NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.6319 8.3027 120.3910 56.1308 31.3828 173.7275 -3 H 4.1860 8.4979 120.7088 58.8467 29.6646 175.2334 -2 M 4.2263 8.4369 119.3224 57.1889 32.1443 177.3611 -1 N 4.4707 7.9578 117.9224 56.6298 39.4096 176.3158 0 S 4.1627 7.8244 113.5554 61.8736 62.3967 176.1858 1 M 4.0086 8.1007 120.9135 58.3516 31.7120 178.1883 2 A 4.3167 7.7909 122.2126 54.5433 18.4504 179.3596 3 L 3.5997 8.2179 118.4210 58.2661 42.1902 178.8793 4 K 3.8327 8.2068 119.5940 59.6716 31.9661 178.5042 5 R 3.8301 8.1103 118.5910 59.5491 30.1121 178.1851 6 I 3.4137 7.7666 119.7562 64.6428 36.9535 177.6841 7 N 4.2918 8.4086 117.1838 56.3909 38.3724 176.9878 8 K 3.8480 7.8400 120.2523 59.8998 32.0174 178.2605 9 E 4.0308 8.1226 117.2170 59.6857 29.5788 179.0034 10 L 4.3477 8.1624 120.1544 58.3399 42.3438 179.1768 11 S 4.2168 8.5224 115.2863 61.0986 62.5217 175.6973 12 D 4.6457 8.1589 120.2381 55.5480 40.9848 177.6264 13 L 5.1555 7.7682 119.1212 54.6789 42.0166 177.7970 14 A 4.3816 7.5574 121.0829 54.4727 19.4787 179.0745 15 R 4.4431 7.7048 112.9724 56.7161 30.5827 176.5925 16 D 4.2916 7.4593 112.8802 53.2482 43.1662 172.2845 17 P 4.9537 0.0000 0.0000 60.6523 32.7070 174.9729 18 P 4.3722 0.0000 0.0000 61.7775 32.0157 175.4114 19 A 4.0945 8.3966 122.6716 53.6290 18.0846 177.6873 20 Q 3.6622 8.9345 120.0634 56.9913 26.7687 172.6148 21 C 5.2285 7.7592 115.0366 58.1303 30.6240 173.4854 22 S 4.7842 8.8585 116.3925 56.8812 65.8214 172.5159 23 A 5.1934 8.5976 127.1406 50.9311 22.1278 175.2737 24 G 3.6309 8.7184 107.5995 43.8010 0.0000 170.4822 25 P 4.6642 0.0000 0.0000 61.6610 32.6413 178.5083 26 V 3.8365 8.8135 115.4698 61.5022 30.8226 173.1587 27 G 3.8465 8.5490 116.6598 46.4361 0.0000 173.0560 28 D 4.8445 8.9747 128.5089 54.7428 40.6814 173.3272 29 D 4.6914 7.8224 117.2998 53.6867 41.8753 175.5028 30 M 4.4376 8.9150 126.3472 58.0175 32.9346 176.7276 31 F 4.6688 9.0473 116.1370 57.8182 40.4499 174.6595 32 H 5.2558 8.6536 118.6664 54.4665 32.5185 172.2262 33 W 5.6366 9.5934 126.0255 54.9123 33.2665 174.5588 34 Q 5.2767 9.1727 119.5652 54.5297 31.1250 174.3374 35 A 5.4976 8.7711 122.3686 50.4813 22.9474 175.1047 36 T 5.1690 9.4079 109.0576 60.1057 72.8274 173.0536 37 I 5.0574 8.1549 123.2267 60.0093 41.2264 175.2928 38 M 4.1181 8.8619 125.7007 54.5073 33.3597 174.2706 39 G 4.2171 8.5033 112.2908 44.7334 0.0000 171.5594 40 P 5.1969 0.0000 0.0000 61.9195 32.0037 176.6572 41 N 4.7678 8.7028 116.5327 54.4192 38.9636 175.2765 42 D 4.9221 8.0225 117.3297 53.6747 41.3836 175.2267 43 S 4.8878 7.6318 110.7239 55.4269 66.2035 172.5003 44 P 4.3329 0.0000 0.0000 63.9994 31.3098 176.8020 45 Y 4.8752 7.6888 115.4730 56.6538 38.3807 175.0303 46 Q 4.9798 6.9567 120.7895 57.4805 29.4962 175.1800 47 G 4.3486 8.5816 116.2824 45.8410 0.0000 174.4539 48 G 3.5122 7.6473 106.2630 45.8049 0.0000 173.3564 49 V 4.4026 7.5613 116.3105 59.2809 33.3555 175.2770 50 F 4.8578 8.6087 124.7774 55.7236 41.4308 174.9765 51 F 5.1862 9.3731 123.3444 56.7001 40.9222 174.9726 52 L 5.3255 9.2156 121.6087 53.0872 46.4518 175.3116 53 T 5.0924 8.8175 110.5476 60.0732 71.6197 172.8237 54 I 4.5372 8.9239 127.1721 59.7475 39.7320 174.2522 55 H 5.0267 9.1507 125.9867 53.8448 30.6903 173.9261 56 F 4.3432 8.7558 123.7621 55.9002 39.4235 174.6324 57 P 4.4635 0.0000 0.0000 62.8688 31.7894 177.2563 58 T 4.3609 8.5240 114.5131 64.3974 67.7328 174.6805 59 D 4.8773 8.0651 120.1850 54.4031 41.1257 175.3614 60 Y 4.5405 7.9680 121.8597 57.5448 39.0434 174.3853 61 P 3.8101 0.0000 0.0000 62.4542 31.6153 177.6843 62 F 4.1290 8.6704 120.2083 59.7619 39.0276 175.8264 63 K 4.7218 7.9492 119.0599 53.2018 34.6567 174.1390 64 P 2.9700 0.0000 0.0000 61.5985 31.5852 173.9510 65 P 4.1560 0.0000 0.0000 62.2387 32.3701 175.8243 66 K 4.2111 8.4035 123.9618 56.1769 32.9132 176.4588 67 V 5.3931 8.1776 123.2937 59.8174 34.5517 173.9698 68 A 4.5683 7.9937 121.8200 51.0892 22.5509 175.4748 69 F 4.6725 9.2149 119.1918 58.0364 39.6934 176.6723 70 T 4.3621 9.0959 112.6257 63.7388 70.3187 175.6813 71 T 4.3959 8.2454 118.4676 62.7970 69.1633 175.4613 72 R 4.0593 8.5998 125.2065 56.6646 30.7662 175.9743 73 I 4.5642 7.9161 118.6668 60.2839 40.7382 173.4086 74 Y 3.8554 8.8758 129.0417 57.1902 38.0393 173.8073 75 H 4.7510 7.5495 124.7300 54.6593 32.8325 172.7658 76 P 4.2188 0.0000 0.0000 64.5761 31.5192 177.5054 77 N 4.8756 8.3111 114.0973 52.6024 39.1800 173.5959 78 I 5.3829 7.6401 117.7965 58.4095 40.4403 174.7630 79 N 4.9204 8.4108 122.3787 50.3583 39.7487 175.4047 80 S 4.1914 8.7530 112.4668 61.7718 62.7920 175.8407 81 N 4.3898 8.2528 117.3381 56.9215 38.5184 174.9558 82 G 3.9936 8.2846 104.0930 45.7207 0.0000 173.9382 83 S 4.4899 8.3974 117.7191 58.6583 63.4282 173.3814 84 I 4.9647 8.1329 124.0657 59.8450 39.5730 175.7779 85 C 4.5257 8.0726 125.1264 57.3116 30.4185 171.1837 86 L 4.7953 7.6756 122.3749 51.7189 44.6394 177.4490 87 D 4.4053 8.8699 123.7285 57.5624 40.5479 178.6758 88 I 3.7647 7.8994 119.0341 64.0953 37.1526 177.1553 89 L 4.4826 7.8438 117.0022 56.4298 42.7232 177.2387 90 R 4.7988 8.1626 120.1309 55.4950 31.3592 177.0514 91 S 4.8043 8.7574 114.2934 59.2767 60.4396 173.6642 92 Q 5.5616 7.7947 134.1797 55.9208 30.3653 173.0892 93 W 4.4648 8.1556 128.2925 57.5567 31.5919 175.0541 94 S 4.4156 7.3051 119.3111 55.3251 64.1164 172.9259 95 P 4.3224 0.0000 0.0000 64.2525 31.1836 177.6400 96 A 3.9066 7.2948 120.0383 54.2285 18.6378 178.0360 97 L 3.9066 7.0474 116.1903 54.9246 42.2236 176.9228 98 T 5.1226 7.9763 111.0824 59.0862 73.3965 174.9818 99 I 3.7571 9.0601 122.5137 64.8857 37.3020 178.3521 100 S 4.1819 8.3486 113.1630 61.7345 62.0501 176.4680 101 K 4.0555 7.9401 120.4596 59.4873 31.8539 179.4352 102 V 3.6426 7.9142 118.4433 66.0715 31.3555 177.8426 103 L 4.0025 8.0398 118.5959 57.8818 41.4746 179.5721 104 L 3.9772 7.5476 117.7554 58.0134 41.4116 179.4314 105 S 4.2616 7.8489 111.5616 61.5550 62.4946 176.0634 106 I 3.9501 7.8265 122.4897 64.2079 36.9004 178.1081 107 C 4.2117 8.2834 118.0779 62.7626 27.8042 176.0173 108 S 4.2868 8.2541 111.1541 59.2191 62.6839 174.0193 109 L 4.7822 7.5920 125.2647 56.0055 43.4031 178.5707 110 L 4.1917 7.6637 117.3463 57.4743 41.7807 178.1331 111 C 4.4445 8.1751 115.4325 61.6423 28.5696 173.5322 112 D 4.6858 7.8463 118.5371 52.2401 43.3282 173.2097 113 P 4.4425 0.0000 0.0000 61.3155 32.7257 175.5810 114 N 4.6619 8.5844 118.1623 51.5462 38.8705 173.3226 115 P 4.4655 0.0000 0.0000 62.6861 32.1890 176.6841 116 D 4.5358 7.7961 117.2681 55.5738 41.4423 176.1241 117 D 4.7403 7.5707 117.6730 51.3274 40.9923 172.1082 118 P 4.7047 0.0000 0.0000 60.8299 33.4610 176.6008 119 L 4.1341 8.5824 122.3505 56.6268 42.6032 177.3708 120 V 4.2356 7.2155 116.8653 59.0427 32.3712 173.3580 121 P 4.1844 0.0000 0.0000 65.4401 30.9248 177.4103 122 E 3.9426 8.2653 116.6016 59.9329 29.3146 179.7162 123 I 3.7043 7.6527 118.4692 64.3225 37.2182 177.9865 124 A 3.8457 7.8617 121.5722 55.5430 17.9993 179.9857 125 R 3.9339 8.2657 116.4295 59.2689 30.0099 179.3661 126 I 3.7409 7.4576 119.0716 64.3378 36.8871 177.5547 127 Y 3.6698 7.9039 119.4427 60.7633 38.6155 178.0715 128 K 4.0991 7.8511 117.9204 59.8298 32.2995 179.2237 129 T 4.2554 8.0833 109.1489 63.5835 70.2076 174.7379 130 D 4.6608 8.1972 125.4887 50.5013 41.8362 175.7414 131 R 3.7510 8.4057 123.7600 58.9588 30.3458 177.5757 132 D 4.3809 8.1110 118.1000 57.6862 40.7334 178.6555 133 K 3.7438 7.9768 119.4756 60.3866 32.0780 177.2711 134 Y 4.2318 8.0199 118.2845 61.2436 38.6367 177.8943 135 N 3.8534 8.6751 116.7428 56.4722 38.7969 177.0354 136 R 3.7549 7.8675 119.4665 59.6787 30.0913 178.3725 137 I 3.5971 7.6614 119.2398 64.4959 36.9573 178.3723 138 S 3.9245 7.9016 116.0397 61.9025 62.4954 177.2994 139 R 4.0151 7.7835 120.3585 59.1965 29.4797 178.7530 140 E 3.9692 8.3884 118.7716 59.2215 29.3695 179.5844 141 W 4.2995 8.6417 118.8413 60.0636 28.9289 178.7866 142 T 4.3463 8.6262 115.9207 66.7785 67.5780 176.7358 143 Q 4.0004 8.1577 119.7884 58.5971 28.9574 177.9249 144 K 4.1206 7.3681 116.2422 58.4944 33.2737 177.7437 145 Y 4.6519 8.1444 116.9450 59.0652 38.8415 176.3414 146 A 4.6208 7.2734 120.4397 51.3129 19.5444 176.5405 147 M 4.0702 7.8073 122.0980 57.5841 30.5975 174.5950 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 H 8.30 4.63 0.00 3.18 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.50 4.19 0.00 3.36 3.31 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 M 8.44 4.23 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 -1 N 7.96 4.47 0.00 2.79 3.06 0.00 0.00 6.82 7.63 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 S 7.82 4.16 0.00 4.00 3.88 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 1 M 8.10 4.01 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 2 A 7.79 4.32 1.61 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 0.00 0.00 3 L 8.22 3.60 0.00 2.02 2.09 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.21 3.83 0.00 1.88 2.01 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 5 R 8.11 3.83 0.00 1.95 2.11 0.00 3.13 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 6 I 7.77 3.41 1.61 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 0.08 0.16 0.28 0.00 0.00 7 N 8.41 4.29 0.00 2.91 2.90 0.00 0.00 6.68 7.23 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 8 K 7.84 3.85 0.00 1.82 2.01 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.53 7.81 9 E 8.12 4.03 0.00 2.28 2.17 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 2.44 2.59 0.00 10 L 8.16 4.35 0.00 2.18 1.95 0.47 0.68 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 11 S 8.52 4.22 0.00 4.04 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 12 D 8.16 4.65 0.00 2.83 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 13 L 7.77 5.16 0.00 1.78 1.76 1.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.56 4.38 1.30 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 15 R 7.70 4.44 0.00 1.85 2.01 0.00 3.22 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 16 D 7.46 4.29 0.00 2.75 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 17 P 0.00 4.95 0.00 2.10 1.98 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 18 P 0.00 4.37 0.00 2.22 2.02 0.00 3.65 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 2.18 2.14 0.00 19 A 8.40 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.93 3.66 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 C 7.76 5.23 0.00 2.90 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 22 S 8.86 4.78 0.00 3.90 3.67 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 23 A 8.60 5.19 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 24 G 8.72 3.63 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 0.00 0.00 0.00 25 P 0.00 4.66 0.00 1.96 2.10 0.00 3.18 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.50 0.00 26 V 8.81 3.84 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 0.51 0.00 0.00 0.85 0.00 0.00 27 G 8.55 3.85 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 0.00 0.00 0.00 28 D 8.97 4.84 0.00 2.84 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 29 D 7.82 4.69 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.91 4.44 0.00 2.35 2.18 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 2.65 2.65 0.00 31 F 9.05 4.67 0.00 3.06 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 32 H 8.65 5.26 0.00 3.31 3.22 0.00 5.52 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 9.59 5.64 0.00 3.25 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 34 Q 9.17 5.28 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 35 A 8.77 5.50 1.27 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 0.00 0.00 36 T 9.41 5.17 4.19 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 1.52 0.00 0.00 37 I 8.15 5.06 2.09 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 1.26 0.98 1.06 0.00 0.00 38 M 8.86 4.12 0.00 1.92 2.11 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 2.60 2.88 0.00 39 G 8.50 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 0.00 0.00 0.00 0.00 40 P 0.00 5.20 0.00 2.18 2.13 0.00 3.88 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 2.14 2.19 0.00 41 N 8.70 4.77 0.00 2.73 2.89 0.00 0.00 6.80 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 42 D 8.02 4.92 0.00 2.65 2.69 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 43 S 7.63 4.89 0.00 4.47 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 44 P 0.00 4.33 0.00 1.30 1.94 0.00 3.33 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.10 0.00 45 Y 7.69 4.88 0.00 3.22 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 46 Q 6.96 4.98 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 47 G 8.58 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 0.00 0.00 0.00 0.00 48 G 7.65 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.56 4.40 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 0.58 0.00 0.00 0.62 0.00 0.00 50 F 8.61 4.86 0.00 3.21 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.37 5.19 0.00 3.05 2.94 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 52 L 9.22 5.33 0.00 1.46 1.34 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.82 5.09 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 54 I 8.92 4.54 1.60 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 1.02 0.71 -0.23 0.00 0.00 55 H 9.15 5.03 0.00 2.92 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.76 4.34 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.46 0.00 2.31 2.02 0.00 3.61 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 2.27 2.03 0.00 58 T 8.52 4.36 4.24 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 1.23 0.00 0.00 59 D 8.07 4.88 0.00 2.92 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 60 Y 7.97 4.54 0.00 3.23 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 61 P 0.00 3.81 0.00 1.95 1.37 0.00 3.87 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 1.63 1.70 0.00 62 F 8.67 4.13 0.00 3.30 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 63 K 7.95 4.72 0.00 1.78 1.68 0.00 1.92 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.49 7.81 64 P 0.00 2.97 0.00 1.83 1.42 0.00 3.66 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 65 P 0.00 4.16 0.00 1.41 1.33 0.00 2.79 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 66 K 8.40 4.21 0.00 1.73 1.66 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.26 7.81 67 V 8.18 5.39 1.84 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 0.65 0.00 0.00 0.80 0.00 0.00 68 A 7.99 4.57 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 69 F 9.21 4.67 0.00 3.03 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 70 T 9.10 4.36 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 1.29 0.00 0.00 71 T 8.25 4.40 4.70 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 1.43 0.00 0.00 72 R 8.60 4.06 0.00 1.03 1.36 0.00 3.36 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.00 73 I 7.92 4.56 1.52 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 1.00 0.25 0.24 0.00 0.00 74 Y 8.88 3.86 0.00 1.94 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 75 H 7.55 4.75 0.00 2.99 2.84 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.22 0.00 1.94 1.85 0.00 2.88 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 77 N 8.31 4.88 0.00 2.77 2.75 0.00 0.00 6.91 7.32 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 78 I 7.64 5.38 1.61 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.78 0.74 0.00 0.00 79 N 8.41 4.92 0.00 2.92 2.92 0.00 0.00 5.97 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.75 4.19 0.00 4.02 4.13 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 0.00 0.00 0.00 81 N 8.25 4.39 0.00 2.88 2.93 0.00 0.00 7.00 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 82 G 8.28 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 0.00 0.00 0.00 83 S 8.40 4.49 0.00 4.03 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 84 I 8.13 4.96 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.94 0.00 0.00 85 C 8.07 4.53 0.00 2.95 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 86 L 7.68 4.80 0.00 1.70 1.53 0.93 1.07 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 87 D 8.87 4.41 0.00 2.69 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 88 I 7.90 3.76 1.95 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 1.67 0.37 1.07 0.00 0.00 89 L 7.84 4.48 0.00 1.75 1.65 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.16 4.80 0.00 1.81 1.73 0.00 3.29 0.00 0.00 3.16 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 91 S 8.76 4.80 0.00 3.88 3.88 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 92 Q 7.79 5.56 0.00 2.07 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 93 W 8.16 4.46 0.00 3.69 3.05 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 94 S 7.31 4.42 0.00 3.60 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 95 P 0.00 4.32 0.00 1.64 1.48 0.00 3.47 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 96 A 7.29 3.91 1.07 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 0.00 0.00 97 L 7.05 3.91 0.00 0.27 1.16 0.69 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.98 5.12 4.52 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 1.25 0.00 0.00 99 I 9.06 3.76 2.10 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.05 1.07 0.00 0.00 100 S 8.35 4.18 0.00 3.97 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 0.00 101 K 7.94 4.06 0.00 2.04 1.86 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 102 V 7.91 3.64 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 1.05 0.00 0.00 1.17 0.00 0.00 103 L 8.04 4.00 0.00 1.98 1.75 1.01 0.47 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 0.00 104 L 7.55 3.98 0.00 2.09 1.74 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.85 4.26 0.00 3.91 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.83 3.95 2.04 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 1.52 0.87 0.93 0.00 0.00 107 C 8.28 4.21 0.00 3.13 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 0.00 108 S 8.25 4.29 0.00 4.00 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 0.00 109 L 7.59 4.78 0.00 1.86 1.82 0.95 0.69 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 0.00 110 L 7.66 4.19 0.00 1.84 1.63 0.72 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.18 4.44 0.00 3.03 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 0.00 112 D 7.85 4.69 0.00 2.82 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 0.00 113 P 0.00 4.44 0.00 1.14 1.51 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.20 0.00 114 N 8.58 4.66 0.00 2.62 2.68 0.00 0.00 6.91 7.59 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 0.00 115 P 0.00 4.47 0.00 1.91 1.86 0.00 3.48 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.30 0.00 116 D 7.80 4.54 0.00 2.60 2.69 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 0.00 117 D 7.57 4.74 0.00 2.54 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 4.70 0.00 2.13 1.92 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 119 L 8.58 4.13 0.00 1.48 1.68 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.22 4.24 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 1.05 0.00 0.00 0.90 0.00 0.00 121 P 0.00 4.18 0.00 2.18 2.08 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 122 E 8.27 3.94 0.00 2.06 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 2.45 2.53 0.00 123 I 7.65 3.70 1.74 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.41 0.56 0.00 0.00 124 A 7.86 3.85 1.30 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 0.00 125 R 8.27 3.93 0.00 1.98 2.00 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 126 I 7.46 3.74 2.16 0.00 0.00 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 1.53 0.65 1.17 0.00 0.00 127 Y 7.90 3.67 0.00 2.48 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 0.00 128 K 7.85 4.10 0.00 1.97 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.67 7.81 129 T 8.08 4.26 4.24 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 1.26 0.00 0.00 130 D 8.20 4.66 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.41 3.75 0.00 1.75 1.83 0.00 2.78 0.00 0.00 2.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 132 D 8.11 4.38 0.00 2.81 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 0.00 133 K 7.98 3.74 0.00 2.02 2.04 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 134 Y 8.02 4.23 0.00 3.15 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 0.00 135 N 8.68 3.85 0.00 2.70 2.78 0.00 0.00 6.78 8.17 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 0.00 136 R 7.87 3.75 0.00 1.90 2.07 0.00 3.09 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 137 I 7.66 3.60 1.26 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.45 -0.74 0.00 0.00 138 S 7.90 3.92 0.00 3.31 3.06 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 0.00 139 R 7.78 4.02 0.00 1.95 1.93 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 140 E 8.39 3.97 0.00 2.29 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 0.00 2.32 2.52 0.00 141 W 8.64 4.30 0.00 3.68 3.72 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 0.00 142 T 8.63 4.35 4.51 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 0.00 0.00 1.45 0.00 0.00 143 Q 8.16 4.00 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 144 K 7.37 4.12 0.00 1.62 1.66 0.00 1.17 0.00 0.00 1.21 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.50 0.21 7.81 145 Y 8.14 4.65 0.00 3.25 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 0.00 146 A 7.27 4.62 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 M 7.81 4.07 0.00 2.02 1.95 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 2.49 2.68 0.00