 71.7593 174.7282 83 D 4.6667 8.4597 124.7017 54.2677 42.1018 175.4584 84 K 4.2376 8.7445 114.9108 58.1253 32.6471 176.8374 85 Y 4.1966 8.2641 114.8044 57.3735 38.1806 175.5396 86 G 3.8072 8.1857 107.2937 46.3512 0.0000 173.5810 87 R 4.3362 7.8973 117.7389 54.4642 32.6947 176.7635 88 G 3.8714 8.2736 111.0201 45.4783 0.0000 172.0922 89 L 4.2860 8.6612 126.5581 55.2229 41.9700 175.8857 90 A 4.0735 7.6020 126.2698 51.5017 23.2985 173.7834 91 Y 4.7968 8.0500 112.6718 56.5266 41.2943 175.6753 92 I 4.4845 7.8054 122.6880 60.1487 40.5932 174.7727 93 Y 5.5914 8.7697 121.1892 55.1613 40.8410 173.6212 94 A 4.4010 8.4568 126.4551 51.0145 20.3335 176.8849 95 D 4.3735 9.3319 123.8043 56.0000 38.7743 175.8410 96 G 3.8328 8.5220 104.0230 45.8389 0.0000 173.8460 97 K 4.5274 7.7573 119.6894 54.2579 34.0661 175.3507 98 M 3.9596 8.5959 122.4264 55.3741 32.0193 176.4436 99 V 3.6340 8.1239 127.1846 66.3395 31.7242 177.4669 100 N 4.3272 7.9255 115.2267 56.3314 38.6926 176.7134 101 E 4.0646 8.0159 119.0570 57.9937 29.7606 178.3184 102 A 4.0291 7.8242 120.9895 55.3493 19.1057 179.5346 103 L 3.5747 7.7869 117.3484 57.4810 41.6302 180.0264 104 V 3.9216 7.6074 119.6580 65.1142 31.4388 177.7375 105 R 4.2821 7.6795 115.5161 58.0992 30.0632 177.2679 106 Q 4.2757 7.7305 116.0395 56.0085 29.2516 175.7788 107 G 3.8250 8.0414 108.0425 46.5712 0.0000 174.2532 108 L 4.6086 7.5781 116.2000 53.6859 42.9477 176.5699 109 A 4.6967 7.6157 119.4365 50.8706 22.7090 175.6462 110 K 4.6471 8.4171 119.4652 54.1513 35.5657 176.0980 111 V 4.1523 8.3884 122.5426 63.1732 31.7341 175.8235 112 A 5.1118 8.3133 129.4762 51.1674 19.2313 176.4403 113 Y 3.6765 8.7411 116.3645 58.5647 38.5198 176.7977 114 V 4.2057 7.9364 122.3133 61.4458 32.5620 174.7591 115 Y 4.6718 8.3837 124.3823 55.7376 40.5662 175.7104 116 K 4.2526 8.8320 124.6073 56.0775 32.6931 175.3784 117 P 4.4470 0.0000 0.0000 64.0227 31.8092 175.7265 118 N 4.7116 8.0075 116.6692 54.4739 37.2360 174.8055 119 N 4.8195 8.0404 123.2815 52.5053 39.2375 176.4862 120 T 4.0529 7.9203 114.4875 65.7439 69.6811 175.3888 121 H 4.4508 7.5198 121.0593 55.6268 28.6420 176.3268 122 E 4.2019 7.6234 122.8789 58.8444 30.3406 176.5589 123 Q 3.9849 8.0177 117.4238 59.1747 28.8993 179.1932 124 L 3.9653 7.8106 120.6237 58.1693 42.2535 178.8984 125 L 4.0845 8.0050 118.7390 57.4096 41.6061 179.3971 126 R 3.9232 7.7771 118.6434 59.0083 30.0683 178.5199 127 K 3.9653 7.9201 118.0516 59.4860 32.0796 179.5538 128 S 4.0982 7.8909 114.9966 61.5524 62.8504 176.3578 129 E 3.9442 8.2094 121.8365 59.2012 29.3495 178.7817 130 A 3.8060 7.8233 120.4959 54.7335 18.4122 179.4599 131 Q 3.7946 7.9184 118.0082 59.3552 29.3282 178.2205 132 A 4.0824 7.8802 121.7778 55.3196 18.2283 179.7234 133 K 3.4140 7.3179 115.2372 58.3767 32.0774 178.7310 134 K 4.1439 7.6958 118.2379 57.3890 32.3995 177.1695 135 E 4.4349 7.7666 116.2251 55.0798 31.6830 175.1497 136 K 4.4629 7.7135 116.0732 56.7743 29.7188 176.1313 137 L 4.4859 7.8324 118.9553 54.2782 45.0156 178.2961 138 N 4.4710 9.5874 122.0376 52.9989 37.2847 176.5275 139 I 3.7107 5.4200 115.2288 64.4119 38.3173 177.8542 140 W 4.8085 7.4088 118.6735 57.7562 29.4473 176.3027 141 S 4.7285 7.7677 116.0959 57.3185 60.3676 173.2757 142 E 4.5401 7.7699 119.9570 57.0425 31.8109 177.3359 143 D 4.3962 8.2017 118.4237 55.0345 41.3494 175.2453 144 N 4.6172 8.9440 122.1822 55.1691 39.9788 174.7437 145 A 4.5259 7.7950 116.1187 53.8390 22.8032 177.2043 146 D 4.4077 7.9417 112.1560 55.9653 38.9992 175.1392 147 S 4.5799 7.7841 111.8414 55.0736 61.7822 173.1509 148 G 4.2219 7.5733 113.7941 45.8035 0.0000 171.9971 149 Q 4.1469 7.8922 123.4784 55.3811 28.6979 176.5460 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 A 8.26 4.13 1.27 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 0.00 0.00 2 T 8.29 3.13 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 1.21 0.00 0.00 3 S 9.37 4.51 0.00 3.97 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 4 T 7.26 4.51 4.24 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 1.21 0.00 0.00 5 K 8.34 4.13 0.00 1.84 1.75 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.41 7.81 6 K 8.48 4.55 0.00 1.75 1.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.42 7.81 7 L 7.70 4.83 0.00 1.59 1.71 0.98 1.11 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 8 H 8.56 5.12 0.00 3.12 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.38 4.82 0.00 1.51 1.57 0.00 1.31 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.19 1.31 7.81 10 E 8.78 4.82 0.00 2.08 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 0.00 2.44 2.74 0.00 11 P 0.00 4.91 0.00 2.13 2.09 0.00 3.89 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 2.07 2.02 0.00 12 A 8.56 4.91 1.17 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 0.00 0.00 13 T 8.40 4.65 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 14 L 8.34 4.51 0.00 1.60 1.53 0.94 0.96 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 15 I 8.24 4.51 2.00 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 1.44 0.86 0.95 0.00 0.00 16 K 8.17 4.25 0.00 1.83 1.90 0.00 1.32 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.36 7.81 17 A 8.79 4.59 1.26 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 0.00 0.00 18 I 8.24 4.37 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.92 0.00 0.00 19 D 7.84 5.23 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.69 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.08 4.74 0.00 2.77 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 22 T 7.76 4.68 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 23 V 8.55 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 0.75 0.00 0.00 1.05 0.00 0.00 24 K 8.79 4.91 0.00 2.00 1.82 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.69 7.81 25 L 8.97 5.14 0.00 1.26 1.46 0.29 0.61 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 26 M 8.81 4.75 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 27 Y 8.77 5.13 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.74 3.33 0.00 1.66 1.63 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.34 0.21 7.81 29 G 8.59 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 30 Q 7.78 4.53 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 31 P 0.00 4.90 0.00 2.15 2.19 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 32 M 8.85 4.93 0.00 1.84 2.21 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 33 T 8.42 4.61 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 1.26 0.00 0.00 34 F 9.11 4.83 0.00 3.15 2.87 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 35 R 8.40 5.36 0.00 1.90 1.78 0.00 3.13 0.00 0.00 3.24 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 36 L 8.73 4.07 0.00 1.56 1.64 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.07 4.08 0.00 1.01 1.16 0.79 0.80 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 38 L 8.70 3.77 0.00 2.04 1.83 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.68 4.86 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 1.02 0.00 0.00 40 D 9.13 5.19 0.00 2.84 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 4.99 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 1.32 0.00 0.00 42 P 0.00 4.57 0.00 2.11 2.08 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 43 E 8.73 4.25 0.00 1.97 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 2.24 2.32 0.00 44 T 8.43 4.62 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 1.29 0.00 0.00 45 K 7.83 4.52 0.00 1.69 1.83 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.40 7.81 46 H 8.60 4.28 0.00 3.15 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.64 0.00 2.16 2.03 0.00 3.73 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 1.95 1.97 0.00 48 K 8.48 4.37 0.00 1.87 1.87 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.49 7.81 49 K 8.05 4.35 0.00 1.73 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 50 G 7.63 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 51 V 8.14 3.74 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 0.79 0.00 0.00 0.92 0.00 0.00 52 E 8.58 4.36 0.00 1.89 1.88 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 2.32 2.20 0.00 53 K 7.33 3.45 0.00 1.54 1.27 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.29 7.81 54 Y 7.44 4.90 0.00 2.96 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 55 G 7.35 3.82 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 0.00 0.00 0.00 56 P 0.00 4.63 0.00 2.22 2.12 0.00 3.73 0.00 0.00 3.59 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 57 E 7.84 4.45 0.00 2.10 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 2.25 2.34 0.00 58 A 7.93 4.11 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 59 S 8.08 4.10 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.97 4.04 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 61 F 8.47 4.15 0.00 3.14 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 62 T 7.86 3.90 4.42 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 1.22 0.00 0.00 63 K 8.02 4.02 0.00 1.96 1.77 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 64 K 7.93 3.92 0.00 1.96 1.69 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.40 7.81 65 M 7.57 3.82 0.00 1.57 0.86 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 66 V 7.19 3.74 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 0.73 0.00 0.00 0.90 0.00 0.00 67 E 8.02 4.09 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 2.31 2.50 0.00 68 N 7.75 4.75 0.00 2.65 2.82 0.00 0.00 6.91 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 69 A 7.34 4.96 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 70 K 8.50 4.07 0.00 1.75 1.88 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.45 7.81 71 K 7.77 4.37 0.00 1.71 1.76 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 72 I 7.91 4.66 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 1.29 1.11 0.81 0.00 0.00 73 E 8.81 5.13 0.00 1.94 1.79 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 2.21 2.25 0.00 74 V 8.32 4.78 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.43 0.00 0.00 75 E 8.80 4.58 0.00 2.12 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 0.00 2.35 2.60 0.00 76 F 8.98 4.53 0.00 3.12 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 77 D 8.91 4.91 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.84 4.04 0.00 1.96 2.02 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.53 7.81 79 G 7.42 3.90 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 0.00 0.00 0.00 80 Q 8.57 4.24 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 81 R 8.58 4.55 0.00 1.66 1.71 0.00 2.80 0.00 0.00 2.66 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.71 0.00 82 T 7.47 5.68 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 1.14 0.00 0.00 83 D 8.46 4.67 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.74 4.24 0.00 1.93 1.83 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 85 Y 8.26 4.20 0.00 2.89 3.05 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 86 G 8.19 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 87 R 7.90 4.34 0.00 1.74 1.83 0.00 3.31 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 88 G 8.27 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 0.00 0.00 0.00 89 L 8.66 4.29 0.00 1.64 1.67 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.60 4.07 0.53 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 91 Y 8.05 4.80 0.00 2.94 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.48 1.73 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.18 0.76 0.00 0.00 93 Y 8.77 5.59 0.00 3.01 2.85 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 94 A 8.46 4.40 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 95 D 9.33 4.37 0.00 2.94 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 G 8.52 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 0.00 0.00 0.00 97 K 7.76 4.53 0.00 1.97 1.77 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.52 7.81 98 M 8.60 3.96 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 99 V 8.12 3.63 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 1.13 0.00 0.00 0.90 0.00 0.00 100 N 7.93 4.33 0.00 2.85 2.89 0.00 0.00 7.06 7.63 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 0.00 101 E 8.02 4.06 0.00 1.98 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 2.36 2.36 0.00 102 A 7.82 4.03 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 0.00 103 L 7.79 3.57 0.00 1.68 1.64 1.05 0.73 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 0.00 104 V 7.61 3.92 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 1.24 0.00 0.00 0.97 0.00 0.00 105 R 7.68 4.28 0.00 1.94 1.92 0.00 3.29 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 106 Q 7.73 4.28 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 5.97 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 107 G 8.04 3.82 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 0.00 0.00 0.00 108 L 7.58 4.61 0.00 1.31 1.49 0.64 0.27 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 0.00 109 A 7.62 4.70 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 0.00 110 K 8.42 4.65 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.60 1.46 7.81 111 V 8.39 4.15 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 0.78 0.00 0.00 1.03 0.00 0.00 112 A 8.31 5.11 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 0.00 113 Y 8.74 3.68 0.00 3.16 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 0.00 114 V 7.94 4.21 1.95 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 0.84 0.00 0.00 0.88 0.00 0.00 115 Y 8.38 4.67 0.00 3.09 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 0.00 116 K 8.83 4.25 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 117 P 0.00 4.45 0.00 2.24 2.21 0.00 3.85 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 2.04 2.03 0.00 118 N 8.01 4.71 0.00 3.00 3.00 0.00 0.00 6.77 8.07 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 0.00 119 N 8.04 4.82 0.00 2.77 2.75 0.00 0.00 7.21 7.58 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 0.00 120 T 7.92 4.05 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 1.15 0.00 0.00 121 H 7.52 4.45 0.00 2.71 3.13 0.00 5.69 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.62 4.20 0.00 2.14 1.88 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 2.35 2.53 0.00 123 Q 8.02 3.98 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 124 L 7.81 3.97 0.00 1.75 1.67 0.94 0.78 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 0.00 125 L 8.01 4.08 0.00 1.90 1.71 1.07 0.61 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 0.00 126 R 7.78 3.92 0.00 1.88 1.87 0.00 3.19 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 127 K 7.92 3.97 0.00 1.95 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 128 S 7.89 4.10 0.00 3.87 3.90 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 0.00 129 E 8.21 3.94 0.00 2.09 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 2.13 2.26 0.00 130 A 7.82 3.81 1.31 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 0.00 0.00 0.00 131 Q 7.92 3.79 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 132 A 7.88 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.32 3.41 0.00 1.39 1.28 0.00 0.77 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.30 0.47 7.81 134 K 7.70 4.14 0.00 1.75 1.88 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.48 7.81 135 E 7.77 4.43 0.00 2.01 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 2.25 2.61 0.00 136 K 7.71 4.46 0.00 2.00 2.05 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.40 7.81 137 L 7.83 4.49 0.00 1.81 1.69 0.93 0.67 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 0.00 138 N 9.59 4.47 0.00 2.40 1.42 0.00 0.00 7.13 7.27 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 0.00 139 I 5.42 3.71 1.06 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.36 0.77 0.00 0.00 140 W 7.41 4.81 0.00 3.51 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 7.77 4.73 0.00 4.10 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 0.00 142 E 7.77 4.54 0.00 2.05 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 2.26 2.51 0.00 143 D 8.20 4.40 0.00 2.70 2.66 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 0.00 144 N 8.94 4.62 0.00 2.68 2.83 0.00 0.00 6.89 7.97 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 0.00 145 A 7.79 4.53 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 0.00 146 D 7.94 4.41 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.78 4.58 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.57 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 0.00 0.00 0.00 0.00 149 Q 7.89 4.15 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00