NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4085 8.3049 120.3457 55.1681 33.2292 178.2648 3 L 4.7057 8.5533 111.1215 51.3906 44.9002 174.7461 4 T 4.0003 8.5681 116.7926 61.9522 70.2987 174.8318 5 A 3.9931 8.5172 126.4687 55.5036 18.3757 180.0320 6 E 3.9729 8.2420 117.0026 59.3233 29.3831 179.4616 7 E 3.8963 7.9496 118.2204 59.4836 29.6417 179.3029 8 K 3.8411 8.1546 118.2225 59.2648 32.0511 179.3319 9 A 3.9574 7.9163 120.3514 55.1873 18.3904 179.5840 10 A 4.0206 8.0150 119.3695 55.1842 18.3765 180.1259 11 V 3.5879 8.0472 116.9339 66.4554 31.7685 178.2706 12 T 3.9937 8.5031 115.6621 66.8922 68.1276 176.4678 13 A 4.1279 8.0346 121.1751 54.9919 18.5762 179.1908 14 F 4.1859 8.5932 119.4106 61.2467 39.6026 177.2146 15 W 4.2142 9.0414 128.3077 60.3734 30.2876 178.0329 16 G 3.6987 7.9851 104.3702 47.1424 0.0000 175.2504 17 K 4.1442 7.6146 119.6472 57.0870 32.2709 177.3342 18 V 3.5244 6.4699 120.0197 62.0476 31.7015 176.5014 19 K 4.1065 8.3592 127.2360 55.6132 31.8417 177.6414 20 V 3.4881 8.0697 125.4657 65.4637 31.6824 177.1685 21 D 4.3309 8.0045 118.5993 56.7552 39.1705 178.4866 22 E 3.9129 7.9690 120.3329 58.6139 29.5151 179.3785 23 V 3.6943 8.0027 118.5159 65.5103 31.6332 178.4569 24 G 3.6573 8.3302 105.7880 47.6605 0.0000 175.7074 25 G 3.7510 7.8454 108.3475 47.5432 0.0000 175.0823 26 E 3.8979 8.2895 121.9405 58.8334 29.5744 178.8782 27 A 3.9509 8.1434 120.6945 55.1249 18.6033 179.3555 28 L 3.9694 8.0924 119.0770 58.0459 42.1386 179.1427 29 G 3.6787 8.0820 105.6726 48.2651 0.0000 175.9370 30 R 3.9443 8.1086 121.1010 58.1445 29.8975 178.8587 31 L 4.0449 8.0778 120.5651 58.4299 42.2632 179.1727 32 L 4.2113 7.7400 118.9868 56.3454 41.2547 179.3819 33 V 3.6854 7.1079 117.2507 65.3341 31.8681 177.7791 34 V 3.5403 7.8880 117.0826 64.1861 32.7779 175.6893 35 Y 4.0434 7.3619 116.9191 54.5768 37.6609 174.2970 36 P 4.7840 0.0000 0.0000 64.4849 31.7735 178.4683 37 W 4.3586 8.0408 116.5050 59.3032 28.0565 178.0242 38 T 4.3212 7.6830 111.1971 64.6114 67.9973 176.3265 39 Q 4.2053 8.1273 121.1983 58.7899 28.3875 178.3922 40 R 3.7856 7.8044 119.3311 59.5547 30.1096 178.0360 41 F 4.2418 7.7764 114.6568 58.5866 39.0228 175.6946 42 F 4.3871 8.0017 118.5087 56.6808 39.8269 177.1151 43 E 3.9916 8.2529 121.4971 59.1302 29.4153 177.7499 44 S 4.4700 8.0450 112.6080 59.4041 63.5229 175.5513 45 F 4.3104 8.4224 120.5084 58.6337 39.3824 174.4112 46 G 3.9519 7.2881 105.1431 43.9578 0.0000 172.4912 47 D 4.5762 8.6935 121.3673 54.2999 41.6763 177.0437 48 L 4.9260 8.3346 127.7161 54.6381 42.9302 177.6283 49 S 4.4433 8.7172 115.5894 59.5577 63.9632 174.3314 50 T 4.7054 7.4291 110.5646 58.8820 72.8725 174.5017 51 A 3.9318 8.3648 123.1530 55.5070 18.4096 179.7496 52 D 4.2441 8.0776 116.5812 57.4342 40.7553 178.3993 53 A 3.9884 7.7847 119.9522 55.5238 18.3873 179.6123 54 V 3.6949 7.7777 116.3573 66.4662 31.4095 178.1070 55 M 4.1154 7.8990 117.1792 57.8451 32.0155 177.8065 56 N 4.6546 8.3602 115.1860 53.2971 39.2518 174.8208 57 N 4.4489 7.4024 121.0530 52.6895 39.6386 173.7348 58 P 4.2586 0.0000 0.0000 65.6513 31.4831 178.8555 59 K 3.7187 7.9224 116.9117 58.9238 31.7937 179.4153 60 V 3.6996 7.9391 118.5553 66.0113 31.5875 178.0587 61 K 3.8774 8.0432 117.8781 59.6023 31.8101 179.1790 62 A 3.9899 8.0366 120.7934 55.4707 18.2302 179.2237 63 H 4.3107 8.9619 117.3537 59.2392 29.9920 177.6521 64 G 3.6750 8.6306 108.1739 47.6154 0.0000 175.5487 65 K 4.0026 8.0590 121.6675 59.4007 32.3810 179.1177 66 K 4.0534 7.9088 118.7583 59.2437 31.8596 179.4684 67 V 3.7178 8.0585 118.7406 66.2363 31.3149 178.1837 68 L 4.3533 8.1842 118.6426 58.0225 41.4482 179.1857 69 D 4.2854 8.4292 118.9421 57.4120 40.6865 178.9168 70 S 4.1693 8.1381 113.4262 61.2653 62.4108 176.1831 71 F 4.0990 8.6477 120.6348 60.8253 38.5249 177.6166 72 S 4.3479 9.3302 114.5547 61.9106 63.0478 176.1671 73 N 4.5798 8.5374 119.7296 56.6210 38.6658 176.9463 74 G 3.8979 8.2187 107.1774 48.4638 0.0000 175.4228 75 M 3.9474 7.9389 119.7164 57.6122 31.9643 178.0905 76 K 4.2821 7.7259 116.0898 56.9883 33.2565 176.3354 77 H 4.9854 8.2801 117.6273 55.0710 29.7504 175.3617 78 L 4.2886 8.0914 119.9509 57.3624 41.8365 178.3369 79 D 4.6328 7.9493 116.3317 55.0686 41.9666 175.6056 80 D 4.8716 8.3698 119.7279 52.3443 41.6134 176.5835 81 L 4.1721 8.0815 122.1398 57.9059 41.8639 179.0227 82 K 4.0097 8.2101 117.0203 59.7560 32.4556 179.0717 83 G 3.6752 8.0606 105.6493 48.0194 0.0000 175.8418 84 T 3.6866 7.7733 117.2077 65.7415 68.6655 175.7177 85 F 4.5518 8.1770 117.1870 57.1395 39.2294 177.4782 86 A 3.9603 7.7217 123.0285 55.1713 18.0629 180.1933 87 A 3.9145 7.8597 118.6360 55.4247 18.5047 179.7302 88 L 4.0091 7.8964 117.0366 57.7470 41.7807 179.3888 89 S 4.1900 8.5258 113.6401 61.5377 62.3206 175.9078 90 E 3.8528 8.1864 121.7793 59.0356 29.4170 178.2435 91 L 3.8961 8.2181 120.6981 58.8751 42.1211 178.9416 92 H 4.2818 8.7005 115.9985 58.4426 28.4475 177.3117 93 C 4.0983 8.0375 120.7399 62.2719 31.3392 175.0400 94 D 4.3710 8.2566 118.8484 56.6720 40.9915 177.2006 95 K 4.1709 7.7865 117.3760 57.7719 32.7549 177.5607 96 L 4.4237 7.7437 115.8849 54.1141 42.9868 175.7536 97 H 4.3073 7.4610 113.5693 56.5279 26.7066 175.3255 98 V 3.7431 7.9569 118.5206 60.3166 32.3914 175.6391 99 D 4.2741 8.7959 124.5956 53.5484 41.6811 175.2859 100 P 2.9926 0.0000 0.0000 64.7707 31.8262 177.7227 101 E 3.7998 8.1749 120.2068 59.7156 29.2858 178.6387 102 N 4.3775 8.1114 116.0124 55.9028 38.5395 177.3821 103 F 4.5305 7.4068 119.6979 60.4752 38.8180 177.7612 104 K 4.1013 8.0033 117.8396 59.1621 31.7884 179.4003 105 L 3.8300 7.7596 118.8523 57.7131 41.5244 179.1438 106 L 4.1193 8.1349 120.3352 58.0355 42.1441 179.0573 107 G 3.8330 8.1760 105.5904 48.1773 0.0000 175.4115 108 N 4.4652 8.5473 119.3823 55.9076 38.4944 177.7103 109 V 3.6729 8.2383 120.0589 65.8622 31.6206 177.7655 110 L 3.8591 8.3539 120.5359 58.1635 41.9163 179.0764 111 V 3.5545 7.7152 117.8493 66.0638 31.3671 178.1682 112 V 3.6449 7.9738 117.9527 65.9771 31.3200 178.1646 113 V 3.5490 7.9955 118.1677 65.8511 31.3205 178.0867 114 L 3.8381 7.8345 118.4930 57.5882 41.3160 179.2194 115 A 4.1352 7.6092 120.6568 55.3143 18.1291 179.6494 116 R 3.8347 8.1041 116.3731 59.5718 30.2271 178.0510 117 N 4.4112 8.2651 114.9156 54.6085 38.8583 176.2787 118 F 4.6714 8.3686 117.1785 56.0621 41.0414 176.6850 119 G 4.0170 8.9586 108.9783 45.9771 0.0000 176.0320 120 K 3.8739 9.1284 120.3618 59.5831 31.9981 177.5207 121 E 4.1431 7.9935 118.3213 58.8542 29.9859 177.2151 122 F 4.4795 8.3052 123.3495 56.7814 37.8870 175.1642 123 T 4.0913 7.2917 115.7885 60.4650 71.1721 173.4697 124 P 4.2015 0.0000 0.0000 65.5203 31.2226 179.2995 125 V 3.4663 7.5168 116.6957 65.7429 31.5693 177.5514 126 L 3.8124 7.4806 119.6130 58.2852 41.7840 178.7714 127 Q 3.3784 7.8776 119.4735 58.8704 28.7302 177.9951 128 A 3.9620 8.0721 121.9959 55.2638 18.3983 179.4031 129 D 4.2461 8.0430 117.4441 57.4997 40.8153 179.0182 130 F 4.0231 8.4743 118.4071 60.3121 38.8405 177.6202 131 Q 4.1185 8.5731 118.3420 59.0756 28.5362 179.2021 132 K 3.9659 7.8770 119.2874 59.2865 31.9675 179.4680 133 V 3.5306 7.6707 118.3793 66.3394 31.4422 178.6226 134 V 3.8418 8.4338 112.2216 64.3212 31.2841 178.5408 135 A 4.1188 8.4162 121.0227 54.9504 18.2120 179.9045 136 G 3.5027 8.1656 104.3524 47.8299 0.0000 176.0805 137 V 2.9756 7.9516 120.8217 65.3294 31.4656 177.6570 138 A 3.8944 8.0586 120.7860 55.5366 17.9888 179.3894 139 N 4.3211 8.2229 113.3271 56.3980 38.7676 177.1709 140 A 4.1577 7.9662 122.1278 55.2583 18.2607 179.6813 141 L 3.7917 7.5324 115.8723 56.9719 41.4028 178.6086 142 A 4.5003 7.7840 119.4301 53.1422 18.6889 178.4901 143 H 4.1433 7.9436 117.7740 58.9697 29.7353 176.3109 144 R 4.7520 7.8702 117.9184 57.1162 30.0601 176.6157 145 Y 4.5433 8.1952 113.8527 59.5439 40.3371 175.6458 146 H 4.6138 7.9398 117.4958 55.6178 28.8292 174.5613 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 M 8.30 4.41 0.00 1.95 1.40 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 3 L 8.55 4.71 0.00 1.66 1.54 0.78 0.53 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 4 T 8.57 4.00 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 1.27 0.00 0.00 5 A 8.52 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 6 E 8.24 3.97 0.00 2.08 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 2.33 2.39 0.00 7 E 7.95 3.90 0.00 2.24 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 2.73 2.36 0.00 8 K 8.15 3.84 0.00 1.78 1.82 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.53 7.81 9 A 7.92 3.96 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 10 A 8.02 4.02 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 11 V 8.05 3.59 2.13 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 0.79 0.00 0.00 0.39 0.00 0.00 12 T 8.50 3.99 4.45 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 1.29 0.00 0.00 13 A 8.03 4.13 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 14 F 8.59 4.19 0.00 3.46 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 15 W 9.04 4.21 0.00 3.92 3.40 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 16 G 7.99 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 17 K 7.61 4.14 0.00 1.18 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 18 V 6.47 3.52 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 0.00 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 19 K 8.36 4.11 0.00 1.73 1.88 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.37 7.81 20 V 8.07 3.49 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 1.17 0.00 0.00 0.83 0.00 0.00 21 D 8.00 4.33 0.00 2.88 2.89 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 22 E 7.97 3.91 0.00 2.07 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 2.34 2.30 0.00 23 V 8.00 3.69 2.05 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 0.99 0.00 0.00 0.88 0.00 0.00 24 G 8.33 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 0.00 0.00 0.00 25 G 7.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.29 3.90 0.00 2.11 2.05 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 2.28 2.30 0.00 27 A 8.14 3.95 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 28 L 8.09 3.97 0.00 1.93 1.64 0.89 0.62 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 29 G 8.08 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.11 3.94 0.00 1.98 1.95 0.00 3.12 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 31 L 8.08 4.04 0.00 1.81 1.91 1.01 0.57 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 32 L 7.74 4.21 0.00 1.83 1.67 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.11 3.69 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 0.73 0.00 0.00 0.93 0.00 0.00 34 V 7.89 3.54 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 -0.08 0.00 0.00 0.76 0.00 0.00 35 Y 7.36 4.04 0.00 2.62 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 36 P 0.00 4.78 0.00 2.39 2.30 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 37 W 8.04 4.36 0.00 3.61 3.59 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 38 T 7.68 4.32 4.44 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 1.07 0.00 0.00 39 Q 8.13 4.21 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 40 R 7.80 3.79 0.00 1.73 1.59 0.00 3.12 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.53 0.00 41 F 7.78 4.24 0.00 2.60 2.45 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 42 F 8.00 4.39 0.00 2.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.25 3.99 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 2.24 2.30 0.00 44 S 8.04 4.47 0.00 4.15 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 45 F 8.42 4.31 0.00 3.16 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 46 G 7.29 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.69 4.58 0.00 2.66 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 48 L 8.33 4.93 0.00 1.66 1.63 1.06 1.01 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 49 S 8.72 4.44 0.00 3.97 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 50 T 7.43 4.71 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 51 A 8.36 3.93 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 52 D 8.08 4.24 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 3.99 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 54 V 7.78 3.69 2.20 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 1.07 0.00 0.00 0.96 0.00 0.00 55 M 7.90 4.12 0.00 2.03 2.09 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 2.60 2.91 0.00 56 N 8.36 4.65 0.00 2.76 2.86 0.00 0.00 6.96 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 57 N 7.40 4.45 0.00 2.92 2.87 0.00 0.00 7.06 7.51 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 58 P 0.00 4.26 0.00 2.13 2.04 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 59 K 7.92 3.72 0.00 1.33 0.74 0.00 1.62 0.00 0.00 1.33 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.12 1.23 7.81 60 V 7.94 3.70 2.29 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 1.08 0.00 0.00 1.10 0.00 0.00 61 K 8.04 3.88 0.00 1.96 1.84 0.00 1.93 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 62 A 8.04 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 63 H 8.96 4.31 0.00 3.54 3.54 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.63 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.06 4.00 0.00 1.99 1.97 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 66 K 7.91 4.05 0.00 1.86 1.87 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.59 7.81 67 V 8.06 3.72 2.36 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 1.37 0.00 0.00 1.11 0.00 0.00 68 L 8.18 4.35 0.00 2.07 1.88 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.43 4.29 0.00 2.95 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 70 S 8.14 4.17 0.00 4.12 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 0.00 71 F 8.65 4.10 0.00 3.56 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 72 S 9.33 4.35 0.00 4.12 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 0.00 73 N 8.54 4.58 0.00 2.95 2.89 0.00 0.00 7.07 7.57 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 74 G 8.22 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 75 M 7.94 3.95 0.00 1.73 2.11 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.29 0.00 76 K 7.73 4.28 0.00 1.83 1.62 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.48 7.81 77 H 8.28 4.99 0.00 3.06 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.09 4.29 0.00 1.59 1.69 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.95 4.63 0.00 2.66 2.70 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 80 D 8.37 4.87 0.00 2.63 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 81 L 8.08 4.17 0.00 1.77 1.81 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.21 4.01 0.00 1.73 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.71 7.81 83 G 8.06 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.77 3.69 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 0.59 0.00 0.00 85 F 8.18 4.55 0.00 3.09 2.89 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 86 A 7.72 3.96 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 87 A 7.86 3.91 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 88 L 7.90 4.01 0.00 1.95 1.83 1.05 0.89 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 89 S 8.53 4.19 0.00 4.04 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 0.00 90 E 8.19 3.85 0.00 2.06 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 2.27 2.27 0.00 91 L 8.22 3.90 0.00 1.77 1.84 0.90 0.97 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 92 H 8.70 4.28 0.00 3.48 3.70 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.04 4.10 0.00 2.50 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 94 D 8.26 4.37 0.00 2.59 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 95 K 7.79 4.17 0.00 1.91 1.80 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 96 L 7.74 4.42 0.00 1.74 1.68 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.46 4.31 0.00 3.51 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.96 3.74 1.62 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 0.62 0.00 0.00 0.39 0.00 0.00 99 D 8.80 4.27 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 2.99 0.00 1.92 1.63 0.00 3.45 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.86 0.00 101 E 8.17 3.80 0.00 2.05 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 2.26 2.38 0.00 102 N 8.11 4.38 0.00 2.59 2.78 0.00 0.00 7.00 7.87 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 0.00 103 F 7.41 4.53 0.00 3.10 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.00 4.10 0.00 1.86 1.87 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.57 7.81 105 L 7.76 3.83 0.00 1.62 1.05 0.54 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.13 4.12 0.00 1.87 1.81 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.18 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 0.00 108 N 8.55 4.47 0.00 2.93 2.96 0.00 0.00 6.70 8.54 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 0.00 109 V 8.24 3.67 2.32 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 1.14 0.00 0.00 1.20 0.00 0.00 110 L 8.35 3.86 0.00 1.70 1.75 0.83 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.72 3.55 2.32 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 1.21 0.00 0.00 1.11 0.00 0.00 112 V 7.97 3.64 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 1.04 0.00 0.00 1.06 0.00 0.00 113 V 8.00 3.55 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 1.02 0.00 0.00 0.94 0.00 0.00 114 L 7.83 3.84 0.00 0.83 0.56 0.43 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.61 4.14 1.57 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 0.00 0.00 116 R 8.10 3.83 0.00 1.92 1.94 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 117 N 8.27 4.41 0.00 2.86 2.46 0.00 0.00 6.86 6.97 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 0.00 118 F 8.37 4.67 0.00 3.40 3.31 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 0.00 119 G 8.96 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 0.00 0.00 0.00 120 K 9.13 3.87 0.00 1.82 1.98 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.44 7.81 121 E 7.99 4.14 0.00 2.11 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 2.73 2.47 0.00 122 F 8.31 4.48 0.00 2.96 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 0.00 123 T 7.29 4.09 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 1.28 0.00 0.00 124 P 0.00 4.20 0.00 2.11 2.08 0.00 3.53 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 2.07 2.09 0.00 125 V 7.52 3.47 2.02 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 0.98 0.00 0.00 0.89 0.00 0.00 126 L 7.48 3.81 0.00 1.58 1.11 0.93 0.59 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 0.00 127 Q 7.88 3.38 0.00 1.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 128 A 8.07 3.96 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 0.00 129 D 8.04 4.25 0.00 2.73 2.54 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 0.00 130 F 8.47 4.02 0.00 3.45 3.27 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 0.00 131 Q 8.57 4.12 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 132 K 7.88 3.97 0.00 1.89 1.82 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.59 7.81 133 V 7.67 3.53 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.71 0.00 0.00 134 V 8.43 3.84 2.28 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 0.93 0.00 0.00 1.10 0.00 0.00 135 A 8.42 4.12 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 0.00 136 G 8.17 3.50 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 0.00 137 V 7.95 2.98 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 -0.24 0.00 0.00 0.54 0.00 0.00 138 A 8.06 3.89 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 0.00 139 N 8.22 4.32 0.00 2.81 2.94 0.00 0.00 7.09 7.14 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 0.00 140 A 7.97 4.16 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 0.00 141 L 7.53 3.79 0.00 0.68 0.26 0.08 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.78 4.50 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 0.00 143 H 7.94 4.14 0.00 3.23 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.87 4.75 0.00 1.67 1.84 0.00 3.33 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 145 Y 8.20 4.54 0.00 2.79 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 0.00 146 H 7.94 4.61 0.00 3.24 3.32 0.00 5.61 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