NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4013 8.3344 115.4122 58.2988 64.4851 172.2438 3 S 4.5136 8.0015 114.7435 55.5573 63.7717 173.0803 4 Q 3.9617 8.6094 127.1157 58.4777 29.7770 176.7289 5 I 4.2418 7.4165 108.1467 60.3210 38.8694 175.7558 6 R 4.0014 7.2149 121.9839 56.2539 30.6704 175.5041 7 Q 4.2796 8.7779 121.7802 56.5576 31.8590 173.3177 8 N 4.0207 9.1088 121.9443 54.3573 37.5347 173.0342 9 Y 4.6074 7.3193 117.3876 55.4660 38.5093 175.9105 10 S 4.2392 8.0172 122.9046 58.1573 65.2502 175.0568 11 T 4.0471 8.2719 114.0690 64.2248 68.5951 176.5722 12 D 4.2297 7.7582 122.2693 57.2625 41.0100 178.4795 13 V 3.3903 7.1101 117.5165 65.9099 31.4523 177.3863 14 E 3.8217 7.4820 118.8183 59.5125 29.2807 178.8343 15 A 3.9631 7.7792 119.9334 54.9470 18.3926 179.5134 16 A 3.9653 7.8782 119.4444 55.0002 18.3424 180.1432 17 V 3.4829 8.2232 117.4106 66.2882 31.7864 178.0443 18 N 4.2673 7.9261 115.9777 56.2014 38.2987 177.3792 19 S 4.0798 8.0611 114.5802 61.4173 62.5658 176.0455 20 L 4.0927 8.1898 123.2230 57.9562 41.6837 179.0596 21 V 3.6901 8.0414 118.4986 66.0989 31.5184 177.5171 22 N 4.3395 8.1429 116.4459 56.7097 38.8895 176.5874 23 L 4.0855 8.0702 121.7658 58.2412 42.1355 178.5690 24 Y 4.0500 8.4814 117.0224 60.8644 37.8968 177.9145 25 L 4.1831 8.5647 120.4718 57.8478 41.6533 179.3884 26 Q 4.1184 8.2153 119.4536 58.9793 28.9899 177.9891 27 A 3.8080 7.9290 121.7791 54.9407 18.2470 179.4755 28 S 4.2335 8.7073 112.2140 61.6903 62.6252 175.8160 29 Y 4.4940 8.0975 122.1385 61.3524 38.5944 178.1410 30 T 3.8188 8.0079 116.5880 66.9062 68.4032 176.2837 31 Y 4.3489 7.8319 118.6115 60.7530 37.8753 178.0953 32 L 4.1999 7.9067 121.6862 58.1239 42.3015 179.0300 33 S 4.2552 8.0147 112.7668 61.3466 62.5189 176.0670 34 L 3.7723 7.9590 121.8492 57.6476 41.0431 179.4839 35 G 3.9430 8.2766 104.5374 48.3182 0.0000 175.3771 36 F 4.4204 8.3528 119.2973 59.5304 38.8299 177.3751 37 Y 4.2525 8.1591 119.8024 60.4661 38.6726 176.8186 38 F 4.2410 8.2686 116.0143 58.2150 38.9914 176.2192 39 D 4.6198 7.6278 117.7912 54.2942 41.9956 176.6930 40 R 4.0723 7.1348 119.3087 56.3149 30.6491 177.4069 41 D 4.1938 8.7101 121.1555 56.2844 39.4470 176.8881 42 D 4.6347 7.9555 116.5532 53.5376 39.9456 175.7734 43 V 3.9004 7.3648 116.6178 64.7132 33.7471 175.2702 44 A 3.8251 8.3756 119.3606 53.3776 16.0780 177.8345 45 L 4.7428 8.1195 120.9248 50.9134 42.9537 177.4231 46 E 4.0298 8.5396 123.5627 58.8879 29.8222 178.2215 47 G 3.5195 7.9631 105.3724 47.7716 0.0000 175.7595 48 V 3.3371 7.5607 120.7855 65.3760 31.7050 177.6290 49 S 4.3635 8.3304 113.2259 61.9893 62.2370 175.7437 50 H 4.0877 8.4305 120.7867 58.9506 29.6698 176.8011 51 F 3.9277 7.9447 122.4466 61.5639 39.2152 177.3181 52 F 3.8421 7.9031 116.6933 60.1445 38.2254 178.0262 53 R 3.9930 7.8671 117.7730 58.9610 29.7515 178.8787 54 E 3.8283 7.8188 118.5944 59.2049 29.3699 179.2082 55 L 3.5923 7.1863 118.3594 57.5096 41.5487 179.3691 56 A 4.2249 7.9349 120.7236 55.2727 18.4132 179.1322 57 E 4.0474 7.8473 116.6705 58.6761 29.5926 178.6729 58 E 3.9950 7.9634 119.0646 59.2026 29.5787 179.1495 59 K 4.3098 8.4854 118.8582 59.0941 32.0845 179.5384 60 R 2.8987 7.7232 118.7771 59.2411 29.9798 178.5054 61 E 4.0603 8.0395 117.8905 58.6405 29.2820 179.6098 62 G 3.7998 7.7276 106.5871 47.9718 0.0000 175.5945 63 Y 4.3359 8.1166 120.7925 59.0183 38.0976 177.9548 64 E 4.2323 8.0217 121.2014 59.2525 29.5882 178.9167 65 R 4.0918 7.9689 119.0564 59.0703 30.0982 178.5330 66 L 4.1505 8.2634 119.0896 57.9841 41.7521 179.5422 67 L 4.0599 8.0764 118.6523 57.4330 41.3083 179.5372 68 K 3.9712 8.0153 119.6870 59.6646 32.1655 178.6199 69 M 3.8550 8.2175 118.5679 58.4105 31.6710 177.6275 70 Q 3.8105 8.0436 119.8510 59.6424 29.0947 178.6528 71 N 4.3277 7.9497 116.4488 56.2153 38.2628 177.4855 72 Q 4.0504 7.3963 118.9339 58.3239 28.6202 177.7996 73 R 3.9222 7.6324 117.3884 56.1645 30.0759 178.0095 74 G 3.8945 7.3881 106.6181 44.8835 0.0000 174.2514 75 G 4.0537 6.9291 107.6299 45.0689 0.0000 172.9523 76 R 4.4912 8.8165 118.6335 53.7212 32.4343 176.0885 77 A 4.1803 8.4385 126.0620 51.7454 18.9942 176.5032 78 L 4.4451 8.1718 122.8487 52.7420 44.4516 176.2796 79 F 4.9767 8.3623 122.0254 56.1232 40.6913 174.7558 80 Q 4.7617 8.2764 121.2076 53.5281 32.4992 174.9028 81 D 4.3573 8.5422 118.4802 54.8902 41.1881 176.8086 82 I 4.2592 7.9264 123.6008 59.2841 37.3654 175.9501 83 K 4.1739 8.5203 125.7966 55.7818 32.5308 177.6410 84 K 4.2624 8.5539 121.9258 56.0236 32.5059 174.9475 85 P 4.3492 0.0000 0.0000 62.6575 31.8007 177.6176 86 A 4.1658 8.7270 123.1804 54.7316 18.4982 177.1647 87 E 4.3166 6.8260 113.6340 54.9472 33.6108 174.6638 88 D 4.5006 7.9121 118.0798 54.7277 42.5332 177.2284 89 E 3.8429 7.1099 116.7759 54.1553 32.4564 175.3182 90 W 4.4769 6.1866 121.9466 55.8357 30.4155 177.5189 91 G 3.8210 6.8927 109.2848 47.3605 0.0000 177.4513 92 K 4.7197 8.7480 124.8781 54.4622 35.1160 176.6795 93 T 4.1270 8.6874 117.0249 67.0414 68.2541 174.9198 94 P 4.3670 0.0000 0.0000 65.5432 31.4209 178.5380 95 D 4.4011 8.2087 117.0981 57.4864 40.9475 178.4686 96 A 4.2030 8.4507 121.3097 55.4839 18.3670 179.3731 97 M 4.3332 8.4640 116.7525 58.6313 32.2319 178.6706 98 K 4.0806 8.0565 118.5425 59.2066 32.2345 179.1804 99 A 4.0676 8.2008 120.8591 55.0205 18.2814 179.6024 100 A 4.1120 8.2535 119.4566 55.5077 18.5950 179.4691 101 M 4.0271 8.3521 116.6461 58.9292 32.3419 178.3993 102 A 4.0824 8.3416 120.9634 54.8632 18.5039 179.4052 103 L 3.9031 8.0462 119.1761 58.3280 42.1635 179.1100 104 E 4.0275 8.3391 118.6786 59.2343 29.3357 179.3960 105 K 4.0311 8.0698 118.5547 59.2641 32.1042 179.2463 106 K 3.9267 8.0495 119.8732 59.4805 32.1166 178.8756 107 L 3.9650 7.8990 119.2205 57.9049 41.5793 179.0081 108 N 4.4066 8.7294 117.3616 56.6492 38.8371 176.7049 109 Q 3.9629 8.4809 121.1240 59.1556 29.2159 178.0432 110 A 4.3168 8.0168 123.1445 54.5760 18.3773 179.6855 111 L 4.0143 8.0145 117.7077 57.9835 41.7404 179.6710 112 L 4.0965 8.1761 118.9924 57.6494 41.5058 179.3717 113 D 4.3474 8.2534 118.9870 57.4203 40.8545 178.5809 114 L 4.0770 8.0629 120.7725 58.3501 41.9769 178.4974 115 H 4.1949 8.4903 118.2155 58.9671 29.8683 177.1460 116 A 4.0245 8.1789 122.8345 55.1109 18.3618 179.4219 117 L 4.0567 8.4054 119.3305 58.0006 42.0183 179.4681 118 G 3.5829 8.1487 106.0487 47.7061 0.0000 176.0070 119 S 4.0809 8.2551 117.4448 61.2786 62.6287 176.6002 120 A 4.0375 7.6937 122.1831 55.0205 18.1984 178.9845 121 R 4.2096 7.6761 113.2759 55.0466 31.5133 177.0600 122 T 3.5247 7.2605 108.0720 63.1454 68.1184 173.5177 123 D 4.8867 8.1940 123.0273 51.6519 41.4260 174.0183 124 P 4.3388 0.0000 0.0000 65.4489 31.3104 178.1105 125 H 4.1343 8.1876 117.7323 59.2279 30.0952 176.8556 126 L 4.0809 7.9834 121.6000 58.2328 41.8526 178.7499 127 C 4.1709 8.0992 116.7340 62.9243 28.0597 175.6040 128 D 4.3742 8.3942 119.7608 57.0756 40.8749 177.8482 129 F 4.1443 8.6078 121.6497 61.3604 39.3668 177.2066 130 L 4.1625 8.1427 118.1031 57.9077 41.2798 179.1009 131 E 3.9968 7.9872 117.1553 59.8773 29.5166 179.4816 132 T 3.8875 7.8809 114.0498 66.5917 68.7316 175.7939 133 H 4.5272 7.6048 113.8981 55.3385 30.0246 174.7781 134 F 4.7293 8.1056 117.8611 58.8835 41.3541 177.4307 135 L 4.0808 8.1758 119.9001 58.0715 41.4081 179.0485 136 D 4.4113 8.0607 117.1985 57.0077 41.2332 177.9482 137 E 3.9818 8.0944 119.0396 59.2962 29.4560 178.9349 138 E 4.0232 8.2021 118.3215 59.2647 29.5711 179.4451 139 V 3.6042 7.6429 117.9305 65.9439 31.6055 178.2184 140 K 3.9500 8.0393 118.1628 59.4607 31.9410 179.1521 141 L 3.9877 7.8912 120.5346 58.2483 42.0045 179.0963 142 I 3.8154 8.2625 120.3186 64.0224 37.1119 178.3504 143 K 3.9235 8.2354 120.6979 59.2487 32.1027 178.7601 144 K 3.8500 8.1511 119.9022 59.9674 32.1794 178.7697 145 M 4.2907 8.3427 118.9481 58.0817 31.7996 179.0881 146 G 3.5945 8.0423 106.2539 47.7583 0.0000 175.5464 147 D 4.3223 7.9237 121.1819 57.3931 40.8604 178.4088 148 H 4.1160 7.8559 116.4679 59.0755 28.6635 177.7808 149 L 4.0292 7.9589 120.4680 58.1939 41.1413 179.8026 150 T 3.8737 8.0576 115.6592 66.6976 68.1363 176.5736 151 N 4.4149 8.4327 117.9894 55.9356 38.9447 177.3403 152 L 4.1284 8.5712 120.9951 58.0728 41.5641 178.9857 153 H 4.2170 8.2891 116.9134 58.8820 29.7964 176.8969 154 R 4.1037 7.4876 119.7356 58.6984 29.9828 176.5292 155 L 4.3271 7.5487 122.2468 54.8729 41.9087 176.4010 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 8.33 4.40 0.00 4.00 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 3 S 8.00 4.51 0.00 4.04 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 3.96 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 5 I 7.42 4.24 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 0.88 0.00 0.00 6 R 7.21 4.00 0.00 1.75 1.99 0.00 3.21 0.00 0.00 3.05 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 7 Q 8.78 4.28 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 8 N 9.11 4.02 0.00 2.89 2.90 0.00 0.00 6.99 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 7.32 4.61 0.00 2.91 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 8.02 4.24 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.27 4.05 4.18 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 1.21 0.00 0.00 12 D 7.76 4.23 0.00 2.65 2.67 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 13 V 7.11 3.39 1.69 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 0.81 0.00 0.00 0.81 0.00 0.00 14 E 7.48 3.82 0.00 1.76 1.94 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 2.28 2.64 0.00 15 A 7.78 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.88 3.97 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 17 V 8.22 3.48 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.01 0.00 0.00 18 N 7.93 4.27 0.00 2.84 2.78 0.00 0.00 6.70 8.42 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 19 S 8.06 4.08 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 20 L 8.19 4.09 0.00 1.94 1.79 1.10 0.90 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 21 V 8.04 3.69 2.34 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 1.21 0.00 0.00 1.02 0.00 0.00 22 N 8.14 4.34 0.00 2.90 3.00 0.00 0.00 6.92 6.02 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 23 L 8.07 4.09 0.00 1.91 1.96 0.95 1.05 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 24 Y 8.48 4.05 0.00 3.51 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 25 L 8.56 4.18 0.00 1.83 1.59 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.22 4.12 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 27 A 7.93 3.81 1.24 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 0.00 0.00 28 S 8.71 4.23 0.00 4.27 4.29 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 29 Y 8.10 4.49 0.00 3.25 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 30 T 8.01 3.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 31 Y 7.83 4.35 0.00 3.22 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 32 L 7.91 4.20 0.00 1.96 2.16 1.28 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.01 4.26 0.00 3.98 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 0.00 34 L 7.96 3.77 0.00 1.41 0.65 0.21 -0.55 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 8.28 3.94 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 0.00 0.00 0.00 36 F 8.35 4.42 0.00 3.44 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 37 Y 8.16 4.25 0.00 3.29 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 38 F 8.27 4.24 0.00 3.27 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 7.63 4.62 0.00 2.63 2.99 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 40 R 7.13 4.07 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 41 D 8.71 4.19 0.00 2.78 2.82 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 0.00 0.00 0.00 42 D 7.96 4.63 0.00 2.79 2.79 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 43 V 7.36 3.90 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 0.35 0.00 0.00 44 A 8.38 3.83 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 8.12 4.74 0.00 1.91 1.61 1.14 0.73 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 46 E 8.54 4.03 0.00 2.04 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 2.38 2.39 0.00 47 G 7.96 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 48 V 7.56 3.34 1.83 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 0.22 0.00 0.00 0.70 0.00 0.00 49 S 8.33 4.36 0.00 4.11 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 0.00 50 H 8.43 4.09 0.00 3.33 3.42 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 7.94 3.93 0.00 2.96 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 52 F 7.90 3.84 0.00 3.26 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 53 R 7.87 3.99 0.00 1.88 1.87 0.00 2.76 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 54 E 7.82 3.83 0.00 1.86 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 2.11 2.23 0.00 55 L 7.19 3.59 0.00 0.79 0.32 -0.24 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.93 4.22 1.55 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 0.00 0.00 57 E 7.85 4.05 0.00 2.22 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 0.00 2.28 2.35 0.00 58 E 7.96 4.00 0.00 2.19 1.94 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 2.24 2.42 0.00 59 K 8.49 4.31 0.00 2.10 2.08 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.96 1.82 7.81 60 R 7.72 2.90 0.00 1.95 2.00 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 0.00 61 E 8.04 4.06 0.00 2.16 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 0.00 2.26 2.37 0.00 62 G 7.73 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 63 Y 8.12 4.34 0.00 3.30 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 64 E 8.02 4.23 0.00 2.03 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 2.49 2.23 0.00 65 R 7.97 4.09 0.00 1.96 2.25 0.00 2.70 0.00 0.00 2.68 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.73 0.00 66 L 8.26 4.15 0.00 2.02 1.73 0.56 0.53 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 67 L 8.08 4.06 0.00 2.02 1.85 1.28 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.02 3.97 0.00 2.18 2.06 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 69 M 8.22 3.86 0.00 1.68 1.36 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 2.22 0.00 70 Q 8.04 3.81 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 71 N 7.95 4.33 0.00 2.97 2.82 0.00 0.00 7.12 7.84 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 72 Q 7.40 4.05 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 73 R 7.63 3.92 0.00 0.67 0.66 0.00 2.88 0.00 0.00 2.59 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.12 0.00 74 G 7.39 3.89 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 0.00 75 G 6.93 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.82 4.49 0.00 1.72 1.77 0.00 3.30 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 77 A 8.44 4.18 0.93 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 78 L 8.17 4.45 0.00 1.48 1.45 0.87 0.81 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 79 F 8.36 4.98 0.00 3.05 2.86 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 0.00 0.00 0.00 0.00 80 Q 8.28 4.76 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 81 D 8.54 4.36 0.00 2.68 2.61 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 0.00 0.00 0.00 0.00 82 I 7.93 4.26 1.67 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.42 0.86 0.00 0.00 83 K 8.52 4.17 0.00 1.96 1.80 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 84 K 8.55 4.26 0.00 1.82 1.93 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.45 7.81 85 P 0.00 4.35 0.00 2.34 2.25 0.00 3.29 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 86 A 8.73 4.17 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 87 E 6.83 4.32 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 1.63 1.76 0.00 88 D 7.91 4.50 0.00 2.41 2.53 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 0.00 0.00 0.00 0.00 89 E 7.11 3.84 0.00 1.62 1.59 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 2.22 2.15 0.00 90 W 6.19 4.48 0.00 2.90 3.12 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 0.00 0.00 0.00 91 G 6.89 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.75 4.72 0.00 2.09 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.55 7.81 93 T 8.69 4.13 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 1.15 0.00 0.00 94 P 0.00 4.37 0.00 2.23 2.16 0.00 3.65 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 8.21 4.40 0.00 3.16 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 96 A 8.45 4.20 1.73 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 0.00 0.00 97 M 8.46 4.33 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 98 K 8.06 4.08 0.00 2.08 1.91 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.70 7.81 99 A 8.20 4.07 1.52 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 0.00 100 A 8.25 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.35 4.03 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 102 A 8.34 4.08 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 8.05 3.90 0.00 1.82 1.85 0.80 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.34 4.03 0.00 2.24 2.15 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 2.72 2.59 0.00 105 K 8.07 4.03 0.00 2.00 1.88 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.62 7.81 106 K 8.05 3.93 0.00 1.95 2.01 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 107 L 7.90 3.97 0.00 1.91 1.64 0.59 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.73 4.41 0.00 2.92 3.00 0.00 0.00 6.91 7.21 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 0.00 109 Q 8.48 3.96 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 110 A 8.02 4.32 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 0.00 111 L 8.01 4.01 0.00 2.02 1.80 1.18 0.51 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 0.00 112 L 8.18 4.10 0.00 1.88 1.74 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.25 4.35 0.00 2.97 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 0.00 114 L 8.06 4.08 0.00 1.87 1.84 0.90 0.78 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 0.00 115 H 8.49 4.19 0.00 3.38 3.47 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 0.00 116 A 8.18 4.02 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 0.00 117 L 8.41 4.06 0.00 1.74 1.83 0.89 1.21 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 0.00 118 G 8.15 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 0.00 119 S 8.26 4.08 0.00 4.00 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 0.00 120 A 7.69 4.04 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 7.68 4.21 0.00 1.80 1.93 0.00 3.42 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 122 T 7.26 3.52 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 0.00 123 D 8.19 4.89 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 125 H 8.19 4.13 0.00 3.25 3.52 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.98 4.08 0.00 1.94 1.86 0.98 1.05 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 0.00 127 C 8.10 4.17 0.00 3.24 2.99 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 0.00 128 D 8.39 4.37 0.00 2.87 2.86 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 0.00 0.00 0.00 0.00 129 F 8.61 4.14 0.00 3.10 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 0.00 130 L 8.14 4.16 0.00 2.07 1.83 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.99 4.00 0.00 2.14 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 2.39 2.67 0.00 132 T 7.88 3.89 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 0.90 0.00 0.00 133 H 7.60 4.53 0.00 2.42 2.55 0.00 5.59 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.11 4.73 0.00 3.16 3.07 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 0.00 135 L 8.18 4.08 0.00 1.72 1.75 0.92 1.02 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 0.00 136 D 8.06 4.41 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 0.00 137 E 8.09 3.98 0.00 2.21 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 2.29 2.30 0.00 138 E 8.20 4.02 0.00 2.25 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 2.67 2.60 0.00 139 V 7.64 3.60 2.22 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 1.04 0.00 0.00 1.01 0.00 0.00 140 K 8.04 3.95 0.00 2.00 1.83 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.63 7.81 141 L 7.89 3.99 0.00 1.93 1.86 0.85 1.23 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 0.00 142 I 8.26 3.82 1.90 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 0.71 0.94 0.00 0.00 143 K 8.24 3.92 0.00 1.92 2.06 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 144 K 8.15 3.85 0.00 1.99 2.02 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.44 7.81 145 M 8.34 4.29 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.76 0.00 146 G 8.04 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 0.00 147 D 7.92 4.32 0.00 2.75 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 0.00 148 H 7.86 4.12 0.00 3.24 3.16 0.00 5.62 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 7.96 4.03 0.00 1.88 1.74 0.97 0.75 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 0.00 150 T 8.06 3.87 4.35 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 1.20 0.00 0.00 151 N 8.43 4.41 0.00 2.84 2.86 0.00 0.00 7.09 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 0.00 152 L 8.57 4.13 0.00 1.80 1.72 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.29 4.22 0.00 3.24 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.49 4.10 0.00 1.93 2.11 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 155 L 7.55 4.33 0.00 1.79 1.55 0.90 0.83 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