NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3103 8.2931 118.1912 54.8794 33.2204 174.7844 2 G 3.8252 8.1039 108.6182 44.9788 0.0000 171.3525 3 H 4.5091 8.1821 121.0676 54.8528 30.5756 173.9814 4 H 4.3384 8.4204 118.0971 56.3014 26.2967 174.7637 5 H 4.2236 8.0684 125.8590 57.8556 30.5356 174.8071 6 H 4.7377 7.6947 118.3604 54.7058 31.6113 172.4250 7 H 4.1928 8.5702 127.6403 54.0254 29.6388 178.5831 8 H 3.7488 7.8543 114.2850 56.0594 31.3495 174.9396 9 S 4.5499 6.5479 114.7657 57.4209 67.2199 173.9775 10 H 4.6916 8.1526 117.4518 54.8740 31.9355 172.9834 11 M 4.0633 8.7291 117.3076 55.3334 31.3278 173.6859 12 P 4.0556 0.0000 0.0000 62.9570 31.6498 175.9456 13 D 4.7556 8.5849 123.0376 54.4357 41.4765 176.3943 14 H 4.5794 9.0037 117.3290 56.9068 29.2314 175.5599 15 G 4.3141 8.4230 103.9194 45.0985 0.0000 173.5632 16 D 4.7678 8.3221 117.8576 53.5045 41.2353 175.9224 17 W 4.5060 8.1369 120.2366 55.0624 29.3851 176.6458 18 T 4.3072 8.4028 115.1957 61.0624 67.2658 173.0567 19 Y 4.9229 8.1047 128.7472 55.9530 42.1204 175.0846 20 E 4.2811 7.4526 121.8574 56.4981 29.7567 175.8138 21 E 4.3697 7.9710 121.2517 55.3982 30.3706 175.6868 22 Q 4.0715 8.7238 125.7226 56.1784 28.9890 177.1843 23 F 4.2735 8.8528 126.4475 58.6167 37.2846 174.9974 24 K 4.1900 8.1309 125.8756 58.4524 32.2819 177.2541 25 Q 4.0629 7.9773 119.8850 59.4433 28.5296 178.2469 26 L 4.0696 7.7254 118.5057 58.3164 41.5928 178.9249 27 Y 4.2384 7.9594 115.9656 60.7662 37.7797 177.0402 28 E 4.3622 8.2050 116.6518 56.9614 29.7351 178.4545 29 L 4.1493 7.6151 120.1589 57.3566 41.8381 177.0925 30 D 4.5536 7.8130 114.9719 54.1179 43.1308 176.8317 31 G 3.8859 7.8009 104.0003 45.7706 0.0000 172.4207 32 D 4.7527 7.5163 119.1765 51.8149 43.0429 175.0187 33 P 4.2663 0.0000 0.0000 66.5788 30.9596 178.8497 34 K 4.1027 8.4948 118.2618 58.6802 31.7711 179.3036 35 R 2.9799 7.8018 119.4430 59.0819 30.0437 178.7689 36 K 4.3182 7.9637 118.1479 59.9838 32.6761 178.5290 37 E 3.9679 8.1801 119.4543 59.2168 29.4145 178.8797 38 F 3.9586 8.2691 120.1336 61.3591 39.4202 177.0463 39 L 3.1577 7.6777 117.9664 57.6338 41.4061 179.1596 40 D 4.3280 8.0340 117.6519 57.4490 41.2523 177.6731 41 D 4.3100 8.1456 118.8039 57.0567 41.0865 177.9602 42 L 3.4192 7.4298 121.1291 57.9960 42.0951 178.7850 43 F 4.5262 7.5646 117.7347 60.9293 38.8873 177.9323 44 S 4.1926 8.2418 114.5306 61.5181 62.7833 176.4305 45 F 4.1622 8.3192 123.4737 61.6947 39.2201 177.1364 46 M 4.1020 8.6830 116.9700 58.2751 30.9529 178.2583 47 Q 3.9390 8.1035 120.5749 58.9154 29.0091 178.0871 48 K 3.8499 7.8224 118.8686 59.2695 32.1795 177.7593 49 R 4.1929 7.3478 111.4958 55.5916 29.6817 176.1651 50 G 3.6810 8.7775 104.6699 46.5654 0.0000 176.1363 51 T 4.4799 7.6869 109.2906 60.8142 69.6434 170.4857 52 P 4.6197 0.0000 0.0000 61.2838 34.2564 175.7260 53 V 4.4087 8.1057 119.0862 61.9244 31.5661 175.7534 54 N 4.6081 8.9130 125.7032 54.5965 38.0387 175.2956 55 R 4.6509 7.4563 114.6705 53.6262 32.4777 174.0329 56 I 3.9129 7.9285 121.5649 59.5240 38.2972 174.0440 57 P 4.4216 0.0000 0.0000 63.1930 32.3770 175.0452 58 I 4.9293 8.2991 122.2020 59.8902 39.9584 174.8183 59 M 4.5692 8.7065 124.4873 54.7390 34.7127 175.1410 60 A 3.4795 9.5286 128.8567 53.3841 16.2002 177.8204 61 K 4.1359 7.8974 116.5752 58.1022 30.9445 176.2058 62 Q 4.7857 7.6764 117.5588 53.6288 30.9756 175.5296 63 V 3.9180 8.1433 118.8155 61.3849 32.0441 176.4290 64 L 4.0888 8.0486 124.6609 54.7720 40.5732 175.9589 65 D 4.6176 8.4855 126.1087 53.9855 39.9950 176.4178 66 L 4.0711 8.4124 124.6244 57.7837 41.8978 178.6883 67 F 3.9927 8.3503 119.6613 61.7203 39.3746 176.9355 68 M 4.1417 8.2482 117.6982 58.1769 31.8839 178.1167 69 L 4.0035 8.5073 120.9397 58.5551 41.7950 178.3763 70 Y 4.3464 8.2532 119.2130 60.7256 38.7239 178.1331 71 V 3.3898 7.5651 118.9766 66.1467 31.7669 178.0616 72 L 3.8945 7.8914 118.5228 57.6128 41.4069 179.8298 73 V 3.2897 7.6485 118.4373 66.0119 31.4424 178.2658 74 T 3.6769 7.6800 109.9437 64.6218 68.3213 176.2942 75 E 3.9519 7.7716 118.5514 58.2973 29.7527 177.8626 76 K 4.0151 7.2237 116.8154 56.4276 32.4128 176.6117 77 G 3.4734 8.2376 106.4016 44.2791 0.0000 173.3742 78 G 3.7807 8.3556 106.9952 43.9037 0.0000 174.4728 79 L 3.8612 9.1808 119.9694 58.6375 41.8404 179.2805 80 V 3.6666 7.8903 117.7479 65.9042 31.4603 177.5304 81 E 3.8622 8.1838 118.5044 59.4972 29.5927 178.7628 82 V 3.2426 7.7034 118.0946 66.0046 31.1434 178.0273 83 I 4.0870 7.7541 118.6461 64.6421 37.0812 177.9833 84 N 4.5368 8.3916 116.4869 55.6142 38.5641 176.9368 85 K 4.1801 8.2668 119.2301 55.9874 32.4891 177.9455 86 K 4.0847 7.6678 117.0875 57.2732 30.4742 175.5275 87 L 4.6372 7.2192 118.5206 56.0653 41.0286 178.5616 88 W 4.1885 8.0842 122.4384 60.2913 28.8629 177.9361 89 R 3.9867 8.2896 115.9684 59.6700 28.4829 178.5694 90 E 4.0103 8.6379 119.4110 59.0060 29.1204 179.3478 91 I 3.6839 7.5666 119.7071 64.4078 37.2235 178.2053 92 T 3.9708 8.1707 110.7374 65.0237 68.5016 176.2388 93 K 4.0089 8.0191 122.9782 58.7888 31.9531 178.8814 94 G 3.6927 8.2367 105.1035 46.8281 0.0000 174.5941 95 L 4.5747 7.1240 117.7297 53.7323 41.9379 175.9926 96 N 4.2686 7.9373 115.5175 54.3653 37.9403 173.8397 97 L 4.4009 8.0201 116.2910 52.5690 42.8914 174.9015 98 P 4.4267 0.0000 0.0000 62.5420 31.5688 177.0019 99 T 4.0820 8.5125 117.9747 63.4957 67.4447 174.7832 100 S 4.2975 7.9463 114.5799 61.3068 63.1617 174.3515 101 I 3.7229 7.6303 121.9474 61.7250 36.6181 175.8548 102 T 3.5747 8.0704 121.7931 66.1860 68.9463 175.1276 103 S 4.7398 7.5805 113.4878 58.1866 64.6918 176.2169 104 A 3.8666 7.4238 124.4832 56.4824 18.1644 179.8492 105 A 3.6031 7.9710 118.3023 55.3827 18.3952 179.5005 106 F 3.9213 7.8962 118.3684 61.3386 39.4753 177.5850 107 T 3.6517 8.2925 115.7809 66.5028 68.2353 176.6306 108 L 3.8992 7.7951 121.0830 57.8284 41.4604 179.4725 109 R 3.6033 6.7120 118.3015 59.5342 29.7808 178.7547 110 T 3.7377 7.3538 115.2860 66.6484 68.5349 176.9023 111 Q 4.1369 8.2014 120.0695 59.0926 28.6873 178.1242 112 Y 4.2197 8.5154 120.9415 61.2469 38.6669 177.7675 113 M 4.0356 7.7974 117.4287 58.7888 32.2542 178.2098 114 K 3.9702 7.8920 117.3376 59.3315 32.3806 178.2264 115 Y 4.5683 7.9794 114.5925 58.8109 39.4323 176.7942 116 L 4.5098 7.7596 123.3474 53.3078 41.1987 174.3954 117 Y 4.9402 8.1193 123.0430 56.9754 46.7015 174.9298 118 P 4.4327 0.0000 0.0000 66.0779 30.8454 177.6152 119 Y 3.6287 8.1333 119.3407 60.4685 38.8151 177.1810 120 E 4.1529 8.2874 119.6101 59.0642 29.7257 178.6324 121 C 4.0444 7.7198 119.1371 61.6759 31.4565 175.0526 122 E 3.8717 7.8608 120.2913 59.2849 29.4762 178.5521 123 K 3.9462 7.7550 117.2401 58.3977 32.1700 178.0685 124 R 4.3061 7.7775 115.8776 55.8176 32.1628 176.4652 125 G 4.0378 8.3120 104.7737 46.2378 0.0000 175.3849 126 L 4.0787 8.1468 119.7871 57.0059 41.9629 177.7521 127 S 5.0983 7.6621 111.6762 55.6809 66.3308 173.1566 128 N 5.1790 8.7125 120.2122 50.7719 40.6095 174.4226 129 P 4.3726 0.0000 0.0000 66.0715 30.9664 178.4223 130 N 4.4900 8.1758 116.4491 56.2293 38.2751 176.8090 131 E 4.0004 8.2408 118.4780 59.3242 29.4317 178.5141 132 L 4.0146 8.0427 121.2568 58.3196 42.0330 178.7933 133 Q 3.9427 7.8139 118.3811 59.1621 28.9694 178.0898 134 A 3.9722 8.0544 121.0210 55.0076 18.4557 179.1018 135 A 3.9827 8.1627 119.2182 55.5357 18.4305 179.8849 136 I 3.7108 7.9427 118.1317 64.6689 37.2409 178.1989 137 D 4.3302 8.3849 118.9802 57.5600 40.8198 178.4105 138 S 4.1920 8.0657 114.6547 61.7516 62.9525 176.1879 139 N 4.5664 8.2522 119.2363 56.1136 38.0629 177.7498 140 R 3.8883 7.9948 119.2010 59.2164 30.2814 178.8417 141 R 4.1881 7.8956 116.9485 57.8971 30.9734 176.8975 142 E 4.3164 7.5303 118.9554 54.9567 27.9349 174.7382 143 G 4.1245 7.8633 113.1109 45.6143 0.0000 171.1719 144 R 4.6638 7.6951 114.4701 53.3688 32.5425 175.7486 145 R 4.1548 8.3631 115.5583 56.5254 30.2369 176.7367 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 8.29 4.31 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 2 G 8.10 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 3 H 8.18 4.51 0.00 3.13 3.15 0.00 5.91 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.42 4.34 0.00 3.27 3.58 0.00 5.52 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.07 4.22 0.00 3.16 3.31 0.00 5.72 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 6 H 7.69 4.74 0.00 3.26 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.57 4.19 0.00 3.13 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 7.85 3.75 0.00 3.35 3.27 0.00 5.62 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 9 S 6.55 4.55 0.00 3.85 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 10 H 8.15 4.69 0.00 3.06 3.20 0.00 5.71 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 11 M 8.73 4.06 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 12 P 0.00 4.06 0.00 2.01 1.65 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 13 D 8.58 4.76 0.00 2.80 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 14 H 9.00 4.58 0.00 3.20 3.41 0.00 5.67 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 15 G 8.42 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 0.00 0.00 0.00 0.00 16 D 8.32 4.77 0.00 2.39 2.45 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 17 W 8.14 4.51 0.00 3.21 3.19 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 18 T 8.40 4.31 4.30 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 1.24 0.00 0.00 19 Y 8.10 4.92 0.00 3.04 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 20 E 7.45 4.28 0.00 1.92 1.79 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 1.47 1.73 0.00 21 E 7.97 4.37 0.00 2.38 2.13 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 2.32 2.35 0.00 22 Q 8.72 4.07 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.17 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 23 F 8.85 4.27 0.00 3.07 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 24 K 8.13 4.19 0.00 2.01 1.80 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.75 1.55 7.81 25 Q 7.98 4.06 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.65 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 26 L 7.73 4.07 0.00 1.55 1.59 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.96 4.24 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.21 4.36 0.00 2.09 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 2.38 2.62 0.00 29 L 7.62 4.15 0.00 1.60 1.72 1.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.81 4.55 0.00 2.41 2.47 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 0.00 0.00 0.00 0.00 31 G 7.80 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 32 D 7.52 4.75 0.00 2.86 2.42 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 33 P 0.00 4.27 0.00 2.32 2.34 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 34 K 8.49 4.10 0.00 2.01 2.10 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.60 7.81 35 R 7.80 2.98 0.00 1.51 1.94 0.00 2.93 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 36 K 7.96 4.32 0.00 2.23 2.28 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 37 E 8.18 3.97 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 38 F 8.27 3.96 0.00 3.25 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 39 L 7.68 3.16 0.00 1.38 1.01 0.50 1.44 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 40 D 8.03 4.33 0.00 3.02 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 41 D 8.15 4.31 0.00 2.86 2.47 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 0.00 0.00 0.00 0.00 42 L 7.43 3.42 0.00 0.29 0.87 0.42 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.56 4.53 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.24 4.19 0.00 3.97 3.98 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 45 F 8.32 4.16 0.00 3.30 3.32 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 46 M 8.68 4.10 0.00 2.38 2.56 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.93 0.00 47 Q 8.10 3.94 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 48 K 7.82 3.85 0.00 1.78 1.78 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.68 7.81 49 R 7.35 4.19 0.00 1.85 1.78 0.00 2.99 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 50 G 8.78 3.68 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 0.00 0.00 0.00 51 T 7.69 4.48 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 1.19 0.00 0.00 52 P 0.00 4.62 0.00 2.22 2.09 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 53 V 8.11 4.41 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 0.64 0.00 0.00 1.01 0.00 0.00 54 N 8.91 4.61 0.00 2.89 2.94 0.00 0.00 6.09 7.69 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 55 R 7.46 4.65 0.00 1.94 1.93 0.00 3.23 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 56 I 7.93 3.91 1.15 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.03 0.54 0.00 0.00 57 P 0.00 4.42 0.00 2.09 2.18 0.00 3.25 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 58 I 8.30 4.93 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 1.04 0.00 0.00 59 M 8.71 4.57 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 60 A 9.53 3.48 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 61 K 7.90 4.14 0.00 1.98 2.02 0.00 1.77 0.00 0.00 1.96 0.00 0.00 3.14 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.40 1.55 7.81 62 Q 7.68 4.79 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.20 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 63 V 8.14 3.92 2.41 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 0.86 0.00 0.00 0.80 0.00 0.00 64 L 8.05 4.09 0.00 1.72 1.67 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.49 4.62 0.00 2.81 2.74 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 66 L 8.41 4.07 0.00 1.79 1.85 0.93 0.92 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 67 F 8.35 3.99 0.00 3.09 3.02 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 68 M 8.25 4.14 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.69 0.00 69 L 8.51 4.00 0.00 1.95 2.08 1.08 1.19 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 70 Y 8.25 4.35 0.00 3.31 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 71 V 7.57 3.39 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 0.94 0.00 0.00 0.57 0.00 0.00 72 L 7.89 3.89 0.00 1.63 1.59 0.93 0.75 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 73 V 7.65 3.29 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 0.53 0.00 0.00 0.33 0.00 0.00 74 T 7.68 3.68 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 0.32 0.00 0.00 75 E 7.77 3.95 0.00 2.05 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 2.40 2.19 0.00 76 K 7.22 4.02 0.00 1.82 1.71 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.32 7.81 77 G 8.24 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.36 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 0.00 0.00 0.00 79 L 9.18 3.86 0.00 2.58 2.18 1.37 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.89 3.67 2.28 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 1.10 0.00 0.00 1.11 0.00 0.00 81 E 8.18 3.86 0.00 2.08 2.05 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 2.49 2.34 0.00 82 V 7.70 3.24 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 -0.73 0.00 0.00 0.55 0.00 0.00 83 I 7.75 4.09 2.16 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.22 1.13 0.00 0.00 84 N 8.39 4.54 0.00 2.82 2.89 0.00 0.00 7.09 7.19 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 85 K 8.27 4.18 0.00 1.65 1.78 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.51 7.81 86 K 7.67 4.08 0.00 2.03 1.97 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.41 1.55 7.81 87 L 7.22 4.64 0.00 1.94 1.80 0.81 0.97 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 88 W 8.08 4.19 0.00 3.44 3.32 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 89 R 8.29 3.99 0.00 2.07 2.27 0.00 2.98 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 90 E 8.64 4.01 0.00 1.95 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 2.44 2.44 0.00 91 I 7.57 3.68 2.21 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 1.01 0.00 0.00 92 T 8.17 3.97 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 1.34 0.00 0.00 93 K 8.02 4.01 0.00 2.01 1.86 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.52 7.81 94 G 8.24 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 95 L 7.12 4.57 0.00 1.82 1.74 1.00 1.06 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 96 N 7.94 4.27 0.00 2.87 2.91 0.00 0.00 7.10 7.30 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 97 L 8.02 4.40 0.00 1.72 1.60 0.97 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 98 P 0.00 4.43 0.00 2.24 2.21 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 99 T 8.51 4.08 4.28 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 1.24 0.00 0.00 100 S 7.95 4.30 0.00 3.90 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 0.00 101 I 7.63 3.72 1.87 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 1.32 0.86 0.90 0.00 0.00 102 T 8.07 3.57 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 1.16 0.00 0.00 103 S 7.58 4.74 0.00 4.11 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 0.00 104 A 7.42 3.87 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 0.00 105 A 7.97 3.60 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 0.00 106 F 7.90 3.92 0.00 2.98 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 0.00 107 T 8.29 3.65 4.27 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 1.17 0.00 0.00 108 L 7.80 3.90 0.00 1.17 1.76 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 109 R 6.71 3.60 0.00 0.87 1.54 0.00 3.09 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 110 T 7.35 3.74 4.11 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 1.08 0.00 0.00 111 Q 8.20 4.14 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 112 Y 8.52 4.22 0.00 3.31 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 0.00 113 M 7.80 4.04 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 114 K 7.89 3.97 0.00 1.85 1.41 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.63 7.81 115 Y 7.98 4.57 0.00 2.93 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 0.00 116 L 7.76 4.51 0.00 0.94 1.40 1.26 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.12 4.94 0.00 2.98 2.97 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 0.00 118 P 0.00 4.43 0.00 2.70 2.49 0.00 3.95 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 119 Y 8.13 3.63 0.00 2.98 2.97 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 E 8.29 4.15 0.00 2.23 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 0.00 2.30 1.88 0.00 121 C 7.72 4.04 0.00 2.60 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 0.00 122 E 7.86 3.87 0.00 2.26 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 123 K 7.76 3.95 0.00 1.53 1.59 0.00 1.34 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.46 0.21 7.81 124 R 7.78 4.31 0.00 1.92 1.89 0.00 3.39 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 125 G 8.31 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 0.00 126 L 8.15 4.08 0.00 1.80 1.90 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.66 5.10 0.00 4.02 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 0.00 128 N 8.71 5.18 0.00 2.80 2.76 0.00 0.00 7.11 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.37 0.00 2.26 2.27 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 130 N 8.18 4.49 0.00 2.79 2.92 0.00 0.00 6.94 7.69 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 0.00 131 E 8.24 4.00 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 132 L 8.04 4.01 0.00 1.98 1.88 0.97 0.14 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 0.00 133 Q 7.81 3.94 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 134 A 8.05 3.97 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 0.00 135 A 8.16 3.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.94 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 1.47 0.91 1.01 0.00 0.00 137 D 8.38 4.33 0.00 2.83 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 0.00 138 S 8.07 4.19 0.00 4.13 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 0.00 139 N 8.25 4.57 0.00 3.05 2.93 0.00 0.00 7.12 8.11 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 0.00 140 R 7.99 3.89 0.00 1.97 1.97 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 141 R 7.90 4.19 0.00 1.82 1.97 0.00 3.26 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 142 E 7.53 4.32 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 143 G 7.86 4.12 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 0.00 0.00 0.00 144 R 7.70 4.66 0.00 1.87 1.90 0.00 3.01 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 145 R 8.36 4.15 0.00 1.81 1.87 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00