NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2788 8.1633 120.3105 54.6149 32.5398 174.3850 2 K 4.0074 8.4773 126.6456 56.5045 32.6095 175.6883 3 G 4.0365 8.2526 112.9942 44.2653 0.0000 172.0607 4 D 4.5280 8.4166 119.1282 54.0243 42.0084 177.5984 5 K 3.9773 8.8774 126.1370 59.7511 32.3439 179.2021 6 I 3.6869 7.8130 120.2075 63.8870 36.8633 178.6476 7 V 3.7962 8.0160 118.9403 66.2320 31.4610 178.0006 8 I 3.7928 7.7855 119.5257 64.4264 36.7960 178.5521 9 Q 3.9407 7.9281 118.8214 59.1999 28.5611 178.3264 10 H 4.1363 8.2611 117.2429 58.6983 28.7140 177.8024 11 L 4.0156 8.3568 121.1823 58.1142 41.6679 179.4664 12 N 4.3664 8.4386 116.4717 55.8907 38.3116 177.4987 13 K 3.9193 8.1491 121.3358 59.7020 32.3695 179.0354 14 I 3.7607 7.8451 120.0678 64.1329 36.9526 178.1014 15 L 4.0673 8.2068 121.5527 58.1345 41.7255 179.3795 16 G 3.5809 8.0197 105.2576 47.7630 0.0000 175.4173 17 N 4.3394 7.9850 118.5772 56.1428 38.4959 177.3750 18 E 3.9262 8.2070 119.8663 59.3555 29.6984 179.1377 19 L 3.9218 7.9471 118.9943 57.9703 41.6319 179.7396 20 I 3.5925 7.4907 119.0920 64.4122 37.0130 178.2593 21 A 3.2399 7.5811 120.9383 54.8689 18.0185 179.5537 22 I 3.5470 7.8490 118.5217 64.6737 37.2314 178.3071 23 N 4.2929 7.8921 116.5840 56.3665 38.3582 177.2382 24 Q 3.9013 8.2474 121.1853 59.6579 29.1041 178.1405 25 Y 4.4455 8.1709 117.8616 60.9648 37.8681 178.1454 26 F 4.0025 8.4244 122.0258 60.8533 39.4943 177.1683 27 L 3.9714 8.1533 120.1462 58.5515 41.9842 178.5789 28 H 3.9803 8.4316 116.1496 58.6125 28.5971 177.6064 29 A 4.1326 8.2346 122.8232 55.5037 18.2731 180.0665 30 R 3.8050 7.7514 116.0182 59.0403 29.9753 179.3733 31 M 3.4869 7.6477 119.0383 58.2339 31.8615 178.2202 32 Y 4.2325 7.4881 116.8081 61.0548 38.1547 178.4612 33 E 3.9503 8.2245 119.4800 59.6233 29.4052 179.0502 34 D 4.3821 7.9349 116.5338 56.6547 41.3103 177.4909 35 W 4.8910 7.8317 117.6766 57.1405 29.6360 177.2278 36 G 4.0676 8.2325 107.6117 45.3388 0.0000 173.7717 37 L 4.6622 7.9798 122.1705 52.9928 38.1149 176.7303 38 E 4.0945 8.0298 123.3764 59.6897 30.0476 179.4296 39 K 3.9067 8.2047 118.1536 59.5274 32.1719 179.1406 40 L 4.0236 7.8708 120.1002 57.8951 41.9281 179.0913 41 G 4.2015 8.1408 107.0303 47.2868 0.0000 175.4647 42 K 3.8358 8.1114 122.7961 59.3401 32.1619 178.1600 43 H 3.8742 8.1930 118.2516 59.3614 29.9395 176.7608 44 E 3.8513 8.2416 120.3082 59.7667 29.3859 178.9753 45 Y 3.9617 8.4241 119.5355 61.1671 38.8874 178.0148 46 H 4.1064 8.0704 116.9945 58.8429 28.7610 177.6545 47 E 3.8459 8.0996 120.4417 59.2405 29.1667 179.4096 48 S 4.1887 7.8481 113.0746 61.5320 62.5650 176.3311 49 I 3.6621 7.3572 122.3852 64.1617 36.6441 178.2831 50 D 4.1894 7.9955 119.9290 57.4590 40.7235 178.5832 51 E 3.9739 8.0632 118.8713 59.6653 29.3502 179.4731 52 M 4.0761 7.7523 118.4555 58.1720 31.9702 178.9302 53 K 3.9922 7.8595 118.6572 59.7019 32.2070 179.1318 54 H 4.2601 8.5480 116.7509 58.7254 28.5614 177.7454 55 A 3.9578 8.0967 122.5825 55.2900 18.3013 179.1534 56 D 4.2831 8.2321 116.5550 57.3965 41.2006 178.7550 57 K 4.0039 8.1806 119.1373 59.3944 32.1073 179.3902 58 L 4.0431 7.9607 119.3230 57.7391 41.4565 179.5633 59 I 3.7165 7.9271 119.8127 64.4645 37.1866 178.7006 60 K 4.0079 8.0396 119.2322 59.2931 31.8471 179.5300 61 R 4.0128 8.1306 119.0843 59.4203 30.1829 178.4943 62 I 3.7163 8.2686 119.9850 64.6129 37.0930 178.3279 63 L 4.0392 8.1778 119.7816 57.8604 41.1767 179.5127 64 F 4.4295 7.9931 119.3460 61.1215 39.7651 176.5910 65 L 4.0654 7.8942 117.1957 53.5141 41.5986 176.6289 66 E 3.8097 7.8402 117.1965 57.8893 27.1549 173.4173 67 G 4.1527 7.8647 105.1922 43.6327 0.0000 172.1544 68 L 4.5692 8.1080 118.7989 51.9056 42.7141 175.3012 69 P 4.4274 0.0000 0.0000 63.1656 31.7346 176.4982 70 N 4.7433 8.7205 122.0888 52.3152 37.5229 173.8960 71 L 4.5779 7.9219 124.5626 54.6317 42.5273 177.4845 72 Q 4.4275 9.0558 122.2620 56.4193 30.7290 175.4576 73 E 4.3405 8.1874 116.5026 55.0617 30.6114 175.6172 74 L 4.4485 8.1680 123.5787 53.0035 43.7572 176.2529 75 G 3.8331 8.4175 115.7127 44.1987 0.0000 171.5185 76 K 3.8782 8.3835 120.2042 56.6630 32.3916 175.7998 77 L 4.5576 8.0525 120.9816 52.8296 44.1683 177.0574 78 L 4.2744 8.4902 124.8454 54.0381 40.5878 176.9475 79 I 4.2273 8.0685 124.3818 60.6488 38.7262 177.1913 80 G 4.2101 8.2065 113.0450 46.3315 0.0000 172.2281 81 E 5.0241 8.6801 120.9980 56.0338 35.7739 176.2647 82 H 5.0640 7.6766 112.7821 53.4840 32.7357 173.6478 83 T 4.1925 8.9280 118.2585 67.5697 68.4210 176.0170 84 K 3.8411 8.2709 120.3675 59.8031 32.2178 178.5036 85 E 3.9391 8.1159 118.8827 59.5578 29.6663 178.4959 86 M 3.9435 8.2620 118.7840 58.3008 31.9759 178.7868 87 L 4.0958 8.3106 119.3470 57.8623 41.7441 179.4407 88 E 3.9976 8.2959 118.5068 59.5457 29.3922 179.1759 89 C 4.1861 8.8689 117.2421 62.9474 28.2259 175.8917 90 D 4.6057 8.2900 120.3977 57.3135 40.4291 178.6582 91 L 3.8940 8.0387 120.6697 58.1803 42.1732 178.6355 92 K 3.8525 8.2531 119.7237 59.7918 31.7496 178.2818 93 L 4.0927 7.7838 119.5216 58.0021 42.0183 178.4361 94 E 4.2287 8.3329 118.3746 58.8980 28.9624 179.0521 95 Q 3.9495 8.2157 118.2523 58.3578 28.8577 177.7580 96 A 4.2453 8.0317 120.3511 54.0216 18.6457 178.9997 97 G 3.7977 7.6603 103.9780 46.5389 0.0000 175.9608 98 L 3.9706 7.5444 120.8740 57.7101 41.7470 177.6790 99 P 4.2643 0.0000 0.0000 66.0355 31.1939 178.3695 100 D 4.3925 8.1747 117.5132 57.2189 40.7462 178.7453 101 L 4.0210 7.7623 119.0529 57.8498 41.7330 179.6199 102 K 4.0496 8.3282 118.2361 59.1401 31.9679 179.3254 103 A 4.0028 8.1091 121.0920 55.1914 18.2335 179.5773 104 A 3.7656 7.8730 118.7368 54.9860 18.4980 180.0012 105 I 3.6662 7.8543 118.4393 64.4553 37.2660 178.5094 106 A 4.0165 8.1052 121.7340 55.1636 18.0900 179.0955 107 Y 3.9200 8.0597 118.0588 61.1161 38.9358 177.9218 108 C 3.9576 8.4232 117.9276 62.7917 27.8403 176.0396 109 E 3.9832 7.9773 120.2401 59.4749 28.9002 179.5746 110 S 4.1097 7.5970 112.3476 60.4294 63.2153 175.7602 111 V 4.0015 6.9252 113.6422 60.1435 31.7966 176.2537 112 G 3.0282 7.0893 106.4487 46.6120 0.0000 175.3226 113 D 4.4674 7.1923 120.5438 52.6913 38.0000 175.9451 114 Y 4.3093 7.1708 121.0745 60.7211 38.5751 177.8639 115 A 4.2426 8.0551 121.4244 55.3398 18.6506 179.7306 116 S 4.1618 8.2328 113.2849 61.4435 62.9253 176.6419 117 R 3.8930 7.8469 121.1179 59.5085 30.0022 178.3141 118 E 3.9653 8.3013 118.2880 59.3626 29.3535 178.9138 119 L 3.9604 7.7880 119.8236 58.5178 42.0290 179.2218 120 L 4.0329 7.9173 118.4142 57.7411 41.4012 179.3770 121 E 3.9827 8.3550 118.8125 59.2363 29.3412 179.1683 122 D 4.4729 8.0277 118.6213 57.5590 40.7467 178.7479 123 I 3.5113 7.2107 118.9530 64.0980 37.3160 177.9874 124 L 4.0813 8.1527 121.2707 58.3824 41.6857 178.6450 125 E 3.9737 8.4012 118.6660 59.8739 29.3034 179.6072 126 S 4.0041 8.2840 112.7922 61.2450 62.4437 176.0525 127 E 4.1356 8.3342 121.6055 59.2219 29.1554 178.8096 128 E 4.1746 8.1942 117.6145 58.5773 29.4346 178.9605 129 D 4.3893 7.6132 119.4847 57.5594 41.0462 177.9570 130 H 4.3377 8.0439 118.8150 59.5823 29.8153 177.2846 131 I 3.8079 8.0244 121.5516 64.2543 36.8830 177.9228 132 D 4.5777 7.8829 120.2180 56.6469 41.1573 177.9581 133 W 4.1671 8.5472 128.9920 60.4871 30.7208 177.7349 134 L 3.6819 8.6406 119.1392 57.8678 40.6891 179.2522 135 E 3.8529 8.3875 118.6320 59.8500 29.3592 179.4100 136 T 3.7812 7.7790 115.4831 66.9548 68.5171 176.5198 137 Q 3.6407 7.4575 119.5381 58.8175 28.1562 178.9000 138 L 3.7946 7.4753 119.8890 57.6795 41.6180 179.3523 139 D 4.3243 8.2241 119.2555 57.1280 40.6643 178.6578 140 L 3.9285 8.0542 119.9143 57.9402 41.4927 179.5092 141 I 3.4875 7.4311 119.5483 64.4267 36.7554 177.8299 142 D 4.4620 7.3895 116.7736 55.9780 40.8809 178.4555 143 K 4.1987 7.7017 118.8206 58.1425 32.5498 178.1596 144 I 4.2863 8.1739 110.7981 59.4682 39.1705 176.4872 145 G 3.9247 7.6642 109.2090 45.7899 0.0000 174.1016 146 L 3.9887 8.7262 124.3593 58.2603 42.0488 179.2362 147 E 3.9789 8.1695 117.7768 59.6692 29.5617 179.0233 148 N 4.3775 8.1278 115.9375 56.3249 38.4358 176.7091 149 Y 3.9756 8.1124 120.4970 60.7320 39.2340 177.8616 150 L 4.0501 8.5599 120.3482 57.7434 41.8219 179.1407 151 Q 3.9665 8.1653 119.5410 59.2636 28.7426 178.1863 152 S 4.3679 7.6322 113.7668 59.8784 63.2684 175.2615 153 Q 4.2879 7.6396 120.1862 55.9382 28.7156 177.3729 154 M 4.3175 7.2761 118.4090 57.7893 32.3311 176.1642 155 D 4.6556 7.8719 121.1020 54.4756 41.1912 176.4845 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 8.16 4.28 0.00 1.55 1.94 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 2 K 8.48 4.01 0.00 1.70 1.69 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.68 7.81 3 G 8.25 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 4 D 8.42 4.53 0.00 2.83 2.63 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 5 K 8.88 3.98 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 I 7.81 3.69 2.06 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 1.29 0.71 -0.03 0.00 0.00 7 V 8.02 3.80 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 1.22 0.00 0.00 1.15 0.00 0.00 8 I 7.79 3.79 2.02 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 1.52 0.59 0.90 0.00 0.00 9 Q 7.93 3.94 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 10 H 8.26 4.14 0.00 3.37 3.33 0.00 5.62 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 11 L 8.36 4.02 0.00 1.99 1.74 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.44 4.37 0.00 2.93 2.85 0.00 0.00 6.72 7.73 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 13 K 8.15 3.92 0.00 1.90 1.97 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.85 3.76 2.01 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 1.42 0.71 0.92 0.00 0.00 15 L 8.21 4.07 0.00 1.86 1.86 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.02 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.98 4.34 0.00 2.93 2.88 0.00 0.00 7.04 8.91 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 18 E 8.21 3.93 0.00 2.14 1.98 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 2.60 2.51 0.00 19 L 7.95 3.92 0.00 1.80 1.69 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.49 3.59 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.94 0.00 0.00 21 A 7.58 3.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.85 3.55 1.95 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 1.46 0.75 0.84 0.00 0.00 23 N 7.89 4.29 0.00 2.92 2.84 0.00 0.00 6.76 6.91 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 24 Q 8.25 3.90 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.36 0.00 25 Y 8.17 4.45 0.00 3.10 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 26 F 8.42 4.00 0.00 3.37 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 27 L 8.15 3.97 0.00 1.86 1.77 0.90 1.08 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 28 H 8.43 3.98 0.00 3.35 3.24 0.00 5.68 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 29 A 8.23 4.13 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 30 R 7.75 3.80 0.00 1.70 1.87 0.00 3.21 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.64 0.00 31 M 7.65 3.49 0.00 0.86 1.63 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.17 0.00 32 Y 7.49 4.23 0.00 3.19 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 33 E 8.22 3.95 0.00 2.23 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 0.00 2.23 2.31 0.00 34 D 7.93 4.38 0.00 2.62 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 35 W 7.83 4.89 0.00 3.67 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 36 G 8.23 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 0.00 0.00 0.00 0.00 37 L 7.98 4.66 0.00 2.03 1.66 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.03 4.09 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 39 K 8.20 3.91 0.00 1.96 1.89 0.00 1.86 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.43 7.81 40 L 7.87 4.02 0.00 1.52 1.28 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.14 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.11 3.84 0.00 1.78 1.97 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.40 7.81 43 H 8.19 3.87 0.00 3.20 3.08 0.00 5.86 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 44 E 8.24 3.85 0.00 2.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 3.04 0.00 45 Y 8.42 3.96 0.00 2.90 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.07 4.11 0.00 3.20 3.16 0.00 5.70 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 47 E 8.10 3.85 0.00 2.00 1.87 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 1.95 1.88 0.00 48 S 7.85 4.19 0.00 4.13 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 49 I 7.36 3.66 1.80 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.52 0.84 0.00 0.00 50 D 8.00 4.19 0.00 2.77 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 51 E 8.06 3.97 0.00 2.09 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 2.73 2.53 0.00 52 M 7.75 4.08 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.51 0.00 53 K 7.86 3.99 0.00 1.91 1.83 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.65 7.81 54 H 8.55 4.26 0.00 3.34 3.38 0.00 5.64 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 55 A 8.10 3.96 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 56 D 8.23 4.28 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.18 4.00 0.00 2.05 1.86 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.65 7.81 58 L 7.96 4.04 0.00 1.84 1.73 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.93 3.72 2.02 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 1.52 0.85 0.92 0.00 0.00 60 K 8.04 4.01 0.00 2.02 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.33 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 61 R 8.13 4.01 0.00 2.07 2.12 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 62 I 8.27 3.72 2.08 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 1.18 0.96 0.00 0.00 63 L 8.18 4.04 0.00 2.06 1.79 0.97 1.09 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 64 F 7.99 4.43 0.00 2.96 3.29 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 65 L 7.89 4.07 0.00 2.00 1.60 0.78 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.84 3.81 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 67 G 7.86 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 68 L 8.11 4.57 0.00 1.60 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.43 0.00 2.03 2.00 0.00 3.70 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 2.04 2.09 0.00 70 N 8.72 4.74 0.00 2.66 2.71 0.00 0.00 7.18 7.40 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 71 L 7.92 4.58 0.00 1.65 1.64 0.91 0.92 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 72 Q 9.06 4.43 0.00 1.91 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 73 E 8.19 4.34 0.00 1.98 1.84 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 2.26 2.27 0.00 74 L 8.17 4.45 0.00 1.51 1.50 0.90 1.00 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 75 G 8.42 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 76 K 8.38 3.88 0.00 1.70 1.76 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.56 7.81 77 L 8.05 4.56 0.00 1.59 1.52 0.93 0.97 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 78 L 8.49 4.27 0.00 1.87 1.71 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.07 4.23 1.91 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 1.51 0.76 0.94 0.00 0.00 80 G 8.21 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 0.00 0.00 0.00 0.00 81 E 8.68 5.02 0.00 1.93 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 0.00 2.18 2.22 0.00 82 H 7.68 5.06 0.00 3.29 3.29 0.00 5.69 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 83 T 8.93 4.19 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 1.49 0.00 0.00 84 K 8.27 3.84 0.00 1.83 1.93 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.51 7.81 85 E 8.12 3.94 0.00 1.81 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 0.00 2.36 2.38 0.00 86 M 8.26 3.94 0.00 1.89 2.33 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.22 0.00 87 L 8.31 4.10 0.00 1.85 1.67 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.30 4.00 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.71 0.00 89 C 8.87 4.19 0.00 3.04 3.20 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 0.00 0.00 0.00 0.00 90 D 8.29 4.61 0.00 2.98 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.04 3.89 0.00 1.86 1.83 0.93 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.25 3.85 0.00 1.93 2.15 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 93 L 7.78 4.09 0.00 1.92 2.04 0.95 1.07 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 94 E 8.33 4.23 0.00 2.26 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 2.68 2.55 0.00 95 Q 8.22 3.95 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 96 A 8.03 4.25 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 97 G 7.66 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 98 L 7.54 3.97 0.00 1.73 1.77 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.26 0.00 2.16 2.14 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 100 D 8.17 4.39 0.00 2.94 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 0.00 101 L 7.76 4.02 0.00 1.88 1.73 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.33 4.05 0.00 1.82 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 103 A 8.11 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.87 3.77 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 0.00 105 I 7.85 3.67 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.22 0.94 0.00 0.00 106 A 8.11 4.02 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 0.00 107 Y 8.06 3.92 0.00 3.17 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 0.00 108 C 8.42 3.96 0.00 3.13 3.11 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 0.00 109 E 7.98 3.98 0.00 2.21 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 2.41 2.51 0.00 110 S 7.60 4.11 0.00 3.95 3.91 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 0.00 0.00 0.00 0.00 111 V 6.93 4.00 1.87 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 0.02 0.00 0.00 0.72 0.00 0.00 112 G 7.09 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 0.00 0.00 0.00 113 D 7.19 4.47 0.00 2.68 2.46 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 0.00 114 Y 7.17 4.31 0.00 3.09 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 0.00 115 A 8.06 4.24 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 0.00 116 S 8.23 4.16 0.00 4.09 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 0.00 117 R 7.85 3.89 0.00 1.96 2.21 0.00 3.18 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 118 E 8.30 3.97 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 119 L 7.79 3.96 0.00 1.77 1.88 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.92 4.03 0.00 1.93 1.71 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.35 3.98 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 122 D 8.03 4.47 0.00 2.86 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 0.00 123 I 7.21 3.51 1.94 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 1.12 0.55 0.84 0.00 0.00 124 L 8.15 4.08 0.00 1.88 1.88 0.94 1.26 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 0.00 125 E 8.40 3.97 0.00 2.22 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 2.35 2.60 0.00 126 S 8.28 4.00 0.00 3.97 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 0.00 127 E 8.33 4.14 0.00 2.17 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 0.00 2.57 2.53 0.00 128 E 8.19 4.17 0.00 2.05 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 2.43 2.58 0.00 129 D 7.61 4.39 0.00 2.97 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 0.00 130 H 8.04 4.34 0.00 3.21 3.51 0.00 5.61 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 0.00 131 I 8.02 3.81 1.93 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 1.45 0.75 0.94 0.00 0.00 132 D 7.88 4.58 0.00 2.98 2.95 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 0.00 133 W 8.55 4.17 0.00 3.49 3.48 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 0.00 134 L 8.64 3.68 0.00 1.95 1.68 0.70 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.39 3.85 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 2.31 2.60 0.00 136 T 7.78 3.78 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 1.12 0.00 0.00 137 Q 7.46 3.64 0.00 1.69 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.48 3.79 0.00 1.74 1.60 0.86 0.98 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 0.00 139 D 8.22 4.32 0.00 2.76 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 0.00 140 L 8.05 3.93 0.00 1.83 1.69 0.89 0.70 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 0.00 141 I 7.43 3.49 1.80 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 0.81 0.44 0.79 0.00 0.00 142 D 7.39 4.46 0.00 2.70 2.68 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 0.00 143 K 7.70 4.20 0.00 1.86 1.84 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.54 7.81 144 I 8.17 4.29 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.69 0.93 0.00 0.00 145 G 7.66 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.73 3.99 0.00 1.76 1.69 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.17 3.98 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 2.40 2.40 0.00 148 N 8.13 4.38 0.00 3.06 2.89 0.00 0.00 6.72 7.48 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 0.00 149 Y 8.11 3.98 0.00 2.96 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 0.00 150 L 8.56 4.05 0.00 1.70 1.72 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.17 3.97 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 152 S 7.63 4.37 0.00 3.82 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 0.00 153 Q 7.64 4.29 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.81 0.00 0.00 0.00 0.00 0.00 1.84 2.07 0.00 154 M 7.28 4.32 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.48 0.00 155 D 7.87 4.66 0.00 2.62 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