NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4752 8.1776 115.2901 57.8671 63.4554 174.3919 3 V 3.3698 8.3277 128.8277 64.6642 30.9312 176.7150 4 Y 3.9314 8.6301 118.3387 60.9185 37.9899 178.9635 5 D 4.4033 7.7033 118.0949 57.1106 41.2034 178.3504 6 A 4.2334 8.1701 121.2420 55.1242 18.5253 179.5498 7 A 3.8511 8.2357 119.2391 55.1249 18.1547 179.6608 8 A 4.0421 7.5449 118.2123 54.9341 18.5047 179.3091 9 Q 4.2336 7.8524 115.3620 57.0650 29.8010 177.2095 10 L 4.2198 7.3046 121.0415 53.7678 40.1875 177.0437 11 T 4.2410 7.7151 114.7870 60.2361 71.6407 175.0749 12 A 3.9587 8.4721 122.0396 55.7689 18.3083 179.5524 13 D 4.3022 7.9945 116.6265 57.3491 40.9563 179.0889 14 V 3.5213 7.3527 118.3034 65.9410 31.5553 178.2966 15 K 3.8935 8.3091 118.6446 59.1641 31.7316 179.2902 16 K 3.9749 8.0718 120.0177 59.6793 32.1586 178.7112 17 D 4.6342 8.0615 118.8962 57.2478 40.6073 178.7226 18 L 3.7873 7.9449 119.5365 57.7373 41.6043 179.7782 19 R 4.0466 8.1098 117.8311 59.5052 28.5011 178.7428 20 D 4.5195 8.5554 119.2134 57.6376 40.8934 179.2503 21 S 3.5113 8.4519 114.6592 60.7660 63.0849 176.2784 22 W 4.3274 8.8418 132.4329 60.1068 30.2150 177.6366 23 K 3.8002 8.0289 118.9694 59.3733 31.6369 178.6116 24 V 3.6904 7.0670 117.2370 65.7035 31.7618 178.2428 25 I 3.4608 7.4807 112.2419 63.3395 37.5961 177.6930 26 G 2.1937 7.1126 108.4580 45.7234 0.0000 174.6476 27 S 4.0918 7.1340 114.3966 60.1305 63.6017 174.2553 28 D 4.6390 7.1780 119.9779 51.1336 41.0628 175.4585 29 K 3.8412 7.9768 123.1605 58.5478 32.4053 178.4127 30 K 4.0057 7.9434 119.5694 59.3876 32.4256 178.9940 31 G 3.7725 8.0529 106.7020 47.6188 0.0000 175.3308 32 N 4.4616 8.3339 119.8758 55.3553 37.9483 177.9721 33 G 3.5730 8.1578 107.4409 47.9088 0.0000 176.0571 34 V 3.7192 7.8625 120.8927 65.4041 31.5813 177.9123 35 A 4.0495 7.7016 121.6139 54.3436 18.0734 179.4475 36 L 3.6968 7.7920 117.4630 58.1542 41.6632 179.9440 37 F 3.2709 7.7804 116.8444 60.2843 38.5790 177.9882 38 T 3.9464 8.1482 109.5900 64.8849 68.3834 176.8739 39 T 3.8636 7.6080 118.2202 66.1248 68.5961 176.3935 40 L 3.7244 7.6162 122.4443 58.4407 41.8198 179.2815 41 F 4.8612 7.5638 115.5558 60.0294 38.8202 177.4557 42 A 4.2132 7.4688 120.3566 55.2967 18.4562 179.0572 43 D 4.5984 8.3488 116.4630 55.7735 42.5261 176.7863 44 N 5.1360 8.5282 117.1851 50.4746 38.8525 174.6978 45 Q 4.3016 8.2825 121.2545 58.6549 29.0026 177.4905 46 E 4.2263 8.2378 116.6344 58.1740 29.8797 177.8912 47 T 4.6430 8.1407 110.6825 63.0221 69.4593 176.5300 48 I 3.6640 7.9462 123.8999 64.4566 36.8541 177.9798 49 G 3.6372 8.0816 107.2854 48.8837 0.0000 174.2042 50 Y 4.2201 7.4333 116.5562 59.9787 38.1179 176.8166 51 F 4.9730 8.0769 119.7595 56.6824 39.8431 178.1455 52 K 3.9596 8.1528 122.1890 59.5400 32.3506 179.8135 53 R 3.9482 8.0037 117.8123 59.1999 30.0667 177.2389 54 L 4.1690 7.6556 116.4177 55.3177 42.6836 179.1056 55 G 3.7881 7.7512 106.3080 46.3112 0.0000 176.1268 56 D 4.4984 8.3901 121.6918 53.5716 40.8717 177.0277 57 V 3.7328 8.0623 121.4197 63.6967 31.5257 177.9566 58 S 4.3475 7.7087 113.1118 60.8054 62.8424 175.9165 59 Q 4.1546 8.1386 121.5274 56.1826 28.9281 177.1897 60 G 3.8370 8.9813 109.9668 46.2692 0.0000 176.4809 61 M 3.9342 9.0081 121.9622 58.3068 31.9742 177.1815 62 A 3.9939 7.6146 120.7136 54.1780 18.8930 177.2936 63 N 4.5826 8.2456 115.2363 52.8677 39.3556 175.0909 64 D 4.3789 8.6887 129.1811 57.5626 41.0254 179.0038 65 K 3.9826 8.0765 118.4293 59.2763 32.1114 179.0652 66 L 3.8932 8.4897 120.9429 58.0129 41.9964 179.0079 67 R 3.9917 8.2487 118.9725 59.3233 30.0655 178.7769 68 G 3.5913 8.3276 105.7841 47.9103 0.0000 175.2198 69 H 4.1232 8.3162 120.6260 59.1584 29.9350 177.6119 70 S 3.9535 8.2965 117.3216 61.4980 62.4145 176.7543 71 I 3.7334 7.6461 121.3319 64.8358 37.2295 178.2147 72 T 4.1864 7.8960 116.4551 66.6827 68.2336 176.3412 73 L 3.9213 8.0194 122.1631 58.4635 42.1455 179.0074 74 M 4.2242 7.9927 118.0219 58.3831 31.8178 178.0675 75 Y 4.1047 7.8472 115.8882 60.0773 38.0922 177.7790 76 A 3.6519 7.7171 122.4429 54.7631 18.3393 179.6358 77 L 3.5750 7.3953 117.0348 57.6471 41.6705 179.2186 78 Q 3.4464 7.8084 119.5319 58.8722 28.7327 177.8109 79 N 4.2672 7.5645 116.9791 56.8046 39.3960 176.2777 80 F 4.6398 7.6240 118.9124 60.9357 39.0601 177.7099 81 I 3.5299 7.6170 119.0852 64.6104 36.6737 178.3026 82 D 4.5073 8.1103 117.9303 56.4954 40.9350 177.7116 83 Q 4.4726 7.7132 117.2346 55.8620 28.7854 177.3341 84 L 4.0058 7.5670 121.3416 57.8579 41.6471 178.8105 85 D 4.7523 8.0836 117.6307 55.3481 41.3691 175.4162 86 N 4.8306 8.0357 117.5451 50.0128 40.0018 172.3051 87 P 4.2477 0.0000 0.0000 66.2506 30.6011 177.9461 88 D 4.4476 8.2689 117.9315 57.0630 40.5794 178.2098 89 D 4.4551 8.2107 118.9182 56.6091 41.1164 178.4019 90 L 3.9713 8.0251 121.1344 58.0613 42.0711 179.1620 91 V 3.4028 7.8618 118.5219 66.0599 31.3077 177.8219 92 C 4.1675 7.8240 113.5466 61.1431 29.4872 176.1895 93 V 3.6837 7.6944 114.8740 63.8751 31.1998 178.6553 94 V 3.7951 7.9864 118.2234 66.1543 31.5019 178.0444 95 E 3.9367 8.3554 118.3545 58.8580 28.9634 179.2995 96 K 3.8319 7.4047 119.3643 59.6850 32.1010 178.7934 97 F 4.9065 8.3731 118.8870 59.6342 38.7687 177.6294 98 A 3.9997 8.2450 121.0573 55.1776 18.1951 179.6151 99 V 3.5831 7.6968 116.2884 66.4517 30.2723 177.9411 100 N 4.3781 7.9834 115.1015 56.2956 38.2370 176.5445 101 H 4.6841 8.0747 116.3815 57.6249 29.5141 177.4106 102 I 3.7462 8.2753 122.6072 64.4880 36.6635 178.5169 103 T 3.9317 7.9566 109.2631 64.3273 68.7721 175.2378 104 R 4.3304 7.2732 116.4912 55.3314 30.0127 176.1685 105 K 3.8516 7.6750 116.0947 57.4998 29.9375 175.5656 106 I 4.0109 7.9183 120.5668 60.2181 37.8309 177.0893 107 S 4.5626 8.3861 120.5905 57.1884 65.7311 174.8546 108 A 3.9657 8.4808 123.5567 55.3327 17.8325 179.7917 109 A 3.9923 7.9182 117.6981 55.5345 18.8800 179.3147 110 E 4.1493 8.2078 116.5088 59.1861 29.6282 179.2524 111 F 4.1395 8.7012 121.4480 61.0653 39.5006 177.2118 112 G 3.8505 8.3999 104.8744 46.8648 0.0000 175.0662 113 K 4.2088 7.8642 120.2621 58.0798 32.0423 178.2832 114 I 3.5901 7.5177 119.2120 62.9344 37.8374 177.1347 115 N 4.4233 8.1779 117.9662 56.3235 38.3294 177.1771 116 G 3.5995 7.5236 107.0187 47.5219 0.0000 173.8700 117 P 4.1652 0.0000 0.0000 64.9998 31.2486 178.7623 118 I 3.4774 7.6368 118.5455 64.1731 36.9293 178.3798 119 K 3.9353 8.1537 120.4778 59.4236 32.0318 179.0605 120 K 3.9557 8.0497 118.8085 59.4075 31.7521 179.5760 121 V 3.5317 7.8167 117.8524 65.8282 31.6457 177.8053 122 L 4.0487 8.1624 118.8646 57.7796 41.5165 179.2394 123 A 4.2527 8.6543 122.6993 54.6079 18.0916 179.6884 124 S 4.2375 8.1176 111.2701 60.3317 63.0202 175.7825 125 K 4.4585 7.7462 120.8615 55.4772 32.3748 175.2828 126 N 4.1365 8.1231 116.0110 54.6980 37.8650 173.7984 127 F 4.4706 8.1412 115.4664 55.0289 40.7569 176.0157 128 G 4.0801 8.6089 116.8223 44.7526 0.0000 172.3484 129 D 4.4506 9.0278 117.7850 57.6497 40.5037 178.6845 130 K 3.7645 8.2003 119.2925 60.0762 32.0532 178.1895 131 Y 4.1664 8.1728 116.4202 60.8733 37.9140 177.8411 132 A 4.2255 8.2097 121.3564 55.4501 18.3063 179.3153 133 N 4.4010 8.6741 114.2919 56.1291 38.8281 177.2927 134 A 4.0875 7.7881 122.5616 55.0569 18.4401 179.7993 135 W 3.8666 8.5268 117.2411 59.6573 29.0734 178.6530 136 A 4.0856 8.2571 120.8645 55.0261 17.5237 179.8072 137 K 3.9926 7.6275 116.1513 59.1533 32.3654 179.0875 138 L 3.9348 7.6111 120.4580 58.0544 42.1151 178.9369 139 V 3.7607 8.1838 118.1834 65.9636 31.4591 177.8061 140 A 4.5925 7.9619 121.9490 54.4593 17.8817 179.8182 141 V 3.3968 7.3161 116.4086 66.0594 31.7826 178.1710 142 V 3.4769 7.4603 117.5326 65.9499 31.5546 177.7452 143 Q 3.7625 8.1298 117.6534 58.9124 28.3221 178.7536 144 A 4.0501 7.7946 120.1726 53.9802 18.4543 178.3544 145 A 4.3670 7.6469 117.4433 52.0218 19.5585 177.0273 146 L 4.1387 7.4664 122.9303 54.7001 41.8699 176.4558 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 S 8.18 4.48 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 3 V 8.33 3.37 1.90 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 0.27 0.00 0.00 0.70 0.00 0.00 4 Y 8.63 3.93 0.00 3.03 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 5 D 7.70 4.40 0.00 2.83 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 6 A 8.17 4.23 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 7 A 8.24 3.85 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 8 A 7.54 4.04 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 9 Q 7.85 4.23 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.22 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 10 L 7.30 4.22 0.00 1.70 1.54 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.72 4.24 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 12 A 8.47 3.96 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 13 D 7.99 4.30 0.00 2.67 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 14 V 7.35 3.52 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 0.91 0.00 0.00 0.87 0.00 0.00 15 K 8.31 3.89 0.00 1.91 1.80 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.58 7.81 16 K 8.07 3.97 0.00 2.03 1.96 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.77 7.81 17 D 8.06 4.63 0.00 2.74 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 18 L 7.94 3.79 0.00 1.65 1.25 0.54 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.11 4.05 0.00 2.08 2.06 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 20 D 8.56 4.52 0.00 2.94 2.94 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 21 S 8.45 3.51 0.00 3.51 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 W 8.84 4.33 0.00 3.80 3.39 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 23 K 8.03 3.80 0.00 1.85 2.00 0.00 1.87 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 24 V 7.07 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 1.04 0.00 0.00 1.08 0.00 0.00 25 I 7.48 3.46 1.53 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 1.22 0.11 0.59 0.00 0.00 26 G 7.11 2.19 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 27 S 7.13 4.09 0.00 3.82 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 28 D 7.18 4.64 0.00 2.75 2.39 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 29 K 7.98 3.84 0.00 1.72 1.67 0.00 1.18 0.00 0.00 0.73 0.00 0.00 2.32 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.36 7.81 30 K 7.94 4.01 0.00 1.82 1.77 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 31 G 8.05 3.77 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 0.00 0.00 0.00 32 N 8.33 4.46 0.00 2.71 2.71 0.00 0.00 6.99 7.15 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 33 G 8.16 3.57 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 0.00 34 V 7.86 3.72 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 1.09 0.00 0.00 0.96 0.00 0.00 35 A 7.70 4.05 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 36 L 7.79 3.70 0.00 1.77 1.26 0.77 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 F 7.78 3.27 0.00 3.02 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 38 T 8.15 3.95 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 1.30 0.00 0.00 39 T 7.61 3.86 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 1.16 0.00 0.00 40 L 7.62 3.72 0.00 1.30 1.04 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.56 4.86 0.00 3.08 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 42 A 7.47 4.21 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 43 D 8.35 4.60 0.00 2.61 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 44 N 8.53 5.14 0.00 2.91 2.91 0.00 0.00 6.98 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.28 4.30 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 46 E 8.24 4.23 0.00 2.15 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 0.00 2.38 2.38 0.00 47 T 8.14 4.64 4.76 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 1.52 0.00 0.00 48 I 7.95 3.66 1.91 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 1.05 0.73 0.73 0.00 0.00 49 G 8.08 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 0.00 0.00 0.00 50 Y 7.43 4.22 0.00 2.80 2.51 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 51 F 8.08 4.97 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.15 3.96 0.00 1.82 1.86 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.68 7.81 53 R 8.00 3.95 0.00 1.79 2.00 0.00 3.25 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 54 L 7.66 4.17 0.00 1.74 1.70 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.75 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 0.00 0.00 0.00 56 D 8.39 4.50 0.00 2.78 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 57 V 8.06 3.73 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 0.58 0.00 0.00 0.51 0.00 0.00 58 S 7.71 4.35 0.00 4.01 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 59 Q 8.14 4.15 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.84 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 60 G 8.98 3.84 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 0.00 0.00 0.00 61 M 9.01 3.93 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 62 A 7.61 3.99 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 63 N 8.25 4.58 0.00 2.78 2.88 0.00 0.00 7.02 8.06 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 64 D 8.69 4.38 0.00 2.72 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 65 K 8.08 3.98 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.50 7.81 66 L 8.49 3.89 0.00 1.73 1.82 0.80 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.25 3.99 0.00 2.02 2.02 0.00 3.15 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 68 G 8.33 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 0.00 0.00 0.00 69 H 8.32 4.12 0.00 3.28 3.38 0.00 5.79 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 70 S 8.30 3.95 0.00 3.93 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 71 I 7.65 3.73 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 1.15 0.00 0.00 72 T 7.90 4.19 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 73 L 8.02 3.92 0.00 1.71 1.90 1.22 0.78 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 74 M 7.99 4.22 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.92 0.00 75 Y 7.85 4.10 0.00 3.23 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 76 A 7.72 3.65 0.43 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 77 L 7.40 3.58 0.00 1.54 1.30 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.81 3.45 0.00 2.47 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 79 N 7.56 4.27 0.00 2.95 2.86 0.00 0.00 7.27 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 80 F 7.62 4.64 0.00 3.10 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 81 I 7.62 3.53 1.60 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.29 0.83 0.00 0.00 82 D 8.11 4.51 0.00 2.81 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 83 Q 7.71 4.47 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 84 L 7.57 4.01 0.00 1.57 1.68 0.78 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.08 4.75 0.00 2.65 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 86 N 8.04 4.83 0.00 2.70 2.67 0.00 0.00 6.77 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.25 0.00 2.33 2.31 0.00 3.75 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 2.10 2.09 0.00 88 D 8.27 4.45 0.00 2.97 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 89 D 8.21 4.46 0.00 2.83 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 90 L 8.03 3.97 0.00 1.94 1.75 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.86 3.40 1.93 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 0.47 0.00 0.00 0.57 0.00 0.00 92 C 7.82 4.17 0.00 3.20 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 93 V 7.69 3.68 2.33 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 0.94 0.00 0.00 1.28 0.00 0.00 94 V 7.99 3.80 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 0.91 0.00 0.00 0.49 0.00 0.00 95 E 8.36 3.94 0.00 2.01 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 2.24 2.42 0.00 96 K 7.40 3.83 0.00 1.67 1.69 0.00 0.76 0.00 0.00 1.19 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.38 7.81 97 F 8.37 4.91 0.00 3.40 3.23 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 98 A 8.25 4.00 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 99 V 7.70 3.58 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 1.03 0.00 0.00 0.97 0.00 0.00 100 N 7.98 4.38 0.00 3.20 2.92 0.00 0.00 6.98 8.04 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 0.00 101 H 8.07 4.68 0.00 3.39 3.43 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.28 3.75 2.00 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 1.57 0.76 0.91 0.00 0.00 103 T 7.96 3.93 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 1.25 0.00 0.00 104 R 7.27 4.33 0.00 1.83 1.91 0.00 3.35 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 105 K 7.67 3.85 0.00 2.03 1.99 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.59 7.81 106 I 7.92 4.01 2.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.96 0.00 0.00 107 S 8.39 4.56 0.00 4.07 4.03 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 0.00 0.00 0.00 108 A 8.48 3.97 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 0.00 109 A 7.92 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 0.00 110 E 8.21 4.15 0.00 2.09 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 2.42 2.41 0.00 111 F 8.70 4.14 0.00 3.25 3.21 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 0.00 112 G 8.40 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 0.00 113 K 7.86 4.21 0.00 1.95 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.69 7.81 114 I 7.52 3.59 1.53 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.66 0.00 0.00 115 N 8.18 4.42 0.00 2.93 2.87 0.00 0.00 6.70 7.03 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 0.00 116 G 7.52 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 0.00 117 P 0.00 4.17 0.00 2.01 2.04 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.02 0.00 118 I 7.64 3.48 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.64 0.00 0.00 119 K 8.15 3.94 0.00 1.92 1.94 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 120 K 8.05 3.96 0.00 1.93 1.79 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.62 7.81 121 V 7.82 3.53 1.90 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 0.67 0.00 0.00 0.85 0.00 0.00 122 L 8.16 4.05 0.00 1.92 1.93 0.93 0.49 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 0.00 123 A 8.65 4.25 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 0.00 124 S 8.12 4.24 0.00 4.03 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 0.00 125 K 7.75 4.46 0.00 2.00 1.96 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.50 7.81 126 N 8.12 4.14 0.00 2.75 2.64 0.00 0.00 6.92 6.54 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 0.00 127 F 8.14 4.47 0.00 3.24 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 0.00 128 G 8.61 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 0.00 0.00 0.00 129 D 9.03 4.45 0.00 2.81 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 0.00 130 K 8.20 3.76 0.00 1.73 1.69 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.64 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.93 1.33 7.81 131 Y 8.17 4.17 0.00 3.49 3.26 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 0.00 132 A 8.21 4.23 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 0.00 133 N 8.67 4.40 0.00 2.86 2.90 0.00 0.00 7.02 7.35 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 0.00 134 A 7.79 4.09 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 0.00 135 W 8.53 3.87 0.00 3.62 3.36 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 0.00 136 A 8.26 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.63 3.99 0.00 1.84 1.82 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.60 7.81 138 L 7.61 3.93 0.00 1.46 1.73 0.63 0.59 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 0.00 139 V 8.18 3.76 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 1.20 0.00 0.00 1.13 0.00 0.00 140 A 7.96 4.59 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 0.00 141 V 7.32 3.40 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 0.60 0.00 0.00 0.82 0.00 0.00 142 V 7.46 3.48 1.91 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 0.33 0.00 0.00 0.77 0.00 0.00 143 Q 8.13 3.76 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 144 A 7.79 4.05 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 0.00 145 A 7.65 4.37 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 0.00 146 L 7.47 4.14 0.00 1.68 1.51 0.50 0.73 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