NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3600 8.3044 120.3490 55.7751 32.7731 174.0632 2 S 4.5457 8.3147 112.3140 54.7388 65.1063 172.1754 3 S 3.9782 8.3866 117.3455 58.4714 63.0418 174.8587 4 Q 4.0464 8.8921 126.2129 58.2530 28.2229 177.0743 5 I 4.2938 7.0685 109.6549 60.2688 38.6991 175.9692 6 R 4.2016 7.8736 121.9729 56.1571 30.0215 175.4942 7 Q 4.2565 8.7813 119.7103 56.7087 31.7132 173.1319 8 N 4.2525 9.3004 122.6782 54.4817 37.3356 172.9188 9 Y 4.7884 7.2931 118.6075 54.9038 39.1327 175.8681 10 S 4.2650 8.1609 123.2069 58.1246 65.2508 175.1389 11 T 3.6871 8.3198 114.7253 64.8889 68.6355 176.5349 12 D 4.2433 7.8557 121.6126 57.0975 40.8763 178.6603 13 V 3.4741 7.0268 118.5126 65.7104 31.6203 177.3104 14 E 3.6436 7.7711 119.2397 59.6096 29.2331 179.0001 15 A 3.9976 8.1295 120.1089 54.8842 18.3911 179.4321 16 A 3.9798 7.8049 119.2375 54.8860 18.3006 180.1003 17 V 3.5483 7.9339 117.1072 66.4771 31.8791 177.9876 18 N 4.3291 8.0093 115.6503 56.2542 38.1837 177.5246 19 S 4.0699 7.8791 114.6469 61.3836 62.6092 175.8568 20 L 3.9934 8.0619 123.0351 58.0201 41.7290 179.0718 21 V 3.7816 8.2975 118.7082 66.2277 31.6441 177.5342 22 N 4.4232 8.1209 116.2481 56.6423 38.7569 176.5237 23 L 3.9967 8.2896 122.1302 58.1949 42.0666 178.7052 24 Y 4.0198 8.2649 116.7867 61.1398 38.0161 177.8062 25 L 3.5973 8.4434 120.2888 57.9706 41.5913 179.6687 26 Q 4.0204 8.1792 118.8105 59.2237 29.1721 177.9487 27 A 3.9438 8.0352 121.8372 55.0204 18.2601 179.6322 28 S 4.3104 8.7561 112.1770 61.9518 62.6295 175.5692 29 Y 4.3498 8.0991 122.1089 61.2941 38.4103 178.3562 30 T 3.8195 8.2298 116.5577 66.9617 68.5023 176.3100 31 Y 4.0372 7.8054 118.1104 60.6049 37.8323 178.0142 32 L 4.1727 8.4443 121.6891 58.4741 42.3348 179.1255 33 S 4.3701 8.3313 112.9414 61.4724 61.8540 175.9930 34 L 3.6192 7.9284 121.9823 57.4302 40.9598 179.7226 35 G 3.8263 8.6004 104.9479 48.1818 0.0000 175.7313 36 F 4.2709 8.5109 120.7009 59.5131 38.9029 177.2954 37 Y 4.2678 8.2614 119.7305 60.7288 38.6972 177.3576 38 F 4.1424 8.1456 115.4209 58.3780 38.9046 176.0410 39 D 4.6297 7.7341 117.2256 53.9024 42.0512 176.5741 40 R 4.1304 7.3686 119.3222 56.3440 30.6565 177.4136 41 D 4.5642 8.7498 121.4649 56.2220 39.4030 177.3479 42 D 4.4730 7.9697 117.6545 54.7284 40.2082 177.3294 43 V 3.6464 7.6958 118.4809 64.7928 32.6369 175.5609 44 A 3.8167 8.1630 119.6175 53.5546 16.1941 178.5597 45 L 4.7265 8.1124 121.4026 51.0226 43.0033 177.4563 46 E 4.0106 8.6877 123.4724 59.1915 29.6653 177.9485 47 G 3.5899 8.0523 104.9448 47.9806 0.0000 175.4265 48 V 3.1258 7.5150 120.7773 65.1546 31.5299 177.6819 49 S 4.2392 8.1425 112.9276 62.0174 62.1935 175.8312 50 H 4.1448 8.6395 121.1015 58.9929 29.3171 176.8486 51 F 3.7436 8.2474 122.9588 61.3370 39.1492 177.1279 52 F 4.4856 8.1477 117.0570 60.2558 38.6531 178.1432 53 R 4.0243 7.9033 117.9559 58.9896 29.7803 178.9136 54 E 3.8079 7.8967 118.5544 59.3414 29.3966 179.2631 55 L 3.6966 7.2009 118.5947 57.5826 41.5514 179.3420 56 A 4.1847 7.9729 120.6775 55.2690 18.1884 179.3088 57 E 3.9401 7.8537 117.8312 59.2808 29.8993 178.6812 58 E 3.8873 8.4892 119.0697 59.3383 29.4663 179.5540 59 K 4.3306 8.5732 119.0748 59.3880 32.1293 179.4149 60 R 3.2495 7.8644 118.6575 59.1743 29.9459 178.4931 61 E 3.8842 8.4547 119.0417 58.9291 29.4526 179.3308 62 G 3.4167 7.6695 105.7164 48.0798 0.0000 175.4192 63 Y 4.3044 7.8435 120.7610 59.3389 38.1455 177.9325 64 E 4.0416 7.5748 120.4602 59.0199 29.3777 179.1527 65 R 3.9874 8.0449 119.0819 59.2308 30.1128 178.4670 66 L 4.3561 8.1617 118.7135 58.0982 41.2406 179.5345 67 L 4.0627 8.3168 118.8803 57.5939 41.5344 179.6396 68 K 4.0174 8.0019 119.5174 59.7050 32.1965 178.6905 69 M 3.8790 8.3907 118.7978 58.1705 31.8205 177.9614 70 Q 3.8406 8.1894 120.1210 59.4168 29.0972 178.2334 71 N 4.3412 7.5518 114.6263 56.2281 38.5585 177.2202 72 Q 4.0556 7.5068 118.5921 58.8832 28.9452 178.5158 73 R 3.7997 7.7098 119.0327 57.3417 29.7726 177.9697 74 G 3.9484 7.5153 105.0851 45.3719 0.0000 174.1505 75 G 4.6187 7.7506 107.7852 44.9344 0.0000 172.6313 76 R 4.6007 8.3802 117.0788 53.9781 33.0812 175.6841 77 A 4.4464 8.2903 124.1196 51.3850 19.6270 177.0514 78 L 4.4371 9.1158 122.4752 52.8885 44.4621 176.3070 79 F 4.8642 8.4248 122.5474 56.2110 40.3782 175.1582 80 Q 4.7916 8.3350 122.0966 53.5086 31.9724 175.0225 81 D 4.4525 8.4973 118.5530 54.7412 41.2664 176.5685 82 I 4.3504 8.0364 123.1575 59.2672 37.8514 176.0203 83 K 4.0585 8.5734 126.1576 55.7454 32.3902 177.4604 84 K 3.4932 8.3752 122.6603 55.8098 32.0464 174.5535 85 P 4.3928 0.0000 0.0000 62.2449 31.7645 177.6527 86 A 3.9310 8.5283 122.1126 54.2893 18.4781 176.8672 87 E 4.2722 6.7635 113.8754 54.8562 33.5215 174.5350 88 D 4.7800 7.8798 116.7018 54.1182 43.2976 176.5646 89 E 4.0814 7.1893 116.6866 54.1581 32.9403 175.2213 90 W 4.4301 6.2841 121.5069 55.7560 30.7715 177.7751 91 G 3.6570 7.6061 107.8674 47.2584 0.0000 175.3548 92 K 4.6196 8.5382 123.7779 54.9211 34.8856 177.2205 93 T 4.1466 8.6797 116.2725 67.0376 68.2893 174.8221 94 P 4.3291 0.0000 0.0000 65.8861 31.3659 178.4636 95 D 4.4756 8.2623 116.9573 57.1576 40.9391 178.4834 96 A 4.2629 8.3392 121.6316 55.2480 18.4223 179.3896 97 M 4.2443 8.6978 117.3304 58.7854 32.3227 178.6841 98 K 4.0855 8.4384 118.5915 59.2548 32.2170 179.2328 99 A 4.0683 8.0843 120.6514 54.9592 18.2887 179.6236 100 A 3.8568 8.0113 118.9198 55.5733 18.6004 179.1832 101 M 3.9838 8.5292 117.0244 59.2085 32.1925 178.3880 102 A 4.0370 8.1147 120.5775 55.0043 18.5606 179.3740 103 L 3.9155 7.7620 118.5053 58.1905 42.0339 179.1666 104 E 4.0303 8.4760 118.6279 59.4675 29.4638 179.3885 105 K 3.7701 8.0543 118.5223 59.2861 32.0825 179.3392 106 K 3.9379 8.1280 119.8905 59.4349 32.0672 178.9604 107 L 3.8475 7.9266 119.2360 57.7101 41.4596 178.7838 108 N 4.2844 8.9034 118.0524 56.7973 38.7413 176.5518 109 Q 3.9102 8.5250 120.8713 59.3215 29.2570 178.0477 110 A 3.9893 8.0544 121.6535 55.0812 18.1993 179.7114 111 L 3.9193 8.1141 117.6597 58.1375 41.8159 179.6839 112 L 4.0200 8.1831 119.0161 57.9683 41.5198 179.3864 113 D 4.4411 8.4441 119.2126 56.9287 40.7702 178.4601 114 L 4.0559 7.9845 121.1510 57.9541 42.0337 178.4733 115 H 4.1315 8.6322 118.4816 59.1785 29.8885 176.9404 116 A 4.0361 8.0651 122.6370 55.3265 18.2040 179.4044 117 L 4.0485 8.0670 118.7932 58.0757 42.0940 179.4073 118 G 3.6584 8.1857 105.7952 47.9695 0.0000 175.8734 119 S 4.1736 8.6461 118.0424 61.2715 62.6287 176.6867 120 A 4.0737 7.9228 122.4502 54.7947 18.1619 178.8906 121 R 4.2859 7.9108 114.0858 54.9392 31.3696 176.7826 122 T 3.4339 7.4235 108.1347 63.2544 67.9069 173.8502 123 D 4.8595 8.0680 121.0178 52.0346 41.5381 173.9990 124 P 4.3363 0.0000 0.0000 65.4495 31.4586 177.8259 125 H 4.1349 8.2932 117.6076 59.2240 29.9141 176.6807 126 L 4.0299 7.9476 122.0270 58.4388 41.9071 178.8006 127 C 3.9330 7.9374 116.3822 62.7385 27.9950 175.6008 128 D 4.4635 8.3223 119.8288 57.3447 40.9163 177.7191 129 F 4.1632 8.7903 121.5115 61.6948 39.2823 177.1500 130 L 4.2963 8.1884 118.2494 57.6207 41.2774 179.2540 131 E 4.0907 7.9886 117.8600 59.5027 29.4522 179.2797 132 T 3.9529 7.9326 115.0584 66.6589 68.7943 176.1518 133 H 4.4217 7.4588 114.4883 55.8035 29.5442 175.3050 134 F 4.7567 7.6786 116.6747 59.0263 41.5065 176.9541 135 L 4.0336 8.5823 120.7873 58.4268 41.4856 179.4596 136 D 4.3910 8.0781 116.8697 57.2696 41.0755 177.9236 137 E 3.9927 8.1297 118.9144 59.2519 29.3998 179.0068 138 E 4.0464 8.3705 118.7557 59.2850 29.5521 179.4252 139 V 3.6002 7.7365 118.1272 66.1236 31.6318 178.2830 140 K 3.9830 8.0309 118.1549 59.1999 31.7369 179.2319 141 L 3.9664 7.7652 120.8066 58.2687 42.0327 179.0861 142 I 3.7602 8.0565 120.0335 64.3090 37.0828 178.3950 143 K 3.9633 8.3634 120.6425 59.0911 32.0317 178.9361 144 K 4.0401 8.0155 120.1880 59.7896 32.1297 178.8040 145 M 4.2824 8.4807 119.3788 58.2796 31.8484 178.8742 146 G 3.6942 8.3377 106.0148 48.0398 0.0000 175.3380 147 D 4.3666 8.0101 121.2723 57.3785 40.7548 178.7351 148 H 4.2165 7.9578 116.4056 58.7487 28.6307 177.7107 149 L 4.0017 8.2604 121.1250 58.4166 41.1293 179.8170 150 T 3.8792 8.0877 115.3758 66.6220 68.3802 176.1898 151 N 4.5584 8.0166 117.6858 55.6666 38.5586 177.5531 152 L 4.0558 8.3996 120.3754 57.9005 42.0582 178.6317 153 H 4.3006 8.6976 118.6719 58.9425 29.5385 177.2931 154 R 4.0301 7.4605 118.8227 58.8051 30.0084 177.5166 155 L 4.3949 7.5728 116.0332 55.1890 41.9107 177.0612 156 G 3.7128 7.6712 113.6527 45.5827 0.0000 173.7775 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 4.36 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 S 8.31 4.55 0.00 3.93 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 3 S 8.39 3.98 0.00 3.96 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 4 Q 8.89 4.05 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 5 I 7.07 4.29 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.89 0.00 0.00 6 R 7.87 4.20 0.00 1.90 1.90 0.00 3.21 0.00 0.00 3.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 7 Q 8.78 4.26 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.01 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 8 N 9.30 4.25 0.00 2.90 2.91 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 9 Y 7.29 4.79 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.16 4.26 0.00 3.99 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 11 T 8.32 3.69 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 1.15 0.00 0.00 12 D 7.86 4.24 0.00 2.64 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 13 V 7.03 3.47 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.88 0.00 0.00 14 E 7.77 3.64 0.00 1.56 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.58 0.00 15 A 8.13 4.00 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 16 A 7.80 3.98 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 17 V 7.93 3.55 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 1.17 0.00 0.00 1.12 0.00 0.00 18 N 8.01 4.33 0.00 2.76 2.95 0.00 0.00 6.77 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.88 4.07 0.00 3.92 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 20 L 8.06 3.99 0.00 1.97 1.90 0.99 0.71 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 21 V 8.30 3.78 2.31 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 1.03 0.00 0.00 1.11 0.00 0.00 22 N 8.12 4.42 0.00 2.89 2.99 0.00 0.00 6.95 6.16 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 23 L 8.29 4.00 0.00 1.78 1.81 0.89 1.05 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 24 Y 8.26 4.02 0.00 3.59 3.28 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 25 L 8.44 3.60 0.00 1.75 1.60 0.93 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.18 4.02 0.00 2.30 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 27 A 8.04 3.94 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 28 S 8.76 4.31 0.00 4.26 4.43 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 29 Y 8.10 4.35 0.00 3.24 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 30 T 8.23 3.82 4.06 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 0.80 0.00 0.00 31 Y 7.81 4.04 0.00 3.30 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 32 L 8.44 4.17 0.00 1.97 2.12 1.28 0.82 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 33 S 8.33 4.37 0.00 4.16 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.93 3.62 0.00 1.50 1.05 -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.60 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 36 F 8.51 4.27 0.00 3.36 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 37 Y 8.26 4.27 0.00 3.39 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 38 F 8.15 4.14 0.00 3.24 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 39 D 7.73 4.63 0.00 2.69 2.96 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 40 R 7.37 4.13 0.00 1.91 1.90 0.00 3.35 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 41 D 8.75 4.56 0.00 2.79 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 42 D 7.97 4.47 0.00 2.79 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 43 V 7.70 3.65 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 0.46 0.00 0.00 0.33 0.00 0.00 44 A 8.16 3.82 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 45 L 8.11 4.73 0.00 1.93 1.60 1.14 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.69 4.01 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 47 G 8.05 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 48 V 7.51 3.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.61 0.00 0.00 49 S 8.14 4.24 0.00 4.12 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 50 H 8.64 4.14 0.00 3.24 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.25 3.74 0.00 2.95 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 52 F 8.15 4.49 0.00 3.26 3.34 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 53 R 7.90 4.02 0.00 1.91 1.92 0.00 2.81 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 54 E 7.90 3.81 0.00 1.81 1.72 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 2.08 2.13 0.00 55 L 7.20 3.70 0.00 1.12 0.46 0.74 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.97 4.18 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 0.00 0.00 0.00 0.00 0.00 57 E 7.85 3.94 0.00 2.14 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 2.26 2.33 0.00 58 E 8.49 3.89 0.00 2.05 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 2.21 2.38 0.00 59 K 8.57 4.33 0.00 2.18 2.31 0.00 2.07 0.00 0.00 2.03 0.00 0.00 3.01 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.85 2.02 7.81 60 R 7.86 3.25 0.00 2.08 1.97 0.00 3.08 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 1.26 1.62 0.00 61 E 8.45 3.88 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 62 G 7.67 3.42 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 0.00 63 Y 7.84 4.30 0.00 3.32 3.33 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 64 E 7.57 4.04 0.00 2.02 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 2.19 1.99 0.00 65 R 8.04 3.99 0.00 1.96 2.09 0.00 2.55 0.00 0.00 2.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 66 L 8.16 4.36 0.00 2.11 1.86 0.87 0.73 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 67 L 8.32 4.06 0.00 2.06 1.87 1.35 0.91 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 68 K 8.00 4.02 0.00 2.16 1.99 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 69 M 8.39 3.88 0.00 1.67 1.37 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.05 0.00 70 Q 8.19 3.84 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 71 N 7.55 4.34 0.00 2.74 2.85 0.00 0.00 7.17 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 72 Q 7.51 4.06 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 73 R 7.71 3.80 0.00 0.95 0.66 0.00 2.93 0.00 0.00 2.95 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.00 74 G 7.52 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 75 G 7.75 4.62 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 0.00 0.00 0.00 76 R 8.38 4.60 0.00 1.78 1.77 0.00 3.32 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 77 A 8.29 4.45 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 9.12 4.44 0.00 1.42 1.48 0.87 -0.13 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 79 F 8.42 4.86 0.00 3.08 2.92 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 80 Q 8.34 4.79 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 81 D 8.50 4.45 0.00 2.69 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 82 I 8.04 4.35 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 1.07 0.00 0.00 83 K 8.57 4.06 0.00 1.95 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.44 7.81 84 K 8.38 3.49 0.00 1.59 1.71 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.35 7.81 85 P 0.00 4.39 0.00 2.52 2.34 0.00 3.28 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.80 0.00 86 A 8.53 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 87 E 6.76 4.27 0.00 1.16 1.12 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 1.47 1.47 0.00 88 D 7.88 4.78 0.00 2.43 2.57 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 89 E 7.19 4.08 0.00 1.61 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 2.16 2.15 0.00 90 W 6.28 4.43 0.00 2.91 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 91 G 7.61 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 92 K 8.54 4.62 0.00 2.11 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.55 7.81 93 T 8.68 4.15 4.31 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 1.12 0.00 0.00 94 P 0.00 4.33 0.00 2.22 2.16 0.00 3.70 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 2.16 2.22 0.00 95 D 8.26 4.48 0.00 2.98 2.81 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 96 A 8.34 4.26 1.81 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 97 M 8.70 4.24 0.00 2.18 2.18 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 2.65 2.61 0.00 98 K 8.44 4.09 0.00 1.93 1.90 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.64 7.81 99 A 8.08 4.07 1.56 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 0.00 0.00 100 A 8.01 3.86 1.75 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 0.00 101 M 8.53 3.98 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 102 A 8.11 4.04 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 0.00 103 L 7.76 3.92 0.00 1.68 1.84 0.85 0.75 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 0.00 104 E 8.48 4.03 0.00 2.27 2.07 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 2.72 2.64 0.00 105 K 8.05 3.77 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.69 7.81 106 K 8.13 3.94 0.00 1.92 1.94 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 107 L 7.93 3.85 0.00 1.86 1.49 0.77 -0.18 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 0.00 108 N 8.90 4.28 0.00 2.92 3.02 0.00 0.00 6.90 7.39 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 0.00 109 Q 8.52 3.91 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 110 A 8.05 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 0.00 111 L 8.11 3.92 0.00 1.98 1.76 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.18 4.02 0.00 1.86 1.74 0.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.44 4.44 0.00 2.87 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 0.00 114 L 7.98 4.06 0.00 1.90 1.84 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.63 4.13 0.00 3.26 3.43 0.00 5.65 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 0.00 116 A 8.07 4.04 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 0.00 117 L 8.07 4.05 0.00 1.88 1.86 0.91 1.03 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 0.00 118 G 8.19 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 0.00 119 S 8.65 4.17 0.00 4.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.92 4.07 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 0.00 121 R 7.91 4.29 0.00 1.82 1.96 0.00 3.46 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 122 T 7.42 3.43 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 1.23 0.00 0.00 123 D 8.07 4.86 0.00 2.73 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 0.00 124 P 0.00 4.34 0.00 2.34 2.33 0.00 3.80 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 2.12 2.05 0.00 125 H 8.29 4.13 0.00 3.21 3.50 0.00 5.68 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 0.00 126 L 7.95 4.03 0.00 1.87 1.88 1.06 1.08 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 0.00 127 C 7.94 3.93 0.00 3.16 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 0.00 128 D 8.32 4.46 0.00 2.89 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.79 4.16 0.00 2.95 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 0.00 130 L 8.19 4.30 0.00 1.80 1.77 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.99 4.09 0.00 2.12 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 2.44 2.65 0.00 132 T 7.93 3.95 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 0.91 0.00 0.00 133 H 7.46 4.42 0.00 2.36 2.49 0.00 5.59 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.68 4.76 0.00 3.18 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 0.00 135 L 8.58 4.03 0.00 1.69 1.79 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.08 4.39 0.00 2.74 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 0.00 137 E 8.13 3.99 0.00 2.21 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 2.31 2.32 0.00 138 E 8.37 4.05 0.00 2.24 2.07 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 2.71 2.60 0.00 139 V 7.74 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.01 0.00 0.00 140 K 8.03 3.98 0.00 1.87 1.84 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.60 7.81 141 L 7.77 3.97 0.00 1.82 1.92 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.06 3.76 2.04 0.00 0.00 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 1.47 0.63 0.95 0.00 0.00 143 K 8.36 3.96 0.00 1.88 2.05 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 144 K 8.02 4.04 0.00 2.09 2.08 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.26 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 145 M 8.48 4.28 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.83 0.00 146 G 8.34 3.69 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 0.00 0.00 0.00 147 D 8.01 4.37 0.00 2.80 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 0.00 148 H 7.96 4.22 0.00 3.32 3.19 0.00 5.63 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 0.00 149 L 8.26 4.00 0.00 1.85 1.75 0.97 0.65 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 0.00 150 T 8.09 3.88 4.37 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 1.21 0.00 0.00 151 N 8.02 4.56 0.00 2.97 2.86 0.00 0.00 6.94 6.18 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 0.00 152 L 8.40 4.06 0.00 1.79 1.75 0.88 1.26 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 0.00 153 H 8.70 4.30 0.00 3.24 3.44 0.00 5.58 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.46 4.03 0.00 2.07 2.12 0.00 3.31 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 155 L 7.57 4.39 0.00 1.90 1.69 0.91 0.86 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 0.00 156 G 7.67 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