NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4847 8.3049 118.1947 55.3326 31.8656 176.3425 2 K 3.9890 8.6841 114.9279 58.3656 32.6847 175.9559 3 T 4.5482 8.3869 116.2940 62.7365 70.1588 174.4534 4 R 4.1735 8.8974 126.2134 58.5883 30.5172 177.3232 5 I 4.4221 7.2677 115.7940 58.6791 40.8599 175.7124 6 N 4.5019 8.4464 123.5243 52.7183 38.0214 174.8919 7 Y 4.0474 7.9923 126.3079 59.5561 38.2374 177.7733 8 A 3.7982 6.9671 121.4591 54.4004 18.4368 178.9716 9 K 3.9598 7.7079 117.0716 59.3946 32.4082 178.6763 10 A 4.3302 8.0127 120.4615 53.8935 19.4303 177.6056 11 S 4.5036 8.2947 112.3243 54.8946 63.3690 172.0363 12 P 4.5027 0.0000 0.0000 65.3850 31.2521 177.7073 13 E 4.0038 8.2317 116.5337 59.3649 29.5299 179.0915 14 A 4.0211 7.9824 120.4394 54.9815 18.3595 179.3756 15 F 4.2615 8.5409 119.2031 61.6497 39.4792 177.5289 16 K 3.8546 8.6078 118.0699 59.3122 31.5338 179.2373 17 A 3.9243 7.9995 121.1755 55.1574 18.3313 179.9216 18 V 3.2434 7.5392 116.7240 66.0744 31.4921 177.9374 19 M 4.2362 8.0899 118.1164 58.4504 31.9585 178.0349 20 A 4.0430 8.1814 121.2837 55.0555 18.5586 179.3948 21 L 3.9683 7.6638 118.6891 58.0967 42.1824 178.5951 22 E 4.1260 8.3656 119.3432 59.7434 29.4207 178.6714 23 N 4.4049 8.6027 115.2754 56.2598 38.9084 176.4383 24 Y 4.1937 8.2560 121.0864 60.7519 38.9201 178.3332 25 V 3.3583 7.8635 118.9634 66.2140 31.3946 177.8828 26 Q 4.0306 7.9560 116.6212 58.5557 28.4843 178.1749 27 S 4.4884 7.5510 112.6837 58.6620 63.3263 176.0998 28 S 3.8937 7.3298 118.5946 60.0494 62.7880 175.1904 29 G 3.9943 7.3804 110.3174 44.8388 0.0000 173.9460 30 L 4.1731 7.0567 119.6987 54.3814 42.3965 176.9895 31 E 3.9403 8.9393 121.8387 57.0785 30.1037 178.0722 32 H 4.0517 8.7593 120.1846 58.7698 28.6908 177.7225 33 R 3.8047 7.8401 120.1806 59.7073 29.6290 178.3748 34 F 4.7854 7.9140 117.2581 60.4280 38.9394 177.9091 35 I 3.7425 7.8071 119.1015 64.7612 36.9635 177.8598 36 H 4.3167 8.5839 117.3990 58.8605 28.5021 177.5949 37 L 4.0007 8.3772 121.9906 58.2675 42.0001 178.9289 38 I 3.6448 8.0751 119.9499 64.4755 37.0743 178.6566 39 K 3.9599 8.1882 119.1439 59.2328 31.8755 179.3292 40 L 3.9547 8.3511 121.0286 58.1244 42.1126 178.9450 41 R 3.7851 8.1019 118.5512 59.4391 29.9914 178.3235 42 A 4.0031 7.9565 120.5663 55.2745 18.3218 179.7728 43 S 4.2476 8.1630 113.7259 61.6879 62.8666 176.9875 44 I 3.7095 7.8590 122.4378 64.5010 36.6916 178.2769 45 I 3.7246 7.5460 119.0710 64.6251 37.1286 177.5322 46 N 4.7015 8.2256 113.6351 52.9461 38.5472 175.7939 47 G 3.8099 7.7438 108.4657 46.8543 0.0000 174.7737 48 C 4.4340 8.0737 121.4310 57.7093 30.7807 173.4416 49 A 4.0397 8.3883 130.0281 54.5939 18.0877 178.5446 50 F 4.0557 8.3731 118.8288 61.9388 39.4651 177.0674 51 C 4.0557 8.2333 115.6488 62.3716 28.0781 175.8338 52 V 3.5835 8.1244 120.3642 66.1369 31.1029 177.4152 53 D 4.1736 8.1114 117.6946 57.5413 40.9685 177.9688 54 M 3.7844 7.3515 118.5004 59.0816 32.2664 177.9089 55 H 4.4280 8.4109 116.2712 58.1252 28.8506 178.0632 56 V 3.6546 8.1594 121.0587 65.9627 31.3426 178.1791 57 K 3.9631 7.8213 117.7506 59.4982 31.9957 179.2686 58 E 3.9445 8.3248 118.8672 59.4139 29.3897 179.5197 59 S 3.7632 8.1213 115.1924 61.5136 62.9371 176.7653 60 R 3.8282 8.1045 121.3422 59.7146 29.6105 177.9131 61 H 4.1366 8.1873 117.0301 59.0967 29.8432 175.9219 62 D 4.6472 7.6456 117.5872 53.9032 40.7776 177.1691 63 G 3.8282 7.7831 107.6156 45.3173 0.0000 174.1049 64 L 3.8268 7.2393 119.6306 53.7695 42.2732 178.0106 65 S 4.3622 8.2539 117.4530 58.2998 65.1420 175.3451 66 E 4.0773 8.7389 122.6180 59.6693 29.1839 179.7317 67 Q 4.0109 8.1033 117.6895 58.7612 28.6771 178.2358 68 W 4.1309 8.2052 128.0891 60.6307 30.4141 177.8692 69 I 4.1545 8.2258 119.5767 64.7577 36.5340 178.2654 70 N 4.5559 8.6995 115.8958 55.5001 38.6890 176.5475 71 L 4.5116 8.1077 118.9716 55.2220 41.8007 178.1174 72 M 4.0206 7.6909 118.7447 58.2912 32.2081 177.8705 73 S 4.4345 8.0997 113.0477 60.3471 63.6601 174.6067 74 V 4.5441 8.0156 116.9600 60.2918 33.0810 177.5697 75 W 4.5225 8.5881 119.5367 59.6536 28.1027 178.1670 76 R 2.8171 6.7464 116.8825 58.2351 29.3824 176.9800 77 E 4.3989 7.6808 114.0649 55.8189 29.7508 175.1734 78 S 4.7519 7.8480 115.0003 55.8257 63.6371 172.2852 79 P 4.5424 0.0000 0.0000 63.7105 31.5737 177.2636 80 V 3.5504 7.4521 119.5409 66.0132 31.4850 175.9763 81 Y 4.7730 7.3618 116.1354 57.2703 38.8908 175.9625 82 T 4.3044 9.1464 114.9478 61.3902 71.1112 175.6071 83 E 4.0397 8.7555 121.0402 59.7152 29.4560 179.5132 84 Q 3.5259 7.9519 119.0185 59.0480 29.2108 177.9204 85 E 4.0645 8.3779 119.6635 59.5349 29.4792 179.5235 86 R 3.7115 8.5406 118.3251 58.9926 29.9830 178.9608 87 A 3.9823 8.0361 120.5735 55.0365 18.3920 179.4557 88 L 3.7927 7.9211 118.7584 58.2671 42.1430 179.1215 89 L 3.5617 7.9151 119.4224 57.4695 41.2569 179.6086 90 G 3.9338 7.9093 105.7226 47.7241 0.0000 175.5339 91 W 4.3715 7.9202 130.6995 60.1186 30.6936 178.1916 92 V 3.4484 8.1695 118.6934 66.1466 30.9008 177.7332 93 D 4.3041 8.4620 118.4929 57.3883 40.5254 178.6259 94 A 3.9168 7.7418 119.7108 55.2370 18.4511 179.5551 95 V 3.3328 7.3504 115.8096 66.0394 31.5724 178.0723 96 T 3.9334 7.8505 115.0353 65.4129 69.0560 175.7754 97 K 4.5416 7.8784 120.9037 55.4958 32.3191 178.1584 98 I 3.6259 7.6795 120.7349 64.4355 37.8602 176.1269 99 A 3.9730 7.8190 120.1360 54.6991 18.2992 178.9445 100 E 4.1170 8.0012 116.3009 59.2485 30.0434 178.3456 101 T 4.2995 7.8489 107.9740 61.3690 69.5739 175.8277 102 G 3.7072 8.3709 107.3390 45.1792 0.0000 173.3921 103 A 3.5931 7.7974 121.5468 51.9292 15.9423 176.6892 104 P 4.5344 0.0000 0.0000 61.5465 33.9732 176.5195 105 D 4.5459 8.8332 120.3116 57.9387 40.8046 178.8832 106 D 4.3734 8.2472 117.4498 57.4344 41.2847 178.0454 107 A 4.1804 8.1615 120.7474 55.1171 18.4154 179.2599 108 F 3.5369 8.5515 119.1917 61.3982 39.5633 177.2889 109 E 3.7350 8.6982 118.6576 59.5803 29.0070 179.4424 110 T 3.8473 7.7151 114.7953 66.5370 68.8436 176.0332 111 L 4.0583 7.6663 122.1312 58.2642 41.8207 179.2362 112 R 3.6491 7.4858 116.8018 58.9194 29.9598 178.4752 113 A 4.0448 7.5719 118.6752 54.0521 18.4178 177.4624 114 H 4.5536 7.9610 111.6315 54.9755 30.9783 173.7722 115 F 4.9470 7.5897 116.6107 54.4647 42.8895 175.0743 116 S 4.4177 8.8909 119.0500 58.0588 64.9852 175.2974 117 D 4.3479 8.5609 122.3391 57.5015 40.6383 178.5975 118 E 3.9586 8.2093 119.2215 59.5315 29.6546 178.6385 119 E 4.0339 8.2883 118.4498 59.5050 29.4718 179.4020 120 I 3.5794 8.1589 120.3017 64.2117 37.0296 178.6662 121 V 3.6467 8.0116 119.1263 65.9609 31.3072 178.2647 122 K 4.1084 8.0521 118.0724 59.5196 31.8141 179.2889 123 I 3.6731 8.1644 120.4554 64.9084 37.0009 178.7069 124 T 4.0470 8.2667 116.5605 66.4609 68.2548 177.1336 125 V 3.5882 8.1975 120.2673 65.9401 31.5765 177.8556 126 A 4.0885 8.4072 120.7911 55.3535 18.2350 179.6606 127 I 3.7664 8.2201 118.6833 64.3170 37.1584 178.7699 128 G 3.6278 8.2988 106.4238 47.7588 0.0000 175.3774 129 A 3.9451 8.3443 124.0206 54.9871 18.4629 179.6539 130 I 3.9543 7.9375 117.0170 64.3447 38.1304 177.8050 131 N 4.4878 8.3461 117.4785 56.3727 38.2548 177.6237 132 T 3.7395 7.8389 117.2297 66.3855 68.6039 176.6899 133 W 4.3761 8.0799 120.8315 60.1086 29.0358 178.3267 134 N 4.5090 8.8334 116.6624 56.4867 37.9883 177.7594 135 R 3.8268 7.8731 118.9928 58.9879 30.0716 179.2352 136 I 2.8835 7.6863 119.4219 64.0048 37.0387 178.4009 137 A 3.8974 8.2538 123.1711 54.5982 18.3347 179.8969 138 V 3.6227 8.0266 117.1257 66.0854 31.4044 178.3065 139 G 3.5200 7.7158 104.2901 47.2297 0.0000 174.5976 140 F 5.1170 8.0362 117.3444 55.8695 39.7877 175.9397 141 R 3.9651 8.0352 117.4091 57.0214 27.8614 176.6817 142 S 4.1939 8.2076 113.2533 58.8425 63.6132 174.0637 143 Q 4.9451 8.5505 123.6260 54.1858 30.0019 175.5000 144 H 4.5495 8.7868 119.0661 54.1502 29.5719 173.4579 145 P 4.3975 0.0000 0.0000 62.8853 31.9207 176.5661 146 V 3.9856 8.2083 118.8776 63.1287 31.5895 175.2431 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.48 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 2 K 8.68 3.99 0.00 1.87 1.93 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 3 T 8.39 4.55 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 1.27 0.00 0.00 4 R 8.90 4.17 0.00 2.05 2.02 0.00 3.36 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 5 I 7.27 4.42 1.03 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.35 0.59 0.00 0.00 6 N 8.45 4.50 0.00 2.66 2.62 0.00 0.00 6.97 7.56 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 7 Y 7.99 4.05 0.00 3.47 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 8 A 6.97 3.80 0.35 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 9 K 7.71 3.96 0.00 1.75 1.88 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.39 7.81 10 A 8.01 4.33 1.23 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 11 S 8.29 4.50 0.00 3.85 3.78 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 12 P 0.00 4.50 0.00 2.25 2.16 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 13 E 8.23 4.00 0.00 2.10 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 2.43 2.48 0.00 14 A 7.98 4.02 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 15 F 8.54 4.26 0.00 3.38 3.41 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 16 K 8.61 3.85 0.00 2.03 1.88 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.86 7.81 17 A 8.00 3.92 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 18 V 7.54 3.24 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 0.64 0.00 0.00 19 M 8.09 4.24 0.00 2.11 1.68 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 20 A 8.18 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 21 L 7.66 3.97 0.00 1.72 1.78 0.95 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 22 E 8.37 4.13 0.00 2.69 2.43 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 2.51 2.55 0.00 23 N 8.60 4.40 0.00 2.88 2.92 0.00 0.00 7.05 7.46 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 24 Y 8.26 4.19 0.00 3.17 3.25 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 25 V 7.86 3.36 2.30 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 1.00 0.00 0.00 1.16 0.00 0.00 26 Q 7.96 4.03 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 27 S 7.55 4.49 0.00 4.02 4.13 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 28 S 7.33 3.89 0.00 3.84 3.46 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 29 G 7.38 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.06 4.17 0.00 1.63 1.71 0.93 0.89 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 31 E 8.94 3.94 0.00 1.62 1.54 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 2.34 2.39 0.00 32 H 8.76 4.05 0.00 3.15 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.84 3.80 0.00 1.59 1.42 0.00 2.95 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.41 0.00 34 F 7.91 4.79 0.00 3.30 2.98 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 35 I 7.81 3.74 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.79 0.91 0.00 0.00 36 H 8.58 4.32 0.00 3.50 3.58 0.00 5.62 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 37 L 8.38 4.00 0.00 2.32 2.11 0.95 0.93 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 38 I 8.08 3.64 2.04 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 1.49 0.48 0.92 0.00 0.00 39 K 8.19 3.96 0.00 1.68 1.42 0.00 1.60 0.00 0.00 1.30 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.56 7.81 40 L 8.35 3.95 0.00 1.88 1.75 0.97 0.88 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 41 R 8.10 3.79 0.00 1.72 1.84 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 42 A 7.96 4.00 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 43 S 8.16 4.25 0.00 4.11 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 44 I 7.86 3.71 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.94 0.00 0.00 45 I 7.55 3.72 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.66 0.91 0.00 0.00 46 N 8.23 4.70 0.00 2.81 2.87 0.00 0.00 7.11 7.29 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 47 G 7.74 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 48 C 8.07 4.43 0.00 3.07 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 49 A 8.39 4.04 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 50 F 8.37 4.06 0.00 3.39 3.16 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 51 C 8.23 4.06 0.00 3.14 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 52 V 8.12 3.58 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 1.07 0.00 0.00 1.01 0.00 0.00 53 D 8.11 4.17 0.00 2.46 2.49 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 54 M 7.35 3.78 0.00 1.74 1.60 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 55 H 8.41 4.43 0.00 3.21 3.38 0.00 5.67 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 56 V 8.16 3.65 2.27 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 1.05 0.00 0.00 1.03 0.00 0.00 57 K 7.82 3.96 0.00 1.96 1.79 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 58 E 8.32 3.94 0.00 2.06 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 0.00 2.32 2.49 0.00 59 S 8.12 3.76 0.00 4.14 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 60 R 8.10 3.83 0.00 1.96 2.08 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 61 H 8.19 4.14 0.00 3.17 3.48 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.65 4.65 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.78 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 64 L 7.24 3.83 0.00 1.47 0.92 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.25 4.36 0.00 4.07 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 66 E 8.74 4.08 0.00 2.03 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 0.00 2.42 2.37 0.00 67 Q 8.10 4.01 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 68 W 8.21 4.13 0.00 3.23 3.44 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 69 I 8.23 4.15 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.45 1.02 0.00 0.00 70 N 8.70 4.56 0.00 2.79 2.93 0.00 0.00 7.11 7.79 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 71 L 8.11 4.51 0.00 1.97 1.86 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.69 4.02 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 73 S 8.10 4.43 0.00 4.09 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 74 V 8.02 4.54 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 0.90 0.00 0.00 1.00 0.00 0.00 75 W 8.59 4.52 0.00 3.11 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 76 R 6.75 2.82 0.00 1.24 1.51 0.00 2.82 0.00 0.00 2.83 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 77 E 7.68 4.40 0.00 1.88 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 2.14 2.30 0.00 78 S 7.85 4.75 0.00 3.94 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 79 P 0.00 4.54 0.00 2.23 2.17 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 80 V 7.45 3.55 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 0.40 0.00 0.00 0.80 0.00 0.00 81 Y 7.36 4.77 0.00 3.21 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 82 T 9.15 4.30 4.33 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 1.34 0.00 0.00 83 E 8.76 4.04 0.00 2.03 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 2.46 2.37 0.00 84 Q 7.95 3.53 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.21 1.85 0.00 85 E 8.38 4.06 0.00 2.53 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 2.78 2.74 0.00 86 R 8.54 3.71 0.00 2.07 2.22 0.00 3.35 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 87 A 8.04 3.98 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 88 L 7.92 3.79 0.00 1.64 1.71 0.59 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.92 3.56 0.00 0.27 0.13 -0.17 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.91 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 91 W 7.92 4.37 0.00 3.24 3.15 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 92 V 8.17 3.45 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 0.97 0.00 0.00 0.92 0.00 0.00 93 D 8.46 4.30 0.00 3.05 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 94 A 7.74 3.92 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 95 V 7.35 3.33 1.61 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 0.59 0.00 0.00 -0.56 0.00 0.00 96 T 7.85 3.93 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 97 K 7.88 4.54 0.00 1.84 1.74 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.49 7.81 98 I 7.68 3.63 1.94 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.84 0.00 0.00 99 A 7.82 3.97 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 0.00 100 E 8.00 4.12 0.00 2.06 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 0.00 2.28 2.33 0.00 101 T 7.85 4.30 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 102 G 8.37 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 0.00 103 A 7.80 3.59 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 0.00 104 P 0.00 4.53 0.00 2.27 2.05 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 105 D 8.83 4.55 0.00 2.75 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 0.00 106 D 8.25 4.37 0.00 2.85 2.75 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 0.00 107 A 8.16 4.18 1.67 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 0.00 108 F 8.55 3.54 0.00 3.23 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 0.00 109 E 8.70 3.74 0.00 2.04 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 2.63 2.55 0.00 110 T 7.72 3.85 4.32 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 1.27 0.00 0.00 111 L 7.67 4.06 0.00 1.55 1.20 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.49 3.65 0.00 1.63 1.72 0.00 3.00 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 113 A 7.57 4.04 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 0.00 114 H 7.96 4.55 0.00 2.88 2.63 0.00 5.80 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.59 4.95 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 0.00 116 S 8.89 4.42 0.00 4.08 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 0.00 117 D 8.56 4.35 0.00 2.73 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 0.00 118 E 8.21 3.96 0.00 2.06 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 0.00 2.43 2.45 0.00 119 E 8.29 4.03 0.00 2.36 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 0.00 2.45 2.44 0.00 120 I 8.16 3.58 1.99 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.82 0.00 0.00 121 V 8.01 3.65 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 1.14 0.00 0.00 1.04 0.00 0.00 122 K 8.05 4.11 0.00 2.08 1.91 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.75 7.81 123 I 8.16 3.67 1.95 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.92 0.00 0.00 124 T 8.27 4.05 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 1.34 0.00 0.00 125 V 8.20 3.59 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 1.00 0.00 0.00 126 A 8.41 4.09 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 0.00 127 I 8.22 3.77 1.98 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 1.41 1.04 0.81 0.00 0.00 128 G 8.30 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.34 3.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 3.95 1.97 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 1.73 1.25 1.03 0.00 0.00 131 N 8.35 4.49 0.00 3.03 2.81 0.00 0.00 6.98 6.33 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 0.00 132 T 7.84 3.74 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 0.87 0.00 0.00 133 W 8.08 4.38 0.00 3.61 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 0.00 134 N 8.83 4.51 0.00 2.87 2.90 0.00 0.00 7.07 7.53 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 0.00 135 R 7.87 3.83 0.00 1.88 1.82 0.00 3.15 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 136 I 7.69 2.88 1.77 0.00 0.00 0.48 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 0.41 0.08 0.00 0.00 137 A 8.25 3.90 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 0.00 138 V 8.03 3.62 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 139 G 7.72 3.52 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 0.00 0.00 0.00 140 F 8.04 5.12 0.00 3.15 3.17 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 0.00 141 R 8.04 3.97 0.00 2.11 2.06 0.00 3.34 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 142 S 8.21 4.19 0.00 3.35 3.03 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 0.00 143 Q 8.55 4.95 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 144 H 8.79 4.55 0.00 3.17 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.40 0.00 2.20 2.10 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 1.94 1.92 0.00 146 V 8.21 3.99 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 0.83 0.00 0.00 0.91 0.00 0.00