NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5482 8.3349 115.4256 58.5053 65.1951 173.2803 3 T 4.7645 7.5041 114.6456 61.0668 72.4373 171.0233 4 Y 4.9929 8.2749 120.5319 55.8008 42.8081 172.9543 5 H 4.9909 9.1944 120.5225 55.5881 31.5902 173.6057 6 L 5.3190 8.6604 126.9662 53.3598 45.4047 174.5943 7 D 5.2181 9.2222 125.5966 52.7125 44.0775 175.0641 8 V 4.7202 8.8661 125.1989 61.3399 33.4166 174.8982 9 V 5.0932 8.6072 120.7241 59.7455 36.0390 174.8085 10 S 5.0833 8.9397 116.7634 56.3216 66.2284 174.5443 11 A 3.7834 8.8720 121.4365 54.5562 18.1785 178.1708 12 E 4.5797 7.6928 113.1796 56.4293 32.0052 175.9199 13 Q 4.6934 8.1429 116.2015 54.0129 32.2998 174.2317 14 Q 4.5267 8.1617 120.6605 53.9046 28.8353 174.5147 15 M 4.2387 8.4139 122.8986 57.9272 32.6381 176.5660 16 F 4.7192 8.0654 118.4652 57.3788 43.6656 173.8941 17 S 4.6358 6.2962 115.5868 59.2775 64.0272 174.1709 18 G 3.8124 7.5948 114.4944 46.3583 0.0000 169.4029 19 L 4.9120 8.3668 119.8802 54.4241 42.6959 177.1335 20 V 4.3976 8.0764 115.5251 59.7643 35.6988 176.1074 21 E 4.3200 8.6252 121.4944 58.4052 30.5936 176.5085 22 K 4.6269 7.4373 116.2426 56.5330 35.5008 174.0087 23 I 5.4913 7.6820 112.8011 59.6829 41.5497 173.7504 24 Q 5.4824 8.3643 121.1177 53.4927 32.1750 175.0178 25 V 4.8552 8.2764 115.9206 59.0575 35.9981 175.4526 26 T 4.5078 8.0570 118.8706 61.8060 67.6558 174.5667 27 G 4.1444 8.2987 113.1537 45.8322 0.0000 172.0031 28 S 4.2544 8.2909 114.1511 61.0839 62.3157 174.9824 29 E 4.1676 8.5922 117.2863 56.8866 29.5083 176.3484 30 G 4.0223 6.9802 104.8471 43.1555 0.0000 171.4951 31 E 4.4533 8.3952 121.8190 56.5704 30.0713 176.4727 32 L 4.8038 9.1000 127.0909 52.8328 44.9411 175.5522 33 G 4.3638 8.7560 109.8105 44.5836 0.0000 172.2517 34 I 4.5448 8.5625 127.4610 59.7886 39.7017 174.8795 35 Y 5.0003 8.4747 123.6651 54.9980 41.8284 173.4406 36 P 4.4845 0.0000 0.0000 64.3122 31.7863 177.3215 37 G 3.9132 8.8908 109.8627 45.8035 0.0000 173.1574 38 H 4.1787 7.6915 118.2857 55.4839 30.4184 175.0364 39 A 4.1869 8.0547 127.6789 51.1193 18.9751 175.6252 40 P 4.5393 0.0000 0.0000 63.6658 32.1213 175.3820 41 L 4.5736 8.6605 123.2210 54.0692 46.2741 174.4206 42 L 4.9931 8.3366 125.1312 54.0445 44.0812 174.7041 43 T 4.8108 9.0238 120.4292 60.1275 71.6159 172.2119 44 A 4.8745 8.4443 126.0422 51.1245 20.7180 176.1057 45 I 4.5029 8.7274 122.0977 59.7819 39.2722 175.4959 46 K 4.5271 8.6824 126.6728 54.3501 33.5647 174.8812 47 P 4.1693 0.0000 0.0000 64.4546 31.7007 173.7274 48 G 4.1666 9.2932 118.5015 46.1745 0.0000 175.3819 49 M 5.0849 6.1799 121.1795 54.5156 35.4434 173.1932 50 I 4.9135 8.4198 119.3157 59.2223 41.4068 173.7067 51 R 4.1600 8.8103 130.3590 54.9339 31.8031 174.7115 52 I 4.1005 7.9299 127.7283 59.7360 39.3008 175.1260 53 V 4.2259 8.0609 128.9042 60.9932 31.4875 175.4185 54 K 4.4473 8.7735 127.3166 55.4732 33.4460 176.2202 55 Q 3.9363 8.4766 122.8427 58.2180 29.3971 176.5780 56 H 4.1213 9.1049 120.0450 55.4249 26.2253 175.1214 57 G 3.8584 7.6318 105.3948 47.3975 0.0000 173.8671 58 H 5.1154 7.8613 115.1466 53.8575 31.8923 175.0244 59 E 5.4122 8.7215 121.4501 54.4573 32.0215 175.0483 60 E 4.6744 7.8906 121.4514 54.9046 33.5880 173.4733 61 F 5.2170 9.0355 124.9051 55.7603 42.1574 174.3783 62 I 5.0143 8.2977 123.3546 59.5887 40.9799 174.0317 63 Y 4.8763 9.1824 128.8569 57.2012 40.3911 173.9102 64 L 4.9178 7.7905 125.9316 52.7473 44.1545 177.6428 65 S 4.1643 8.5878 119.3496 58.8576 63.9662 174.5747 66 G 4.0032 7.9272 108.7658 44.5426 0.0000 171.0176 67 G 4.0900 6.6188 104.0066 45.5748 0.0000 170.6749 68 I 4.9625 8.0186 120.4677 59.3597 41.1498 174.3999 69 L 4.9108 9.3028 129.0607 53.2722 44.4511 174.5780 70 E 4.8496 9.4656 127.3470 54.5541 32.3234 174.1305 71 V 4.4316 8.5506 128.2223 61.6410 33.1093 174.8211 72 Q 4.8635 8.5555 125.6866 53.1021 33.6460 173.2150 73 P 4.0888 0.0000 0.0000 64.1226 31.6892 178.4407 74 G 4.1520 9.0495 112.0051 45.5169 0.0000 171.9542 75 N 5.6264 8.0281 118.3570 51.6892 42.2297 173.2469 76 V 4.9595 9.4979 125.6323 61.4553 34.9695 174.2217 77 T 5.2320 9.0635 123.8285 61.6667 72.8510 173.2319 78 V 4.7812 8.7874 125.1554 59.8801 34.2641 174.3677 79 L 4.7695 8.8847 129.1650 53.7942 42.9896 175.0454 80 A 4.7805 8.7817 129.1856 50.7672 20.2848 176.1784 81 D 4.4706 9.0345 121.8896 56.3172 40.8791 176.3426 82 T 4.7623 8.5239 112.9204 61.6838 72.2100 172.4972 83 A 5.2766 8.6309 126.6712 50.2832 22.2377 175.2595 84 I 4.6761 8.6376 122.1389 59.2118 41.6736 175.2793 85 R 4.2726 8.8836 127.1600 56.0553 30.9208 177.2328 86 G 3.9121 9.7814 113.8547 48.0979 0.0000 175.5337 87 Q 4.1538 8.1146 115.9065 57.8619 28.7810 176.2887 88 D 4.7164 7.9076 117.4743 54.3618 41.7280 176.8699 89 L 4.1250 7.5229 119.3518 54.4087 42.3834 176.2842 90 D 4.8380 8.2357 120.2730 52.2470 43.3067 176.5643 91 E 3.8478 8.7676 127.4413 59.4486 29.7539 178.5569 92 A 3.9731 7.9737 120.2497 55.2018 18.6094 179.7076 93 R 3.8477 8.2430 116.4433 59.2344 30.1041 179.1749 94 A 3.9344 8.1619 120.7958 55.1493 18.4642 179.2717 95 M 3.9132 8.3215 117.1722 58.6449 32.2589 177.9605 96 E 3.8623 8.2965 119.1857 59.3528 29.8520 178.6283 97 A 3.9529 7.7744 120.1934 55.0946 18.4256 179.4680 98 K 3.8558 8.0305 118.1135 59.4842 32.2685 179.0832 99 R 3.8185 7.8936 118.7147 59.5294 29.8979 178.6063 100 K 4.2175 8.1975 117.9270 58.6890 32.2498 179.0165 101 A 4.0967 8.1037 120.9791 55.2858 18.5825 179.4248 102 E 3.9323 8.7352 117.6639 59.3035 29.2415 179.0356 103 E 4.3360 8.1912 116.6358 58.3722 29.9291 178.0898 104 H 4.2541 8.0775 118.9821 58.9268 30.2444 177.0198 105 I 3.9718 7.7143 121.7222 63.9609 37.0986 177.7891 106 S 4.8777 7.5031 111.9970 58.8940 64.2824 174.8776 107 S 4.5154 7.8743 115.5325 58.9179 65.8395 173.9173 108 S 4.3649 7.7763 116.3413 59.6384 62.3057 173.7272 109 H 4.5723 9.3161 125.0883 56.2644 30.1566 174.7582 110 G 4.1108 7.9190 105.4783 45.0417 0.0000 172.6713 111 D 4.8489 8.6990 118.0744 53.3894 40.1644 178.2310 112 V 3.6584 7.5263 121.5279 64.9237 32.2710 177.8853 113 D 4.4584 8.0592 119.6830 55.4797 39.2484 177.7523 114 Y 3.9303 8.0524 120.8781 60.6910 39.1053 177.3998 115 A 3.8395 7.7640 121.2328 54.9274 18.5034 179.2420 116 Q 3.9538 7.7421 117.4191 58.8918 29.2283 177.8316 117 A 4.0136 7.7872 121.6918 54.7664 18.4277 179.5452 118 S 3.8174 8.4095 112.2245 61.0696 62.4400 176.3447 119 A 3.9156 7.6684 123.1637 55.2574 18.0765 179.2422 120 E 3.9000 7.9381 116.8217 59.6813 29.4824 179.5939 121 L 3.9153 7.9077 119.9082 57.7826 42.1306 178.5805 122 A 3.9748 7.7512 120.4747 55.3452 18.3414 179.6580 123 K 4.0314 7.9491 116.0440 59.6554 32.2640 179.4922 124 A 3.9106 7.7108 120.8701 55.1598 18.3579 179.6886 125 I 3.6122 8.3707 118.4508 64.4370 37.1797 178.3855 126 A 4.0604 8.4333 121.9223 55.4203 18.1823 179.6232 127 Q 3.6697 7.9934 116.3336 59.1674 28.7728 179.2802 128 L 3.9244 7.7523 119.4772 57.4730 41.4778 179.6340 129 R 3.8140 7.9280 118.8273 59.3806 30.1138 178.6886 130 V 3.4857 7.7341 118.0148 65.9702 31.3762 177.7437 131 I 3.6325 7.8050 119.5718 64.7681 36.7154 178.3245 132 E 3.9296 8.1468 119.0135 59.3080 29.0319 179.4597 133 L 3.5406 7.8296 118.4960 57.5096 41.2909 179.3911 134 T 3.9642 7.6319 116.0935 66.2729 68.2139 176.7143 135 K 3.8606 7.4458 119.3153 59.4729 32.3997 176.9707 136 K 4.1494 7.3436 120.8649 56.6632 31.8413 176.6902 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 4.55 0.00 4.03 4.10 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 3 T 7.50 4.76 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 1.21 0.00 0.00 4 Y 8.27 4.99 0.00 3.17 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 5 H 9.19 4.99 0.00 3.30 3.29 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.66 5.32 0.00 1.71 1.61 1.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.22 5.22 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.87 4.72 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 0.97 0.00 0.00 0.90 0.00 0.00 9 V 8.61 5.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 10 S 8.94 5.08 0.00 3.81 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 11 A 8.87 3.78 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 12 E 7.69 4.58 0.00 1.77 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 2.23 2.28 0.00 13 Q 8.14 4.69 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 14 Q 8.16 4.53 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 15 M 8.41 4.24 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 16 F 8.07 4.72 0.00 3.05 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 6.30 4.64 0.00 3.93 3.53 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 18 G 7.59 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.37 4.91 0.00 1.52 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.08 4.40 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 0.59 0.00 0.00 0.24 0.00 0.00 21 E 8.63 4.32 0.00 1.81 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 2.28 2.19 0.00 22 K 7.44 4.63 0.00 1.05 1.35 0.00 1.48 0.00 0.00 1.84 0.00 0.00 2.45 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.14 7.81 23 I 7.68 5.49 1.80 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 1.30 0.26 0.75 0.00 0.00 24 Q 8.36 5.48 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.10 0.00 25 V 8.28 4.86 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 0.88 0.00 0.00 0.89 0.00 0.00 26 T 8.06 4.51 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 27 G 8.30 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.29 4.25 0.00 4.01 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 29 E 8.59 4.17 0.00 1.98 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 2.29 2.36 0.00 30 G 6.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.40 4.45 0.00 2.01 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 2.31 2.36 0.00 32 L 9.10 4.80 0.00 1.58 1.49 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.76 4.36 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 0.00 34 I 8.56 4.54 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.91 0.57 0.00 0.00 35 Y 8.47 5.00 0.00 2.97 2.91 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 36 P 0.00 4.48 0.00 2.18 2.18 0.00 4.06 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 37 G 8.89 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 0.00 0.00 0.00 38 H 7.69 4.18 0.00 3.32 3.07 0.00 5.76 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 39 A 8.05 4.19 1.21 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 40 P 0.00 4.54 0.00 1.94 2.03 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 41 L 8.66 4.57 0.00 1.75 1.41 0.92 0.34 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 42 L 8.34 4.99 0.00 1.62 1.50 0.92 0.83 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 43 T 9.02 4.81 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 44 A 8.44 4.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.73 4.50 1.90 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 1.19 1.17 0.93 0.00 0.00 46 K 8.68 4.53 0.00 1.62 1.72 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 47 P 0.00 4.17 0.00 2.11 2.26 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 48 G 9.29 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 0.00 0.00 0.00 49 M 6.18 5.08 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 50 I 8.42 4.91 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.49 0.83 0.00 0.00 51 R 8.81 4.16 0.00 1.82 1.62 0.00 3.07 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.80 0.00 52 I 7.93 4.10 1.46 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.21 0.18 0.00 0.00 53 V 8.06 4.23 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 0.90 0.00 0.00 0.80 0.00 0.00 54 K 8.77 4.45 0.00 1.77 1.78 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.38 7.81 55 Q 8.48 3.94 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.07 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 56 H 9.10 4.12 0.00 3.13 3.31 0.00 6.09 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 57 G 7.63 3.86 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 0.00 58 H 7.86 5.12 0.00 3.01 3.17 0.00 5.60 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 59 E 8.72 5.41 0.00 1.90 1.51 0.00 0.00 0.00 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 2.10 0.00 60 E 7.89 4.67 0.00 1.94 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 2.27 2.37 0.00 61 F 9.04 5.22 0.00 3.08 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 62 I 8.30 5.01 1.86 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 1.15 0.94 0.96 0.00 0.00 63 Y 9.18 4.88 0.00 3.10 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 64 L 7.79 4.92 0.00 1.41 1.32 0.85 0.59 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 65 S 8.59 4.16 0.00 3.88 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.93 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 0.00 0.00 0.00 67 G 6.62 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.02 4.96 1.86 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 1.10 0.70 0.97 0.00 0.00 69 L 9.30 4.91 0.00 1.67 1.59 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 70 E 9.47 4.85 0.00 1.98 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 2.18 2.20 0.00 71 V 8.55 4.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.79 0.00 0.00 72 Q 8.56 4.86 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 73 P 0.00 4.09 0.00 2.18 2.01 0.00 3.68 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 2.11 2.09 0.00 74 G 9.05 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 75 N 8.03 5.63 0.00 2.81 2.67 0.00 0.00 6.41 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 76 V 9.50 4.96 2.35 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 1.06 0.00 0.00 0.68 0.00 0.00 77 T 9.06 5.23 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 78 V 8.79 4.78 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 0.74 0.00 0.00 0.90 0.00 0.00 79 L 8.88 4.77 0.00 1.79 1.58 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.78 4.78 1.17 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 0.00 0.00 81 D 9.03 4.47 0.00 2.53 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 82 T 8.52 4.76 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 1.28 0.00 0.00 83 A 8.63 5.28 1.17 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 0.00 0.00 84 I 8.64 4.68 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.96 0.00 0.00 85 R 8.88 4.27 0.00 1.95 1.91 0.00 3.24 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 86 G 9.78 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 0.00 0.00 0.00 87 Q 8.11 4.15 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 88 D 7.91 4.72 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.52 4.13 0.00 1.57 1.51 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.24 4.84 0.00 2.73 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 91 E 8.77 3.85 0.00 2.04 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 2.35 2.34 0.00 92 A 7.97 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.24 3.85 0.00 1.98 1.95 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 94 A 8.16 3.93 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 95 M 8.32 3.91 0.00 2.17 2.28 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 2.58 2.57 0.00 96 E 8.30 3.86 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 97 A 7.77 3.95 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 98 K 8.03 3.86 0.00 1.93 2.00 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 99 R 7.89 3.82 0.00 1.91 2.08 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 100 K 8.20 4.22 0.00 1.89 1.85 0.00 1.69 0.00 0.00 1.54 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.49 7.81 101 A 8.10 4.10 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 0.00 102 E 8.74 3.93 0.00 2.18 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 2.33 2.42 0.00 103 E 8.19 4.34 0.00 2.23 2.21 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 2.49 2.35 0.00 104 H 8.08 4.25 0.00 3.40 3.39 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.71 3.97 2.11 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 1.51 1.12 1.08 0.00 0.00 106 S 7.50 4.88 0.00 4.10 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 0.00 107 S 7.87 4.52 0.00 4.04 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 0.00 108 S 7.78 4.36 0.00 4.04 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 0.00 109 H 9.32 4.57 0.00 3.09 3.31 0.00 5.96 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 0.00 110 G 7.92 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 0.00 0.00 0.00 0.00 111 D 8.70 4.85 0.00 2.85 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.53 3.66 2.11 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 0.94 0.00 0.00 0.96 0.00 0.00 113 D 8.06 4.46 0.00 2.94 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 0.00 114 Y 8.05 3.93 0.00 3.14 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 0.00 115 A 7.76 3.84 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.74 3.95 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 117 A 7.79 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.41 3.82 0.00 3.27 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 0.00 119 A 7.67 3.92 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 0.00 120 E 7.94 3.90 0.00 2.20 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 2.28 2.48 0.00 121 L 7.91 3.92 0.00 1.83 1.75 0.90 1.08 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 0.00 122 A 7.75 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.95 4.03 0.00 2.06 1.98 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.67 7.81 124 A 7.71 3.91 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 0.00 125 I 8.37 3.61 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 1.64 1.08 0.91 0.00 0.00 126 A 8.43 4.06 1.58 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 0.00 127 Q 7.99 3.67 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.73 0.00 128 L 7.75 3.92 0.00 1.84 1.67 0.91 0.54 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 0.00 129 R 7.93 3.81 0.00 2.02 2.08 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 130 V 7.73 3.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.13 0.00 0.00 131 I 7.81 3.63 1.97 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 1.47 1.20 0.86 0.00 0.00 132 E 8.15 3.93 0.00 2.03 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 2.41 2.45 0.00 133 L 7.83 3.54 0.00 1.01 0.30 0.84 0.71 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 0.00 134 T 7.63 3.96 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 135 K 7.45 3.86 0.00 1.80 1.86 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.56 7.81 136 K 7.34 4.15 0.00 1.74 1.71 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.51 7.81