NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4903 8.2493 122.4669 51.2109 18.8113 175.9035 3 P 4.3899 0.0000 0.0000 61.6933 32.4646 175.8967 4 K 4.1791 9.0666 122.8357 59.5816 33.6419 178.6507 5 A 4.5610 7.5437 116.8993 51.0736 22.5959 175.2027 6 V 5.3622 8.4333 121.9512 60.4121 34.3165 174.1864 7 L 5.2013 8.5103 127.4275 53.2825 43.8795 175.8260 8 V 4.6204 10.0251 116.8994 58.9802 35.9732 176.4228 9 G 3.0764 7.6182 109.1218 44.2310 0.0000 172.1046 10 L 4.3203 7.6151 119.6071 53.1805 42.3160 174.8479 11 P 4.3708 0.0000 0.0000 64.8429 29.7491 177.0578 12 G 4.0422 9.0458 108.9637 45.6972 0.0000 175.1678 13 S 4.1378 8.0186 114.1764 59.8167 63.0094 175.0844 14 G 4.1145 7.6776 109.2341 45.6279 0.0000 176.0566 15 K 4.0586 8.3089 122.2856 59.3051 32.7136 178.2790 16 S 4.1993 7.9138 114.8806 61.3940 63.5967 175.9447 17 T 3.8576 7.9560 119.1871 66.8346 68.1442 176.2746 18 I 3.9956 9.1037 122.0216 63.8668 37.1189 178.7761 19 G 3.5974 8.0761 106.9756 47.7715 0.0000 175.8109 20 R 4.0318 8.1484 121.1676 59.2177 30.1367 178.8854 21 R 3.9802 7.9572 117.6994 59.0487 29.9564 178.7050 22 L 4.0375 8.3890 119.9671 57.1047 41.7178 178.0638 23 A 4.4074 7.5747 118.4990 52.8660 19.9820 178.3303 24 K 3.8148 7.7029 117.2616 59.9806 32.2826 178.0685 25 A 4.3359 7.9467 117.8088 52.8703 18.8362 177.5599 26 L 4.4657 7.3336 117.6351 58.5311 42.7073 179.4060 27 G 3.7145 7.1034 103.4933 45.4792 0.0000 174.8161 28 V 4.5710 9.1376 117.3267 59.5558 36.3042 176.2887 29 G 3.9806 8.5638 108.8107 46.0486 0.0000 172.2091 30 L 4.9783 8.3829 121.9948 52.9551 44.8108 175.2405 31 L 4.5229 8.6780 127.1494 53.3048 44.6105 174.6975 32 D 5.1209 8.8265 127.3290 52.4221 41.6872 176.9654 33 T 4.1344 8.5538 118.4173 64.7743 68.6271 176.1923 34 D 4.3969 7.9030 121.2437 57.3910 40.9781 178.5967 35 V 3.6242 7.9216 118.0036 66.1426 31.3140 177.7480 36 A 4.0272 8.5119 120.8129 54.9518 18.1569 179.7401 37 I 3.5597 8.1855 119.0514 64.5005 37.0384 178.4750 38 E 4.5662 8.0972 120.6349 59.0316 29.0611 179.4856 39 Q 4.0087 7.9647 117.2815 58.9119 28.8882 178.3819 40 R 4.0443 8.4597 119.7575 59.4212 30.2704 178.1320 41 T 4.1882 7.9170 108.1349 62.6349 69.2582 175.3216 42 G 4.0873 8.2959 109.6908 44.9230 0.0000 173.1133 43 R 4.6945 7.9812 114.8677 53.3079 32.5804 174.7860 44 S 5.0185 8.4418 114.0320 57.7768 65.9738 174.6325 45 I 4.1262 8.4708 121.2669 64.2959 36.7762 178.4679 46 A 3.8777 7.9114 121.2647 55.3522 18.1584 179.3347 47 D 4.4148 8.0708 116.8225 57.1678 40.8016 178.9652 48 I 4.0432 7.8967 120.6706 63.8172 37.2075 178.0540 49 F 4.0190 8.5704 118.0655 60.8001 38.6340 177.2366 50 A 4.0971 8.2087 119.0049 55.0520 18.1059 178.7943 51 T 4.4613 7.5458 110.6805 64.0729 70.4150 175.0737 52 D 4.6309 8.0289 117.6777 52.5958 43.5261 176.8317 53 G 3.8688 7.7893 107.3284 44.8388 0.0000 173.8869 54 E 3.3586 8.5309 117.1596 59.2462 29.3018 179.1683 55 Q 4.0212 8.0726 116.9482 59.8881 28.3183 178.9317 56 E 3.9008 8.0681 121.2588 58.2717 29.7021 178.3542 57 F 3.9826 7.9540 120.8403 61.3358 39.3253 177.1440 58 R 3.9079 8.8429 118.3608 59.4940 29.4956 179.0248 59 R 3.8372 7.9563 118.3066 59.2636 30.0574 178.6605 60 I 3.7342 7.5172 119.8300 63.8892 37.0383 177.7862 61 E 3.5757 8.1300 120.5245 59.5314 29.4056 178.1954 62 E 3.7200 8.1471 119.1077 59.6473 29.5177 178.2758 63 D 4.2920 7.7632 116.2426 57.6740 41.2080 178.8793 64 V 3.5937 7.8482 118.5774 65.2226 31.4206 177.7486 65 V 3.9670 7.7269 118.2635 63.3413 31.7268 178.4325 66 R 3.9834 8.5208 118.6281 58.6958 29.9661 178.6419 67 A 4.0717 7.8052 120.7925 55.0673 18.5084 179.1621 68 A 4.0123 7.6768 119.0728 55.5092 18.1801 179.8187 69 L 4.2070 7.9875 111.7503 55.8055 41.3245 177.6652 70 A 4.5729 8.4180 121.8607 52.8974 21.5149 177.2961 71 D 4.8892 8.1682 110.6289 52.8170 40.4450 174.4320 72 H 4.9596 8.3683 119.0931 54.8384 31.8706 173.2514 73 D 4.9196 8.1686 123.5250 53.9082 43.5217 179.0342 74 G 4.2272 7.6005 104.0744 45.8200 0.0000 173.2857 75 V 4.9148 8.8496 123.7200 60.8503 35.0016 174.4051 76 L 5.1777 8.7155 128.1401 53.3962 45.4351 174.8038 77 S 5.0720 8.6256 121.1818 56.5893 65.1163 172.7656 78 L 4.5415 8.7873 127.9738 53.1553 43.4434 176.3901 79 G 3.7013 9.1753 113.9817 47.7087 0.0000 175.7915 80 G 4.1687 8.0409 114.8133 47.9526 0.0000 175.3231 81 G 4.1544 8.2010 108.2005 44.9285 0.0000 174.8274 82 A 4.6125 8.1211 125.4418 53.6000 18.8737 181.2343 83 V 3.7512 7.8775 108.3640 64.1392 31.7935 177.6089 84 T 3.8707 7.4979 109.5192 64.2281 69.0533 175.2637 85 S 4.1551 8.0520 119.1996 57.7083 63.1364 172.8376 86 P 4.3410 0.0000 0.0000 66.0939 30.6626 178.3642 87 G 4.1909 8.0327 106.0816 47.3298 0.0000 175.3710 88 V 3.5957 7.8225 120.0937 65.6799 31.5345 178.1800 89 R 3.8444 7.9497 117.6789 59.1764 29.8949 178.5466 90 A 4.1449 7.6780 120.2224 55.0207 18.6350 179.5044 91 A 4.1195 7.8571 117.3228 54.8032 18.4532 179.3825 92 L 4.1871 7.9594 117.2333 55.9233 41.3632 176.5426 93 A 3.9860 7.1450 120.8849 54.4059 18.0535 177.6956 94 G 3.9656 8.9414 111.5843 45.9248 0.0000 172.7954 95 H 4.3543 7.4083 115.0107 55.8312 29.3906 176.0129 96 T 4.2162 8.2932 118.2782 63.3187 68.5018 173.2458 97 V 4.4887 8.4922 126.9975 61.4034 32.9089 174.4977 98 V 4.5693 9.0447 129.6806 61.9678 33.2015 173.8458 99 Y 5.1225 9.3246 129.2972 55.9207 41.2056 174.5773 100 L 4.5635 8.8983 128.1856 53.8963 41.2944 176.5394 101 E 4.0410 8.7449 123.1781 55.9086 31.6560 175.8622 102 I 4.4173 7.7894 118.3481 60.3571 40.6900 174.8278 103 S 4.3681 8.5215 125.3250 58.3398 63.7940 174.1797 104 A 3.9930 8.5267 120.4037 55.3061 18.2628 179.3891 105 A 3.8007 7.8182 118.3087 55.2397 18.2334 179.2281 106 E 3.9233 7.6867 116.8034 59.3499 30.0143 179.0788 107 G 4.1717 7.4782 106.7244 47.2303 0.0000 175.5577 108 V 3.1788 6.5515 121.0561 66.0385 31.2206 178.3868 109 R 3.9730 7.2241 115.2222 58.2503 30.0978 177.9756 110 R 4.4457 7.6891 116.6126 56.0035 31.1512 176.5527 111 T 4.4848 7.4253 108.8192 60.2548 68.1865 173.2790 112 G 3.9843 8.2317 117.6752 47.1482 0.0000 173.5107 113 G 3.7879 8.4393 110.3517 50.8331 0.0000 175.1701 114 N 3.5836 8.7015 116.0944 61.1900 35.5246 177.8949 *115 T 3.7663 7.3561 106.7152 62.0012 69.2826 176.1932 116 V 3.2263 7.8414 124.5454 62.6394 30.2521 172.6806 117 R 3.4699 8.8553 118.9146 56.5162 27.6335 174.8530 118 P 4.0542 0.0000 0.0000 64.9884 31.6996 178.4682 119 L 3.9983 7.3367 116.6498 56.8753 41.6193 177.6284 120 L 4.3046 7.5282 115.3865 54.2786 42.4842 175.4165 121 A 3.7969 7.3400 122.1395 51.6419 17.2379 177.9608 122 G 3.7973 9.0744 107.9896 47.7758 0.0000 172.8619 123 P 4.0563 0.0000 0.0000 65.0574 31.7305 175.2169 124 D 4.4948 7.2736 111.3246 52.9587 42.5606 175.7777 125 R 4.1085 8.0453 124.5512 58.7629 30.6782 177.3042 126 A 4.0370 8.0518 120.0431 55.2667 18.5107 178.9170 127 E 3.8421 8.1829 117.4497 59.6320 29.8755 179.4507 128 K 4.0222 8.1300 118.2398 59.3638 32.2429 178.7406 129 Y 3.5545 8.0012 119.2354 60.8639 38.9087 178.2446 130 R 4.1899 8.4522 118.6945 59.1866 30.2557 178.5886 131 A 4.2053 7.9617 119.2403 53.8362 18.4421 178.8753 132 L 4.0527 7.5994 118.6313 57.2426 42.2359 178.2584 133 M 3.9871 9.4551 118.1675 58.6282 31.9885 177.8712 134 A 3.9947 7.7288 119.3566 55.3976 18.6333 179.5753 135 K 4.0576 7.8429 114.7702 58.5062 32.3732 178.7707 136 R 4.1538 7.5400 116.6779 56.5298 31.5142 178.1211 137 A 4.2266 8.1456 121.0827 54.4942 17.8482 177.7964 138 P 4.1869 0.0000 0.0000 65.8157 31.3045 178.7582 139 L 3.9914 7.4725 117.0874 57.4667 41.4263 178.9197 140 Y 3.9643 7.3407 117.0170 60.7939 37.5488 177.8769 141 R 4.1378 8.0580 118.3723 59.3699 30.1790 178.8530 142 R 4.0591 7.3876 116.5298 59.3581 30.3669 178.3490 143 V 3.9850 7.3421 108.6384 60.8741 32.0587 175.7434 144 A 4.7390 7.1599 123.2261 50.6453 19.8238 177.5766 145 T 4.1556 8.5623 113.8999 64.8379 69.6464 174.5824 146 M 4.8426 8.0205 120.1951 54.3012 37.1687 174.0727 147 R 4.9877 8.5997 121.2609 54.4599 34.1610 175.0509 148 V 4.1422 8.0825 123.3051 61.0443 34.8192 173.5563 149 D 4.6683 8.7303 129.1097 54.7053 41.3587 175.6933 150 T 4.2615 8.6142 115.9811 62.0070 69.1924 175.9070 151 N 4.3982 9.9205 121.4457 56.5595 38.7133 176.4906 152 R 4.2596 7.6556 115.1496 57.2413 31.0612 177.4350 153 R 4.2455 7.7179 116.3641 55.6458 31.1652 175.6499 154 N 5.0535 8.1572 116.9907 50.3508 41.1890 173.9333 155 P 4.2850 0.0000 0.0000 66.2875 31.4138 178.7359 156 G 3.8929 8.1801 102.8863 48.4372 0.0000 175.0618 157 A 4.0214 9.0909 123.7604 54.5421 18.4426 179.8355 158 V 3.6070 7.7206 116.5026 65.5982 31.3686 178.6007 159 V 3.5976 7.7867 117.7064 66.1231 31.7148 177.8895 160 R 3.9979 8.4454 118.3133 59.1923 29.8655 178.1869 161 H 3.9458 8.6652 118.1097 59.9237 29.6950 177.2842 162 I 3.9013 7.7071 119.7408 63.9540 36.9314 177.8654 163 L 4.1094 8.1547 121.3495 57.8605 42.0237 178.9446 164 S 4.2540 7.9292 114.6841 61.6955 62.8028 176.4534 165 R 4.1761 7.4557 117.4553 57.7238 29.7884 176.8618 166 L 4.2195 7.3833 122.7271 54.9079 41.7437 176.4859 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 2 A 8.25 4.49 1.25 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 0.00 0.00 0.00 3 P 0.00 4.39 0.00 2.34 2.23 0.00 3.96 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 4 K 9.07 4.18 0.00 1.92 1.94 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.56 7.81 5 A 7.54 4.56 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.43 5.36 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 1.11 0.00 0.00 0.93 0.00 0.00 7 L 8.51 5.20 0.00 1.63 1.56 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 V 10.03 4.62 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 0.76 0.00 0.00 0.84 0.00 0.00 9 G 7.62 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 0.00 0.00 0.00 10 L 7.62 4.32 0.00 1.84 1.59 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.37 0.00 2.22 2.08 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 12 G 9.05 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 13 S 8.02 4.14 0.00 4.10 4.08 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 14 G 7.68 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.31 4.06 0.00 2.00 2.07 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.50 7.81 16 S 7.91 4.20 0.00 4.00 4.74 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 17 T 7.96 3.86 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 18 I 9.10 4.00 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.97 0.92 0.00 0.00 19 G 8.08 3.60 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 0.00 0.00 0.00 20 R 8.15 4.03 0.00 1.91 1.94 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 21 R 7.96 3.98 0.00 1.94 1.96 0.00 3.18 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 22 L 8.39 4.04 0.00 1.75 1.76 0.94 1.32 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 23 A 7.57 4.41 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 24 K 7.70 3.81 0.00 1.93 1.99 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.55 7.81 25 A 7.95 4.34 1.40 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 0.00 0.00 0.00 26 L 7.33 4.47 0.00 1.60 1.66 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.10 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.14 4.57 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 0.77 0.00 0.00 0.98 0.00 0.00 29 G 8.56 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 30 L 8.38 4.98 0.00 1.64 1.55 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.68 4.52 0.00 1.30 1.15 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.83 5.12 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.55 4.13 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 1.25 0.00 0.00 34 D 7.90 4.40 0.00 2.90 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 35 V 7.92 3.62 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 1.06 0.00 0.00 0.95 0.00 0.00 36 A 8.51 4.03 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 37 I 8.19 3.56 2.06 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.95 0.00 0.00 38 E 8.10 4.57 0.00 2.24 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 0.00 2.46 2.45 0.00 39 Q 7.96 4.01 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 40 R 8.46 4.04 0.00 1.80 2.02 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 41 T 7.92 4.19 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 1.27 0.00 0.00 42 G 8.30 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.98 4.69 0.00 2.00 2.03 0.00 2.80 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 44 S 8.44 5.02 0.00 4.18 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 45 I 8.47 4.13 1.93 0.00 0.00 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 1.80 0.66 0.93 0.00 0.00 46 A 7.91 3.88 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 47 D 8.07 4.41 0.00 2.74 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 48 I 7.90 4.04 2.25 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 1.62 0.97 1.05 0.00 0.00 49 F 8.57 4.02 0.00 3.00 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 50 A 8.21 4.10 1.40 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 0.00 0.00 0.00 51 T 7.55 4.46 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 52 D 8.03 4.63 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.79 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 54 E 8.53 3.36 0.00 1.97 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 0.00 2.51 2.43 0.00 55 Q 8.07 4.02 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 56 E 8.07 3.90 0.00 2.07 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 0.00 2.36 2.40 0.00 57 F 7.95 3.98 0.00 2.57 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 58 R 8.84 3.91 0.00 2.00 1.98 0.00 3.42 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 59 R 7.96 3.84 0.00 2.06 1.93 0.00 3.21 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 60 I 7.52 3.73 1.65 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 1.33 0.25 0.76 0.00 0.00 61 E 8.13 3.58 0.00 1.34 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 2.18 2.06 0.00 62 E 8.15 3.72 0.00 2.08 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 0.00 2.28 2.33 0.00 63 D 7.76 4.29 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.85 3.59 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 0.95 0.00 0.00 0.90 0.00 0.00 65 V 7.73 3.97 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 0.94 0.00 0.00 0.90 0.00 0.00 66 R 8.52 3.98 0.00 1.83 2.03 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 67 A 7.81 4.07 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 68 A 7.68 4.01 1.35 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 69 L 7.99 4.21 0.00 1.57 1.69 0.88 0.14 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 70 A 8.42 4.57 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 71 D 8.17 4.89 0.00 2.75 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 72 H 8.37 4.96 0.00 3.09 3.35 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.17 4.92 0.00 2.47 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 74 G 7.60 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 0.00 0.00 0.00 0.00 75 V 8.85 4.91 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 0.99 0.00 0.00 0.96 0.00 0.00 76 L 8.72 5.18 0.00 1.79 1.45 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.63 5.07 0.00 3.99 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 78 L 8.79 4.54 0.00 1.64 1.72 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 79 G 9.18 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.04 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 0.00 0.00 0.00 0.00 81 G 8.20 4.15 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 0.00 82 A 8.12 4.61 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.88 3.75 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 0.83 0.00 0.00 0.65 0.00 0.00 84 T 7.50 3.87 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 1.16 0.00 0.00 85 S 8.05 4.16 0.00 3.91 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 86 P 0.00 4.34 0.00 2.24 2.31 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 87 G 8.03 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 0.00 0.00 0.00 0.00 88 V 7.82 3.60 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 1.05 0.00 0.00 0.91 0.00 0.00 89 R 7.95 3.84 0.00 1.96 1.99 0.00 3.17 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 90 A 7.68 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.86 4.12 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 92 L 7.96 4.19 0.00 1.91 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.14 3.99 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 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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 1.39 0.84 1.02 0.00 0.00 103 S 8.52 4.37 0.00 3.99 4.16 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 0.00 0.00 0.00 104 A 8.53 3.99 1.35 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 0.00 105 A 7.82 3.80 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 0.00 106 E 7.69 3.92 0.00 1.88 1.96 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 2.30 2.35 0.00 107 G 7.48 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 0.00 0.00 0.00 0.00 108 V 6.55 3.18 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 0.89 0.00 0.00 0.12 0.00 0.00 109 R 7.22 3.97 0.00 1.76 1.93 0.00 3.38 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 110 R 7.69 4.45 0.00 2.13 1.93 0.00 3.40 0.00 0.00 3.27 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0.00 0.00 0.00 0.00 1.00 1.70 0.00 119 L 7.34 4.00 0.00 1.49 1.66 0.89 1.07 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 0.00 120 L 7.53 4.30 0.00 1.58 1.71 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.34 3.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 9.07 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 0.00 0.00 0.00 123 P 0.00 4.06 0.00 2.09 2.06 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 124 D 7.27 4.49 0.00 2.55 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 0.00 125 R 8.05 4.11 0.00 1.93 1.90 0.00 3.25 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 126 A 8.05 4.04 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 0.00 127 E 8.18 3.84 0.00 2.11 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 0.00 2.40 2.53 0.00 128 K 8.13 4.02 0.00 2.07 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 129 Y 8.00 3.55 0.00 3.13 3.24 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 0.00 130 R 8.45 4.19 0.00 2.00 2.05 0.00 3.20 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 131 A 7.96 4.21 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 0.00 132 L 7.60 4.05 0.00 1.90 1.66 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 133 M 9.46 3.99 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.65 0.00 134 A 7.73 3.99 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 0.00 135 K 7.84 4.06 0.00 1.70 1.82 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 136 R 7.54 4.15 0.00 1.73 1.34 0.00 3.02 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.77 0.00 137 A 8.15 4.23 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.19 0.00 2.10 2.08 0.00 3.41 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 139 L 7.47 3.99 0.00 1.38 1.48 0.86 0.83 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 0.00 140 Y 7.34 3.96 0.00 1.67 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 0.00 0.00 0.00 0.00 141 R 8.06 4.14 0.00 1.82 2.12 0.00 3.26 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 142 R 7.39 4.06 0.00 1.83 1.90 0.00 3.24 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 143 V 7.34 3.99 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 0.76 0.00 0.00 1.06 0.00 0.00 144 A 7.16 4.74 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.56 4.16 4.28 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 1.31 0.00 0.00 146 M 8.02 4.84 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 147 R 8.60 4.99 0.00 1.59 1.90 0.00 3.25 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 148 V 8.08 4.14 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 0.70 0.00 0.00 0.90 0.00 0.00 149 D 8.73 4.67 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.61 4.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 151 N 9.92 4.40 0.00 2.54 2.88 0.00 0.00 6.88 7.54 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 0.00 152 R 7.66 4.26 0.00 1.77 1.96 0.00 3.35 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 153 R 7.72 4.25 0.00 1.77 1.84 0.00 3.14 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 154 N 8.16 5.05 0.00 2.95 2.89 0.00 0.00 5.96 7.76 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 0.00 155 P 0.00 4.29 0.00 2.17 2.15 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 156 G 8.18 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 0.00 0.00 0.00 157 A 9.09 4.02 1.40 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 0.00 0.00 0.00 158 V 7.72 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 159 V 7.79 3.60 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 0.90 0.00 0.00 1.01 0.00 0.00 160 R 8.45 4.00 0.00 1.88 1.94 0.00 3.22 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 161 H 8.67 3.95 0.00 3.19 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.71 3.90 1.99 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 1.45 0.71 0.94 0.00 0.00 163 L 8.15 4.11 0.00 1.71 1.92 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.93 4.25 0.00 3.82 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 0.00 165 R 7.46 4.18 0.00 1.75 1.98 0.00 3.30 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 166 L 7.38 4.22 0.00 1.69 1.58 0.93 0.80 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 * Residues marked with a * may have inaccurate shift predictions.