NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4065 8.3044 120.3203 54.3693 34.6025 175.7060 2 D 4.4039 7.1225 114.9131 51.8851 44.5096 171.1877 3 D 4.7719 7.8806 118.3784 53.0492 42.8756 176.1240 4 R 4.4761 8.1604 115.4544 57.1351 29.7408 174.9265 5 T 4.1760 8.5540 109.3668 62.9699 69.3185 174.5213 6 E 4.4757 7.6792 118.2074 56.4713 31.0851 174.7655 7 Y 5.0280 7.4733 114.7345 55.8079 42.0465 174.6846 8 D 4.6234 8.9516 121.3632 54.8858 41.8444 176.2696 9 V 4.3063 8.1977 122.9330 61.9379 33.1427 176.5999 10 Y 4.7592 8.5435 127.1073 57.7592 36.1467 174.3929 11 T 4.8415 7.1230 111.7130 58.8383 72.3350 170.9761 12 D 4.7300 8.9949 127.5310 57.0633 38.9497 173.3178 13 G 4.7800 9.0446 113.1927 46.4739 0.0000 171.2330 14 S 4.3033 7.5702 115.0175 57.7870 65.1982 175.1848 15 Y 4.5891 7.2074 123.2166 56.6853 39.7580 173.2683 16 V 4.1588 7.4481 119.9633 60.8120 32.7811 173.2656 17 N 4.5222 9.5142 126.4251 53.1442 38.3890 175.3547 18 G 4.0272 7.5740 103.7006 46.0860 0.0000 172.0646 19 Q 4.7246 7.9122 122.1795 53.9237 31.4240 173.5797 20 Y 5.1152 8.0390 114.9730 55.2557 40.9072 174.4151 21 A 4.7856 8.8017 123.2395 49.8334 22.9017 174.8643 22 W 4.9203 8.2366 116.8008 54.6257 31.1689 174.7814 23 A 4.4377 8.2288 125.2003 50.5677 21.9682 173.6566 24 Y 5.5527 7.8813 114.6009 57.2100 40.3926 173.4010 25 A 5.1312 9.0373 122.4141 50.4772 21.0070 175.9226 26 F 4.9481 9.2248 121.0687 55.8558 42.1100 175.0552 27 V 4.7184 8.2158 121.5239 61.3920 34.7561 174.0944 28 K 4.5153 8.9646 127.0604 55.3410 35.3330 176.3393 29 D 4.3392 9.9941 122.7695 54.8289 40.3093 173.9254 30 G 3.9401 9.6008 103.8230 45.3157 0.0000 173.3571 31 K 4.5784 7.7319 116.5096 54.4500 35.7098 175.4291 32 V 4.0301 8.3820 119.7560 64.0351 31.7605 174.3101 33 H 4.6395 8.6981 126.9179 57.5065 31.3123 173.2927 34 Y 5.2810 7.5485 112.2141 56.1609 42.3503 174.7267 35 E 5.0538 8.2847 112.7142 57.2801 30.9052 175.5289 36 D 4.1939 8.3104 121.7253 53.6173 43.8267 175.2404 37 A 4.3664 8.0084 126.7957 50.8501 22.2389 175.0807 38 D 4.0620 7.0928 113.6980 53.1517 45.4173 175.4361 39 V 4.1257 7.9755 122.0661 60.9838 33.9808 176.0378 40 G 4.3109 7.1052 114.8124 44.8065 0.0000 173.4623 41 K 4.3830 8.6022 124.9565 57.5183 34.9217 175.5444 42 N 4.4364 7.8749 116.6913 52.8531 39.4082 173.9672 43 P 4.2680 0.0000 0.0000 65.9046 31.7955 178.3862 44 A 3.8015 8.0835 120.5361 54.1142 18.1548 177.7889 45 A 4.0822 7.4063 115.1693 52.4319 19.9827 177.3864 46 A 4.6919 7.7765 117.6533 52.1535 19.0646 177.2000 47 T 4.5345 7.6104 109.9973 63.1250 68.9421 173.6779 48 M 4.4054 7.6726 119.6852 56.3519 32.5180 176.5314 49 R 3.7607 8.5371 113.8186 57.3349 27.9098 176.6610 50 N 4.2600 8.1654 111.5470 54.4047 36.6415 176.5619 51 V 3.5623 7.7162 120.2872 65.9860 31.5509 177.8257 52 A 4.0049 7.9853 120.1727 55.1666 17.4495 179.8036 53 G 3.9043 7.6339 103.3906 47.9948 0.0000 175.6477 54 E 4.0893 8.1026 120.8999 59.6262 29.4672 179.8155 55 I 3.8817 7.9600 119.9981 63.2319 37.1612 177.8938 56 A 3.7969 7.9709 121.8987 55.2799 18.0740 179.1356 57 A 4.4179 7.9122 117.9658 55.9072 18.2752 179.6113 58 A 4.0912 7.6275 117.3447 55.8792 18.6059 179.2403 59 L 4.2617 7.7930 119.2041 57.3509 41.7522 179.0364 60 Y 4.0503 7.1494 116.2458 60.8145 38.0652 178.7230 61 A 3.8505 8.4710 122.6666 54.9815 18.3304 179.8516 62 V 3.3277 7.2812 116.5781 65.6829 31.3085 178.1584 63 K 3.7668 7.3420 116.6459 59.7618 32.1440 178.9187 64 K 4.2166 8.0438 117.7759 59.0160 31.8979 179.0837 65 A 3.7487 7.6698 120.9889 55.3326 17.9587 179.5473 66 S 4.1474 7.8943 111.4985 61.2341 62.2036 176.4323 67 Q 4.0768 8.0520 120.6839 58.6480 28.6352 177.6453 68 L 4.4014 7.9064 116.3942 54.1680 41.9661 177.1909 69 G 3.9087 7.3600 106.5519 46.2566 0.0000 173.8941 70 V 4.3353 7.1912 112.9826 59.3041 33.9332 174.9921 71 K 4.6387 8.0770 117.5531 55.0305 35.7143 176.4054 72 I 4.2609 7.9663 114.8209 58.6752 39.7979 174.9095 73 R 3.9333 8.5932 120.5233 57.1124 29.8565 175.5524 74 I 4.2678 8.1947 116.8811 61.7794 39.6787 175.4070 75 L 3.9324 7.8373 120.2836 55.8314 39.7355 175.9262 76 H 4.1304 8.4267 123.5148 56.0593 26.5476 176.4100 77 D 4.3283 8.2570 118.0055 57.6310 40.6966 174.7732 78 Y 3.2873 7.4748 116.4800 54.5272 36.4588 173.9639 79 A 3.9777 7.8705 123.4714 52.2280 18.5929 177.6956 80 G 4.4500 8.7268 102.1205 48.3626 0.0000 176.2921 81 I 4.0133 7.7299 117.9564 64.1297 36.7916 177.5427 82 A 3.8893 7.9889 119.3016 53.0136 18.0302 178.9865 83 F 4.0002 7.9318 120.5630 60.8077 39.5627 176.9325 84 W 4.1184 7.9463 114.7611 58.2314 28.2568 177.7026 85 A 3.2684 6.6013 120.9850 54.6747 17.6753 179.1713 86 T 3.9552 6.8935 107.2947 62.6122 69.7994 174.9725 87 G 4.0288 8.1466 110.2461 46.6053 0.0000 172.2242 88 E 4.5119 8.3139 122.8628 57.4962 31.2172 176.4117 89 W 4.9216 7.8965 115.5431 54.4618 32.9638 174.1647 90 K 3.9981 8.9525 120.9772 56.6996 32.1496 177.5702 91 A 4.0775 8.6392 126.1133 55.0986 18.6989 179.0393 92 K 3.8956 8.2527 116.0376 59.2997 32.3616 176.8029 93 N 3.8092 7.5929 115.4659 54.9029 38.9199 174.1033 94 E 3.7122 8.4256 128.0320 55.5598 30.0991 173.4517 95 F 4.3949 8.3247 116.9514 57.6288 39.3602 178.0219 96 T 3.9125 7.8926 119.5508 66.6591 68.7711 175.7413 97 Q 4.2359 8.7883 122.9546 58.6962 28.8122 178.2919 98 A 4.0549 8.1374 121.4046 55.5762 18.1403 178.7883 99 Y 4.3022 8.4970 118.0262 61.2775 38.6815 178.4357 100 A 3.7182 7.8200 119.9165 54.9107 18.2084 179.6285 101 K 4.0042 7.7806 116.5032 59.6771 32.1985 179.4192 102 L 3.8291 8.2005 117.7308 57.7080 41.6930 178.5544 103 M 4.5681 7.5521 119.7782 58.2086 31.9681 177.4348 104 N 4.1983 7.9217 116.4937 56.6110 38.9134 176.4374 105 Q 3.9463 7.0270 119.3983 58.3999 29.4737 177.2256 106 Y 4.9313 7.1191 117.2678 56.4425 38.6580 174.6284 107 R 4.5685 7.9594 121.2770 55.6266 30.7105 176.7059 108 G 5.0648 8.0118 126.9360 46.4936 0.0000 172.7728 109 I 4.2461 7.7036 112.6774 61.1134 39.4824 174.5347 110 Y 4.9286 7.8461 117.5505 55.0165 40.6914 173.9688 111 S 4.5309 8.1345 113.8517 57.5097 66.8035 173.2021 112 F 4.3600 7.9686 119.4811 57.3331 42.5002 173.1994 113 E 4.3870 8.6346 121.6330 54.8621 31.2892 175.5281 114 K 3.9411 8.2845 120.9575 56.5229 32.4681 176.8104 115 V 3.8744 7.8921 119.6339 59.1062 32.5816 175.2820 116 K 4.0171 8.1363 126.6909 56.2990 32.3921 179.7660 117 A 4.3177 8.4247 125.1562 53.6419 22.6946 174.1185 118 H 3.9218 8.2355 120.9517 55.7808 30.7998 173.9731 119 S 4.4188 7.1790 115.2563 58.4608 65.0072 174.4980 120 G 3.0993 8.8750 110.1849 44.6834 0.0000 171.9829 121 N 3.9970 6.8555 124.3961 53.8686 43.0432 174.1427 122 E 4.2968 7.6927 116.7488 55.9719 30.2604 177.1720 123 F 4.1302 7.0802 117.6261 60.4979 37.4319 177.0450 124 N 4.6563 7.4229 117.0207 56.0184 37.4945 176.7346 125 D 4.5556 8.0138 121.1967 57.2080 40.9317 178.0427 126 Y 4.2495 8.3171 119.7302 61.0126 38.6875 178.4759 127 V 3.9006 8.4641 113.0145 64.0441 31.1498 178.2727 128 D 4.3881 8.5108 119.5345 57.6828 40.5042 178.3988 129 M 3.9433 7.6881 116.6485 58.1941 32.5422 177.6668 130 K 3.8651 7.4693 119.2350 59.5660 32.4689 178.4823 131 A 4.0260 8.3894 121.3050 55.2478 18.0653 179.2291 132 K 3.8430 7.6932 117.5282 59.9477 31.8436 178.8517 133 S 3.8069 7.8603 112.5674 60.7185 62.1937 175.6505 134 A 4.4212 7.5343 122.4676 54.7464 18.5722 178.5882 135 L 4.1579 8.1989 118.3309 58.7954 43.5043 175.8603 136 G 3.0376 6.1307 106.2554 44.7527 0.0000 172.3363 137 I 4.5441 7.0946 123.0339 59.7700 40.9803 175.8653 138 R 4.3446 8.0386 121.8315 55.2140 31.4713 174.7893 139 D 4.2838 7.8067 117.0282 55.3683 43.8534 176.1476 140 L 4.3768 8.0014 115.2169 54.3064 43.3750 173.6407 141 E 4.6963 8.1030 121.3038 56.1351 33.2620 175.9665 142 H 4.7381 8.2249 115.6057 54.9162 29.0167 171.8602 143 H 4.6871 7.8577 123.9380 55.9886 32.5576 171.5776 144 H 4.4638 7.4737 117.1775 55.8448 30.1932 171.4423 145 H 4.9113 8.5108 118.2133 55.1583 32.9802 171.2992 146 H 4.8760 8.3181 116.0380 54.6319 32.4206 173.2477 147 H 4.2772 8.6251 121.9271 56.9097 29.5124 173.2030 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 8.30 4.41 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 D 7.12 4.40 0.00 2.76 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.77 0.00 2.72 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 4 R 8.16 4.48 0.00 1.87 1.96 0.00 3.03 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 5 T 8.55 4.18 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 1.25 0.00 0.00 6 E 7.68 4.48 0.00 1.22 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 7 Y 7.47 5.03 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.95 4.62 0.00 2.89 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 9 V 8.20 4.31 2.27 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 1.09 0.00 0.00 1.05 0.00 0.00 10 Y 8.54 4.76 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 11 T 7.12 4.84 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 1.50 0.00 0.00 12 D 8.99 4.73 0.00 3.05 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 13 G 9.04 4.78 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 14 S 7.57 4.30 0.00 3.67 3.76 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 15 Y 7.21 4.59 0.00 3.18 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.45 4.16 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 0.79 0.00 0.00 0.91 0.00 0.00 17 N 9.51 4.52 0.00 2.89 2.92 0.00 0.00 7.00 7.98 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 18 G 7.57 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.91 4.72 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.40 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 20 Y 8.04 5.12 0.00 3.07 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 21 A 8.80 4.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 W 8.24 4.92 0.00 3.59 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 23 A 8.23 4.44 1.03 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 0.00 0.00 0.00 0.00 0.00 24 Y 7.88 5.55 0.00 3.31 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 25 A 9.04 5.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.22 4.95 0.00 3.15 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 27 V 8.22 4.72 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 0.95 0.00 0.00 1.00 0.00 0.00 28 K 8.96 4.52 0.00 1.35 1.43 0.00 1.70 0.00 0.00 1.47 0.00 0.00 2.61 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.18 0.99 7.81 29 D 9.99 4.34 0.00 2.72 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 30 G 9.60 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.73 4.58 0.00 1.93 1.87 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.40 7.81 32 V 8.38 4.03 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 0.87 0.00 0.00 0.97 0.00 0.00 33 H 8.70 4.64 0.00 3.07 2.97 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.55 5.28 0.00 2.87 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 35 E 8.28 5.05 0.00 1.96 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 2.10 2.16 0.00 36 D 8.31 4.19 0.00 2.49 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 0.00 0.00 0.00 0.00 37 A 8.01 4.37 0.91 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 38 D 7.09 4.06 0.00 1.58 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 39 V 7.98 4.13 1.85 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 0.62 0.00 0.00 0.68 0.00 0.00 40 G 7.11 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 41 K 8.60 4.38 0.00 1.84 1.85 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.23 7.81 42 N 7.87 4.44 0.00 2.95 2.83 0.00 0.00 6.94 8.07 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 43 P 0.00 4.27 0.00 2.20 2.30 0.00 3.73 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 2.05 1.96 0.00 44 A 8.08 3.80 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.41 4.08 0.92 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 46 A 7.78 4.69 1.48 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 0.00 0.00 47 T 7.61 4.53 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 1.20 0.00 0.00 48 M 7.67 4.41 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 49 R 8.54 3.76 0.00 1.85 1.92 0.00 3.25 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 50 N 8.17 4.26 0.00 2.92 3.11 0.00 0.00 6.80 7.89 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 51 V 7.72 3.56 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 0.84 0.00 0.00 0.85 0.00 0.00 52 A 7.99 4.00 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 53 G 7.63 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 0.00 0.00 0.00 54 E 8.10 4.09 0.00 2.20 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 2.57 0.00 55 I 7.96 3.88 1.66 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.83 0.18 0.00 0.00 56 A 7.97 3.80 1.47 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 57 A 7.91 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.63 4.09 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 59 L 7.79 4.26 0.00 1.04 1.38 0.77 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.15 4.05 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 61 A 8.47 3.85 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.28 3.33 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 1.07 0.00 0.00 0.03 0.00 0.00 63 K 7.34 3.77 0.00 1.84 1.88 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.24 7.81 64 K 8.04 4.22 0.00 2.17 2.20 0.00 2.02 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.75 7.81 65 A 7.67 3.75 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 66 S 7.89 4.15 0.00 3.91 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.05 4.08 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 68 L 7.91 4.40 0.00 1.53 1.68 0.83 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.36 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 70 V 7.19 4.34 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 0.79 0.00 0.00 0.83 0.00 0.00 71 K 8.08 4.64 0.00 1.70 1.71 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 72 I 7.97 4.26 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.87 0.00 0.00 73 R 8.59 3.93 0.00 1.87 2.08 0.00 3.24 0.00 0.00 3.55 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 74 I 8.19 4.27 1.82 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 1.40 0.80 1.01 0.00 0.00 75 L 7.84 3.93 0.00 1.62 1.67 0.83 1.04 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 76 H 8.43 4.13 0.00 3.24 3.27 0.00 5.74 0.00 0.00 0.00 0.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.26 4.33 0.00 2.50 2.29 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 78 Y 7.47 3.29 0.00 3.34 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 79 A 7.87 3.98 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.73 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.73 4.01 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.04 0.47 0.00 0.00 82 A 7.99 3.89 0.75 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 0.00 0.00 83 F 7.93 4.00 0.00 3.15 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 84 W 7.95 4.12 0.00 3.62 3.31 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 85 A 6.60 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 6.89 3.96 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 1.13 0.00 0.00 87 G 8.15 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.31 4.51 0.00 2.23 2.32 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 2.35 2.42 0.00 89 W 7.90 4.92 0.00 3.25 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 90 K 8.95 4.00 0.00 2.09 1.91 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.67 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.57 7.81 91 A 8.64 4.08 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 92 K 8.25 3.90 0.00 1.76 1.89 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.41 7.81 93 N 7.59 3.81 0.00 3.05 2.66 0.00 0.00 5.96 5.53 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 94 E 8.43 3.71 0.00 2.03 1.85 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 2.14 2.25 0.00 95 F 8.32 4.39 0.00 3.08 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 96 T 7.89 3.91 4.21 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 0.74 0.00 0.00 97 Q 8.79 4.24 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 98 A 8.14 4.05 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 99 Y 8.50 4.30 0.00 3.05 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 0.00 100 A 7.82 3.72 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 0.00 101 K 7.78 4.00 0.00 1.91 1.82 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.66 7.81 102 L 8.20 3.83 0.00 1.82 1.65 0.92 0.82 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 0.00 103 M 7.55 4.57 0.00 2.07 1.83 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 2.55 2.57 0.00 104 N 7.92 4.20 0.00 2.79 2.72 0.00 0.00 6.52 6.67 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 0.00 105 Q 7.03 3.95 0.00 1.73 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.23 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 106 Y 7.12 4.93 0.00 3.21 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 0.00 107 R 7.96 4.57 0.00 1.80 1.85 0.00 3.50 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 108 G 8.01 5.06 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 0.00 0.00 0.00 109 I 7.70 4.25 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.09 0.95 0.00 0.00 110 Y 7.85 4.93 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 0.00 111 S 8.13 4.53 0.00 3.72 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 0.00 112 F 7.97 4.36 0.00 3.14 2.89 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 0.00 113 E 8.63 4.39 0.00 1.83 1.77 0.00 0.00 0.00 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 2.24 0.00 114 K 8.28 3.94 0.00 1.64 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 115 V 7.89 3.87 2.23 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 -0.29 0.00 0.00 0.61 0.00 0.00 116 K 8.14 4.02 0.00 1.97 1.84 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.47 7.81 117 A 8.42 4.32 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.24 3.92 0.00 3.30 3.49 0.00 6.01 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.18 4.42 0.00 3.26 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 0.00 120 G 8.88 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 0.00 0.00 0.00 121 N 6.86 4.00 0.00 2.80 2.33 0.00 0.00 6.65 7.80 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 0.00 122 E 7.69 4.30 0.00 2.09 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 2.17 2.20 0.00 123 F 7.08 4.13 0.00 3.25 2.40 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 0.00 124 N 7.42 4.66 0.00 3.20 3.24 0.00 0.00 5.52 7.83 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 0.00 125 D 8.01 4.56 0.00 3.02 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 0.00 126 Y 8.32 4.25 0.00 3.13 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 0.00 127 V 8.46 3.90 2.54 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 1.14 0.00 0.00 1.20 0.00 0.00 128 D 8.51 4.39 0.00 2.71 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 0.00 129 M 7.69 3.94 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 130 K 7.47 3.87 0.00 1.50 1.78 0.00 1.96 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.87 7.81 131 A 8.39 4.03 1.49 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 0.00 0.00 132 K 7.69 3.84 0.00 1.95 1.74 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.38 7.81 133 S 7.86 3.81 0.00 3.48 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 0.00 134 A 7.53 4.42 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 0.00 0.00 0.00 0.00 0.00 135 L 8.20 4.16 0.00 1.56 1.82 0.83 1.09 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 0.00 136 G 6.13 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 0.00 0.00 0.00 137 I 7.09 4.54 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.87 0.00 0.00 138 R 8.04 4.34 0.00 1.78 1.85 0.00 3.26 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 139 D 7.81 4.28 0.00 2.54 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.00 4.38 0.00 1.62 1.55 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.10 4.70 0.00 1.89 1.80 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 2.12 2.21 0.00 142 H 8.22 4.74 0.00 3.20 3.29 0.00 5.76 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 0.00 143 H 7.86 4.69 0.00 3.00 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 7.47 4.46 0.00 3.20 3.26 0.00 5.52 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.51 4.91 0.00 3.07 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.32 4.88 0.00 3.10 3.10 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.63 4.28 0.00 3.07 3.16 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00