NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 W 4.7714 8.2744 120.5964 56.4150 30.7462 175.1812 5 V 3.6709 7.8715 118.3850 61.4319 32.0209 173.1591 6 P 4.5127 0.0000 0.0000 61.5662 32.8444 174.0400 7 P 4.4415 0.0000 0.0000 62.3740 31.9304 175.8919 8 E 3.8939 8.6405 121.4449 56.1753 30.1479 176.0206 9 V 4.2840 8.0427 125.4851 61.1578 32.9285 174.5489 10 F 4.5280 8.8473 125.9997 55.9886 40.4950 175.5240 11 D 4.6933 8.5479 125.0381 52.9242 41.3589 176.7280 12 L 4.0020 8.4196 128.1864 57.7764 41.7464 179.3896 13 V 3.7820 8.0288 117.4060 66.1783 31.4276 177.5761 14 A 4.0580 8.3569 120.3115 55.3624 18.1953 179.4044 15 E 3.9793 8.5220 117.0989 59.7717 29.5515 179.4557 16 D 4.3939 8.4889 119.0743 57.2566 40.8399 178.9657 17 K 4.2034 8.5164 119.0177 59.5046 32.0940 179.2293 18 A 4.0627 8.3370 121.1713 55.1704 18.3133 179.7019 19 R 3.8686 8.2406 117.2016 59.8802 29.7556 178.1882 20 C 4.4698 8.4024 116.6860 60.0513 41.3577 175.9632 21 M 4.2766 8.6616 120.5344 58.2197 30.6034 178.9066 22 S 4.1747 7.9781 115.2846 61.2265 63.0376 176.2708 23 E 4.1572 8.0882 120.4309 58.4228 29.2548 177.8484 24 H 4.9728 7.4962 112.6351 54.3044 29.9829 173.7835 25 G 3.9219 8.1636 108.0158 46.8678 0.0000 174.0482 26 T 4.3895 7.9947 116.6287 62.8209 69.5952 174.8455 27 T 4.5211 8.6605 116.5816 60.4063 72.0114 175.8901 28 Q 3.8740 8.4803 122.2982 59.3489 29.0911 178.3842 29 A 4.0477 7.9650 121.2924 55.3239 18.3966 179.5205 30 Q 3.9443 7.8485 115.9771 59.1383 28.7453 178.9666 31 I 3.6382 7.5967 120.8312 64.3947 36.9474 178.1859 32 D 4.3785 8.6093 120.1454 57.3437 40.6029 178.4783 33 D 4.3650 8.1477 119.3501 57.5766 40.9151 179.1540 34 V 3.8402 7.8140 118.5208 66.2018 31.3624 177.6462 35 D 4.7283 8.3653 117.2638 56.3866 40.7604 177.7854 36 K 4.4011 7.6973 117.5774 56.3445 32.4851 177.4372 37 G 2.8206 7.9182 107.7286 44.8381 0.0000 172.8997 38 N 4.5757 7.8387 117.4090 51.6017 38.8830 174.5423 39 L 4.9047 8.2302 123.2881 52.9386 44.2186 176.5058 40 V 4.5441 8.1119 114.5622 59.8760 36.0316 175.6269 41 N 3.7747 7.9708 122.3979 52.2378 37.3281 174.8414 42 E 4.5556 7.4145 118.9481 53.4551 33.0628 174.3758 43 P 4.5572 0.0000 0.0000 65.0800 31.2050 178.5446 44 S 4.2956 8.1517 111.5172 61.0841 62.9702 175.4535 45 I 4.2545 7.6501 120.9635 62.9071 38.6194 177.4842 46 T 4.1143 8.3579 111.1792 65.0102 68.5861 176.1167 47 C 4.4315 8.6142 119.7721 59.5883 40.3023 175.3111 48 Y 4.0861 8.0772 120.9293 61.0109 38.4890 177.9238 49 M 3.8660 8.3504 119.4952 58.4639 32.0775 177.9418 50 Y 4.1073 8.1953 119.7096 61.0028 38.9121 177.4446 51 C 3.8847 8.3862 119.5007 59.4525 40.0912 175.3748 52 L 3.7873 7.7366 122.0297 58.1003 41.6779 178.8139 53 L 3.9289 7.7155 118.9416 57.8461 41.5270 179.2382 54 E 3.9394 7.9209 119.0354 59.0396 29.2806 178.5661 55 A 3.9487 7.8880 120.1124 54.7123 18.4272 178.5875 56 F 4.1912 7.6422 113.5534 56.6890 39.1866 176.0957 57 S 3.8442 7.7651 113.2897 59.6505 60.7520 172.8478 58 L 4.3072 8.0245 122.6645 56.3898 41.9140 177.2562 59 V 4.9934 7.2965 109.6411 59.5966 35.9415 174.7288 60 D 4.8871 8.4668 121.6548 52.3646 41.6226 176.8740 61 D 5.3944 8.5832 119.1444 53.8468 39.4176 176.0874 62 E 4.7286 9.0130 118.1054 55.0022 30.0772 175.9650 63 A 4.3182 8.0972 119.4626 53.2261 16.9487 177.9987 64 N 4.6239 7.8319 117.1268 54.1357 39.3890 175.3417 65 V 4.1629 8.2373 123.1971 62.5954 32.5210 175.8378 66 D 4.6249 8.8773 127.1058 53.1084 40.8973 176.7185 67 E 3.9755 8.5533 127.7528 59.4172 29.6866 178.8736 68 D 4.3401 8.1117 118.4933 57.3583 40.7062 178.7411 69 I 3.7595 7.4837 119.2746 64.2887 37.4292 177.8477 70 M 4.1058 8.1262 119.0639 58.7637 32.1601 178.2650 71 L 4.0397 8.2634 119.5625 57.7015 41.5540 179.6120 72 G 3.7359 7.7185 104.1275 47.0028 0.0000 175.2634 73 L 4.0905 7.6199 120.3705 55.7413 41.8996 176.8931 74 L 4.5992 6.7313 117.7717 51.7118 44.2562 174.6071 75 P 4.4472 0.0000 0.0000 62.3631 32.4060 177.1675 76 D 4.3861 8.8560 120.0530 58.1746 40.4178 179.5691 77 Q 4.0843 8.0765 116.3862 58.1421 28.9583 177.6186 78 L 4.4783 7.7594 118.2319 54.6898 42.0380 178.3457 79 Q 3.9371 7.8281 119.6055 59.1562 28.7296 178.6041 80 E 3.9860 8.0692 118.9537 59.3474 29.5853 179.3829 81 R 3.9155 7.9784 117.4324 59.2595 30.1448 178.8258 82 A 3.9685 8.2236 120.6780 55.2745 18.3226 179.6513 83 Q 3.9101 8.4737 117.0303 59.0885 28.6047 179.1163 84 S 4.0564 8.1454 114.1942 61.3527 62.5829 176.2980 85 V 3.6134 7.8126 120.9619 66.4471 31.2410 177.9763 86 M 4.2316 8.4250 118.6360 58.1432 31.5268 178.9209 87 G 3.6521 8.0571 105.4404 47.5007 0.0000 175.3420 88 K 4.2573 7.6340 119.6499 57.8620 32.4638 176.9796 89 C 4.8598 7.9191 113.5001 56.3690 41.7959 173.6061 90 L 4.9294 7.6895 119.5119 51.7624 43.9304 174.6300 91 P 4.5249 0.0000 0.0000 62.3002 32.1694 176.3539 92 T 4.1734 8.1319 109.7456 62.0115 69.5259 173.7287 93 S 4.5976 7.9549 115.6417 56.3699 65.7763 173.8291 94 G 4.3012 7.9188 110.8453 45.6117 0.0000 172.4701 95 S 4.2684 8.3523 113.4916 60.5560 63.4825 173.7240 96 D 4.5502 7.4975 119.4626 51.3584 42.9028 175.3815 97 N 4.0526 8.4618 116.0046 56.5861 38.1301 178.3439 98 C 4.3617 8.0030 117.4133 60.0652 40.9230 175.4717 99 N 4.3215 9.0986 119.0162 56.4192 38.4473 176.9402 100 K 4.4150 8.2472 121.6885 59.1600 32.1770 179.3115 101 I 3.8696 7.7926 119.3920 64.0630 36.9938 177.5849 102 Y 4.1757 8.4759 121.0668 61.1525 38.5854 178.3165 103 N 4.1453 8.5344 117.2941 55.9234 38.5097 177.2554 104 L 3.9116 8.1725 121.6590 58.1015 42.2003 178.7966 105 A 4.1971 8.3874 121.1227 55.1954 18.3148 179.4997 106 K 3.7002 7.9158 118.1181 59.6476 32.2354 178.1653 107 C 4.2246 8.2503 118.7948 59.7246 38.8427 175.7536 108 V 3.6085 8.2312 120.2330 65.9079 31.2402 177.6217 109 Q 4.1569 8.6951 119.7818 59.5960 28.6863 178.4347 110 E 4.0624 8.1792 117.8870 59.1292 29.5562 178.9832 111 S 4.4533 8.1532 113.9139 59.7584 64.5322 174.6971 112 A 4.7809 7.7343 124.6725 50.2603 19.1038 174.8978 113 P 4.8723 0.0000 0.0000 63.7469 32.2369 178.0472 114 D 4.6947 7.9975 117.0615 54.6652 41.4238 176.3813 115 V 4.4176 7.4842 111.7136 59.2229 35.2459 175.3720 116 W 5.0845 8.0976 131.8027 56.2234 32.3384 174.0428 117 F 4.4537 8.1541 125.1038 56.1897 39.6629 176.0018 118 V 4.2687 7.8212 117.3511 59.0575 35.0658 175.7179 119 I 3.6713 8.1932 122.8127 61.7153 36.8036 175.9967 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 4 W 8.27 4.77 0.00 3.49 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.87 3.67 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 0.79 0.00 0.00 0.97 0.00 0.00 6 P 0.00 4.51 0.00 2.10 2.00 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 7 P 0.00 4.44 0.00 2.23 2.10 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 8 E 8.64 3.89 0.00 1.88 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 1.47 1.91 0.00 9 V 8.04 4.28 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 0.91 0.00 0.00 0.93 0.00 0.00 10 F 8.85 4.53 0.00 3.05 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 11 D 8.55 4.69 0.00 2.74 2.62 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 12 L 8.42 4.00 0.00 1.77 1.68 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.03 3.78 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 1.20 0.00 0.00 1.12 0.00 0.00 14 A 8.36 4.06 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 15 E 8.52 3.98 0.00 2.22 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 2.68 2.64 0.00 16 D 8.49 4.39 0.00 2.99 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 17 K 8.52 4.20 0.00 2.07 2.09 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.80 7.81 18 A 8.34 4.06 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 19 R 8.24 3.87 0.00 1.93 2.17 0.00 3.10 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 1.65 1.69 0.00 20 C 8.40 4.47 0.00 3.26 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 21 M 8.66 4.28 0.00 2.17 2.50 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.75 0.00 22 S 7.98 4.17 0.00 4.06 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 23 E 8.09 4.16 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 24 H 7.50 4.97 0.00 3.26 3.38 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.16 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.99 4.39 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 0.99 0.00 0.00 27 T 8.66 4.52 4.22 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 1.20 0.00 0.00 28 Q 8.48 3.87 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 29 A 7.96 4.05 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 30 Q 7.85 3.94 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 31 I 7.60 3.64 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.04 0.91 0.00 0.00 32 D 8.61 4.38 0.00 2.79 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 33 D 8.15 4.37 0.00 2.92 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 34 V 7.81 3.84 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 1.37 0.00 0.00 1.13 0.00 0.00 35 D 8.37 4.73 0.00 2.92 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 36 K 7.70 4.40 0.00 1.82 1.82 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.60 7.81 37 G 7.92 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 0.00 0.00 0.00 38 N 7.84 4.58 0.00 2.82 2.74 0.00 0.00 6.72 7.45 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 39 L 8.23 4.90 0.00 1.59 1.67 0.65 1.00 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 40 V 8.11 4.54 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 0.72 0.00 0.00 0.93 0.00 0.00 41 N 7.97 3.77 0.00 1.44 2.30 0.00 0.00 6.82 7.65 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 42 E 7.41 4.56 0.00 1.98 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 2.22 2.27 0.00 43 P 0.00 4.56 0.00 2.16 2.13 0.00 3.86 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 2.11 2.01 0.00 44 S 8.15 4.30 0.00 4.05 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 45 I 7.65 4.25 1.90 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 1.77 1.41 1.04 0.00 0.00 46 T 8.36 4.11 4.57 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 1.42 0.00 0.00 47 C 8.61 4.43 0.00 2.95 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 48 Y 8.08 4.09 0.00 3.17 3.25 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 0.00 49 M 8.35 3.87 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.79 0.00 50 Y 8.20 4.11 0.00 3.10 3.15 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 51 C 8.39 3.88 0.00 3.18 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.74 3.79 0.00 1.26 1.31 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.72 3.93 0.00 1.75 1.65 0.93 0.49 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 54 E 7.92 3.94 0.00 1.31 1.67 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 2.38 2.33 0.00 55 A 7.89 3.95 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 56 F 7.64 4.19 0.00 2.92 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 57 S 7.77 3.84 0.00 4.03 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 58 L 8.02 4.31 0.00 1.85 1.68 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.30 4.99 2.20 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 0.81 0.00 0.00 0.89 0.00 0.00 60 D 8.47 4.89 0.00 2.94 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 61 D 8.58 5.39 0.00 2.88 2.90 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 62 E 9.01 4.73 0.00 2.02 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 2.20 2.18 0.00 63 A 8.10 4.32 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 64 N 7.83 4.62 0.00 2.97 2.77 0.00 0.00 6.71 7.56 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 65 V 8.24 4.16 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 0.75 0.00 0.00 0.95 0.00 0.00 66 D 8.88 4.62 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.55 3.98 0.00 2.04 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 2.39 2.40 0.00 68 D 8.11 4.34 0.00 2.89 2.70 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 0.00 0.00 0.00 69 I 7.48 3.76 1.87 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 1.73 0.73 0.96 0.00 0.00 70 M 8.13 4.11 0.00 2.05 2.02 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 2.51 2.50 0.00 71 L 8.26 4.04 0.00 1.73 1.87 0.89 0.86 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 72 G 7.72 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 0.00 0.00 0.00 73 L 7.62 4.09 0.00 1.62 1.60 0.77 0.87 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 74 L 6.73 4.60 0.00 1.59 1.35 0.62 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.45 0.00 2.16 1.96 0.00 3.50 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 76 D 8.86 4.39 0.00 2.67 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 77 Q 8.08 4.08 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 78 L 7.76 4.48 0.00 1.78 1.59 0.93 1.03 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 79 Q 7.83 3.94 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 80 E 8.07 3.99 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 81 R 7.98 3.92 0.00 1.95 1.99 0.00 3.17 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 82 A 8.22 3.97 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 83 Q 8.47 3.91 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 84 S 8.15 4.06 0.00 3.91 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 85 V 7.81 3.61 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 1.00 0.00 0.00 1.02 0.00 0.00 86 M 8.43 4.23 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 87 G 8.06 3.65 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 0.00 0.00 0.00 88 K 7.63 4.26 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 89 C 7.92 4.86 0.00 3.04 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 90 L 7.69 4.93 0.00 1.70 1.55 0.92 0.91 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 91 P 0.00 4.52 0.00 2.18 2.05 0.00 3.77 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 1.99 1.95 0.00 92 T 8.13 4.17 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 1.24 0.00 0.00 93 S 7.95 4.60 0.00 3.98 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 94 G 7.92 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 0.00 0.00 0.00 0.00 95 S 8.35 4.27 0.00 3.99 4.01 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 96 D 7.50 4.55 0.00 2.86 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 97 N 8.46 4.05 0.00 2.12 1.50 0.00 0.00 6.85 7.66 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 98 C 8.00 4.36 0.00 3.07 3.14 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 99 N 9.10 4.32 0.00 2.79 2.83 0.00 0.00 7.26 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 0.00 100 K 8.25 4.42 0.00 2.02 1.88 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.48 7.81 101 I 7.79 3.87 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.11 1.02 0.00 0.00 102 Y 8.48 4.18 0.00 3.10 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 0.00 103 N 8.53 4.15 0.00 2.99 2.85 0.00 0.00 6.74 7.44 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 0.00 104 L 8.17 3.91 0.00 1.85 1.88 0.94 1.09 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 0.00 105 A 8.39 4.20 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 0.00 106 K 7.92 3.70 0.00 1.32 1.66 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.30 7.81 107 C 8.25 4.22 0.00 3.13 3.22 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 0.00 108 V 8.23 3.61 2.39 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 1.06 0.00 0.00 1.01 0.00 0.00 109 Q 8.70 4.16 0.00 1.81 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 110 E 8.18 4.06 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 111 S 8.15 4.45 0.00 3.91 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 0.00 112 A 7.73 4.78 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 0.00 113 P 0.00 4.87 0.00 2.19 2.20 0.00 3.40 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 114 D 8.00 4.69 0.00 2.70 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 0.00 115 V 7.48 4.42 1.76 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 0.66 0.00 0.00 1.09 0.00 0.00 116 W 8.10 5.08 0.00 3.17 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 0.00 117 F 8.15 4.45 0.00 2.79 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 0.00 118 V 7.82 4.27 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 0.59 0.00 0.00 0.91 0.00 0.00 119 I 8.19 3.67 1.58 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.15 0.23 0.00 0.00