NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2722 8.2644 123.5827 52.3182 20.1395 176.3427 2 T 4.4035 7.9266 114.8003 59.0758 71.1002 173.5236 3 L 3.9768 9.1490 126.8284 58.3671 42.3637 178.8100 4 K 4.0769 8.0799 117.8051 59.4252 32.0950 179.0019 5 E 3.9790 8.0967 118.2615 59.5181 29.6131 179.2122 6 V 3.7370 7.8048 118.1884 66.0491 31.5781 177.2741 7 E 3.9317 8.7714 119.4429 59.9446 29.3186 178.6536 8 M 4.1090 7.7255 116.9445 58.1202 32.2734 178.4544 9 R 3.8350 7.8026 118.1767 59.0162 30.2390 178.4974 10 L 3.7877 8.2727 119.1173 58.1009 41.6261 179.9532 11 K 4.1873 7.6362 117.2559 59.0932 31.7574 179.5560 12 S 4.0003 7.6279 113.5192 61.5991 62.3033 176.3387 13 I 3.7210 7.7045 122.4229 63.8818 36.7797 178.3230 14 K 3.8785 8.4327 121.1328 59.4421 31.8351 178.6890 15 N 4.3155 8.4340 117.1565 56.4436 38.3794 177.5667 16 I 3.7583 7.5391 121.0800 64.0738 36.6948 178.0759 17 E 3.9826 8.3773 120.7075 58.9152 29.1595 178.8857 18 K 4.0319 8.0168 118.7780 59.0765 32.0426 179.4758 19 I 3.8659 7.5810 120.4800 64.4782 37.1426 178.5009 20 T 3.9188 7.6635 110.7249 64.5644 68.6282 176.4889 21 K 4.0546 7.7405 123.5142 58.8747 31.9508 178.7027 22 T 4.0216 7.6400 112.0639 64.9197 67.2676 176.0977 23 M 4.0552 8.1352 120.3733 58.1035 32.3124 178.0559 24 K 4.0925 7.9063 119.9483 58.7438 31.8088 178.3240 25 I 4.4126 7.3073 113.2756 61.9536 37.7959 178.1999 26 V 3.6132 7.3523 119.3837 65.7772 31.6076 177.4806 27 A 4.1388 7.7290 119.5431 54.8918 18.3611 179.6013 28 S 4.1022 7.7130 111.4810 62.0137 62.7729 176.9882 29 T 4.1168 7.6372 118.1653 66.0168 67.9260 176.1983 30 R 4.2636 7.6732 117.7933 57.2682 29.9836 177.7064 31 L 4.1029 7.5026 119.4460 58.5789 41.6518 178.7410 32 S 4.1635 7.9604 114.1344 61.2618 61.4803 176.4016 33 K 3.7636 8.0980 122.3811 58.7078 32.1529 178.1627 34 A 4.5328 7.6875 119.5512 54.2122 18.7949 179.3530 35 E 3.9914 8.2078 117.7127 59.5291 29.6660 179.5486 36 K 4.0430 7.7480 118.0638 59.2689 32.1580 179.2501 37 A 4.0904 7.5964 119.2275 54.7190 18.1726 179.5685 38 K 3.9893 7.9719 117.9105 59.3297 32.1381 178.7780 39 I 3.8416 7.6987 118.5270 63.4992 37.9210 177.4959 40 S 4.2172 8.1014 113.0927 60.4854 61.9836 175.6754 41 A 4.1386 7.7194 122.6641 54.5141 18.3139 179.0876 42 K 4.0740 7.8451 118.4029 59.3079 32.5557 179.3918 43 K 3.8699 7.8857 118.6507 59.4532 32.6156 178.8471 44 M 4.8347 7.6075 117.3799 55.0425 30.9099 175.7384 45 D 4.6732 7.1710 117.5561 55.2299 45.5477 175.3332 46 E 4.0116 8.2014 120.2187 59.3179 29.8351 178.3770 47 A 4.2985 7.2344 117.0083 52.6457 19.2506 177.6798 *77 I 4.3016 7.5037 108.5488 60.5932 40.7865 174.7442 78 T 4.0761 7.3233 119.5418 62.5587 72.9537 173.7397 *91 L 4.0503 8.8761 115.7240 54.6955 42.4584 177.0285 92 A 4.0458 7.5813 121.8487 54.4804 19.6666 178.9862 93 K 4.3063 7.5417 117.0517 55.6918 31.7154 176.8606 94 A 4.2460 7.4517 120.7507 52.4285 21.7907 178.2515 95 V 3.9105 7.3884 107.7033 63.0307 32.8368 178.1815 96 R 4.0353 7.4795 115.3834 57.9291 30.0663 178.6410 97 R 3.9713 7.8527 118.7599 58.9888 30.1662 176.7285 98 H 4.6310 7.6536 113.8934 55.9791 28.6524 176.3199 99 L 4.8045 7.3776 123.9505 56.1901 42.2185 177.4889 100 N 4.6667 7.5739 113.4615 54.5742 38.7829 175.0991 101 D 4.6838 7.7078 115.6952 52.6034 42.3000 174.8854 102 Q 4.3467 8.1365 121.3010 53.8569 31.2802 172.9810 103 P 4.2642 0.0000 0.0000 64.4518 31.6440 176.0128 104 N 4.5840 7.5311 112.0237 51.9414 39.4897 173.9874 *108 V 3.8553 8.0250 118.2597 62.1592 32.4836 175.2746 109 T 4.3861 8.0053 114.7905 61.8357 69.8962 173.9389 110 I 4.4603 7.9306 129.9719 59.5653 37.1588 174.8309 *112 D 4.5300 7.7939 119.9440 53.4280 43.2856 176.2451 113 K 3.9008 7.7851 118.4350 58.0504 33.0812 177.6704 114 I 3.8278 7.5866 118.1074 63.2160 38.4402 177.4247 115 K 4.0152 7.4849 120.5259 59.6690 32.0173 178.2358 116 M 4.2332 7.9202 117.2372 57.4990 32.1848 177.7297 117 Q 4.2155 7.4505 118.7276 57.5517 29.3320 176.0672 118 L 5.1537 7.5264 118.3700 53.6657 42.3812 178.6204 119 L 3.9901 8.1278 122.0452 58.3796 42.0817 178.0958 120 R 4.2568 7.7866 113.6014 57.1651 30.3400 177.5622 121 T 4.1805 7.1543 115.8988 65.0041 69.3049 173.4385 122 H 5.0265 8.1245 117.8361 53.7301 32.5454 172.7120 123 P 4.6192 0.0000 0.0000 61.2008 29.9274 174.8777 124 N 4.4562 8.1297 115.9591 54.6129 41.1450 174.3966 *131 N 4.6297 8.2633 112.7131 52.1580 38.5758 174.5842 132 G 4.1641 7.7475 103.2896 45.6833 0.0000 173.7233 133 I 4.6240 8.1570 112.5736 57.8443 40.5865 175.5608 134 G 5.0040 8.5333 127.0700 46.5417 0.0000 173.6518 *136 D 4.2623 7.6694 117.8259 53.7162 41.3440 173.5802 137 A 3.7767 7.7699 126.8520 48.5520 22.3023 173.9050 138 P 4.0894 0.0000 0.0000 63.4191 31.0089 176.6325 139 T 4.5445 8.0013 114.0660 59.9342 72.3486 175.0323 140 F 4.0411 8.4956 122.7705 61.2982 39.4638 177.0522 141 Q 3.9158 8.1765 118.8003 59.0212 28.8188 177.9687 142 E 3.8895 7.6873 118.8474 59.7297 29.4442 179.6509 143 S 4.0515 7.4761 114.3147 61.2789 62.8264 176.6213 144 A 3.8069 7.8841 123.8730 54.6943 18.0519 179.7479 145 L 3.9287 8.0306 117.8644 57.8883 41.5387 179.6003 146 I 3.6710 7.5228 118.5362 64.3203 37.3170 177.9906 147 A 4.0766 8.0904 121.6681 55.1871 18.0426 179.1748 148 D 4.3079 7.9863 116.5680 57.2456 41.4084 177.9995 149 K 4.1400 8.1162 119.0500 58.1023 32.1689 178.1082 150 L 4.2440 7.7592 118.6701 56.7852 41.3391 177.9165 151 L 4.4335 7.4527 118.1454 55.4325 41.7061 177.0708 152 S 4.8401 7.7092 114.3446 57.7186 64.1938 174.1800 153 V 4.6484 7.8892 119.1613 62.7945 37.3997 174.7278 154 M 4.5608 7.9000 117.5487 53.8007 35.2419 177.6681 155 K 3.5086 8.6776 117.9483 57.6552 31.2189 178.3484 156 A 4.3589 8.3402 130.1922 50.8940 19.2944 174.5946 *165 F 4.3045 8.2253 121.9312 58.7341 40.7946 173.7690 166 Y 5.1362 7.7968 124.0711 55.7873 41.6294 172.9906 167 N 5.4605 9.2885 115.1048 51.8790 42.0685 173.6594 168 D 4.9838 8.7402 122.6012 52.0758 43.4680 174.2001 169 P 5.0779 0.0000 0.0000 62.2972 29.3400 176.4798 170 V 3.8175 8.1074 115.8896 63.3040 31.1684 176.3231 171 S 4.7953 8.3385 113.0570 56.1684 65.4787 174.6609 172 S 4.2541 8.6969 119.0415 60.2759 62.8286 175.2042 173 L 4.6964 7.8571 118.5386 54.6049 43.8668 176.5635 174 S 4.9432 7.6586 113.6974 56.6832 66.5494 172.5966 175 F 5.3017 8.3775 115.9256 55.7667 41.1249 173.4447 176 E 4.0962 9.1614 121.4791 53.9740 32.6559 172.4095 177 P 4.8912 0.0000 0.0000 63.7451 31.9135 175.9196 178 S 4.6567 8.6866 121.5813 57.2103 67.2292 174.7060 179 E 2.7193 8.1897 120.9861 54.8797 30.9391 176.9206 *209 L 3.9152 7.9940 115.5763 55.1112 42.1173 174.3784 210 F 4.5584 7.6789 116.9733 56.6775 37.5022 174.0595 211 E 4.4955 8.7287 123.3536 58.2893 31.1492 176.9429 212 Y 4.4630 8.1044 113.2911 58.7265 40.1100 175.6138 213 T 4.3187 8.1054 119.2360 63.9696 66.6746 176.3830 214 L 3.8114 9.4161 133.3657 59.1002 41.8409 176.6117 215 A 3.8961 8.0340 120.0844 54.9446 18.4885 178.7296 216 N 4.5624 8.0754 114.7644 56.2241 39.2780 176.8567 217 Q 3.9503 8.7613 121.5271 59.3554 29.1501 177.8680 218 M 3.9213 7.7182 118.6891 58.2794 32.0588 178.0147 219 L 4.0917 7.4378 119.0693 57.9149 42.3979 179.1831 220 T 3.8180 7.7687 109.0191 64.6566 68.5519 176.3838 221 A 3.3029 8.1523 124.0486 54.7564 18.3220 179.2799 222 M 3.9744 8.1511 116.6635 58.5860 32.3015 178.3667 223 A 4.0542 8.2969 121.3313 54.9068 18.3196 179.1712 224 Q 4.2393 8.0430 117.3113 58.5323 29.4972 177.8511 225 G 3.8540 7.8041 107.1173 47.4504 0.0000 175.2387 226 Y 4.0821 8.2787 121.6235 60.4721 38.2686 177.7921 227 A 3.9844 7.9035 119.5157 53.9504 18.4231 179.5697 228 A 3.7724 7.6750 119.8436 55.2158 18.4587 179.5065 229 E 3.6546 7.8173 116.4651 59.6947 29.1279 179.2816 230 I 3.4606 7.0621 119.6716 64.6486 36.6117 178.6519 231 S 4.1290 7.6968 113.5501 61.0513 62.9215 176.2266 232 A 4.2865 7.5585 124.1446 54.4176 18.3497 179.4681 233 R 3.8315 8.6207 118.2233 59.4760 30.0925 178.9544 234 R 3.9859 7.6905 115.1395 59.1350 29.5355 178.6348 235 N 4.3716 7.7599 117.5304 55.7717 38.5795 177.3096 236 A 3.9763 8.0802 122.1888 55.6420 18.5099 179.7524 237 M 4.0776 7.8703 116.7156 58.1422 31.9329 178.6749 238 D 4.2532 7.9122 118.1447 57.4667 41.4237 177.8801 239 N 4.3539 8.2794 117.2124 56.3358 38.8128 176.7628 240 A 3.9762 7.9107 122.5471 55.2527 18.5061 179.7444 241 S 4.0496 8.2962 113.9079 61.4585 62.7662 176.9237 242 K 4.0374 8.1182 122.3079 59.6122 31.9165 178.7243 243 N 4.3231 8.5015 116.8475 56.1777 38.4404 177.1974 244 A 4.0874 8.7338 122.6945 55.1371 18.4629 179.9264 245 G 3.5365 8.3508 104.3528 48.2022 0.0000 175.5622 246 D 4.4299 8.4302 122.2026 57.3101 40.7871 178.7591 247 M 4.1619 8.4958 119.0026 58.4928 32.1581 178.2789 248 I 3.7467 7.9262 120.2383 64.5409 37.3023 178.0604 249 N 4.3612 8.2446 117.2359 56.2493 38.3233 177.4803 250 R 3.8981 7.7718 119.0653 59.8330 30.2984 178.8179 251 Y 4.0339 8.2132 116.0794 60.9528 37.7777 179.0198 252 S 4.2303 8.3846 116.5646 61.7812 62.7502 176.7719 253 I 3.8254 8.3665 122.7771 64.0164 36.6230 178.2473 254 L 4.0017 7.9360 121.6124 57.9188 41.9200 178.2859 255 Y 4.0500 8.5365 119.9981 60.8523 38.9195 177.7195 256 N 4.5525 8.5352 117.2200 56.1399 38.7098 177.5954 257 R 3.9990 7.6892 119.5235 59.0681 30.1280 178.8453 258 T 4.0438 7.4997 115.4397 65.8256 68.4862 176.9536 259 R 3.6278 8.1093 121.0994 59.6321 30.0593 178.7008 260 Q 3.9971 7.9209 116.8881 58.5207 28.6231 178.6387 261 A 3.9248 7.4118 121.1809 55.0886 18.5888 179.7501 262 V 3.5169 8.1321 117.1982 66.1293 31.5445 178.3351 263 I 3.6731 7.5006 119.1464 64.7100 37.0566 178.4468 264 T 3.7926 7.8271 116.3254 66.7310 68.3636 176.2353 265 N 4.2489 8.1543 118.1445 56.6695 38.3589 177.2093 266 E 4.2795 7.9853 121.1317 58.5513 29.3772 178.4940 267 L 3.9186 7.8760 120.5017 57.5076 42.1019 179.1664 268 V 3.6103 7.6148 118.8022 65.9482 31.1762 177.6320 269 D 4.5014 7.7368 116.6527 55.7302 39.1447 178.3696 270 I 3.6060 7.3010 121.9260 64.2566 37.1172 178.0729 271 I 3.8023 7.4673 120.4292 64.2902 36.8268 178.4147 272 T 4.0202 7.9284 116.1172 66.4802 68.2482 176.5082 273 G 3.7020 7.5314 106.6531 47.5556 0.0000 175.5352 274 A 4.1762 7.4609 121.6379 53.6256 19.7261 178.9600 275 S 4.6477 7.5429 115.3234 57.2587 59.9612 174.5102 276 S 4.2284 7.5338 120.4680 58.6746 63.7577 174.4725 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 A 8.26 4.27 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 2 T 7.93 4.40 4.25 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 1.26 0.00 0.00 3 L 9.15 3.98 0.00 1.67 1.65 0.66 0.75 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 4 K 8.08 4.08 0.00 1.86 1.87 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.55 7.81 5 E 8.10 3.98 0.00 2.17 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 0.00 2.43 2.33 0.00 6 V 7.80 3.74 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 1.21 0.00 0.00 1.10 0.00 0.00 7 E 8.77 3.93 0.00 2.29 2.24 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 2.36 2.40 0.00 8 M 7.73 4.11 0.00 2.23 2.04 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 2.71 0.00 9 R 7.80 3.84 0.00 2.12 1.73 0.00 3.53 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 10 L 8.27 3.79 0.00 1.71 1.62 0.72 0.99 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 11 K 7.64 4.19 0.00 1.89 1.82 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.39 7.81 12 S 7.63 4.00 0.00 3.93 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 13 I 7.70 3.72 1.66 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 1.23 0.36 0.83 0.00 0.00 14 K 8.43 3.88 0.00 1.87 1.88 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 15 N 8.43 4.32 0.00 2.94 2.82 0.00 0.00 7.01 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 16 I 7.54 3.76 1.95 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 1.63 1.20 0.89 0.00 0.00 17 E 8.38 3.98 0.00 2.10 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 0.00 2.29 2.48 0.00 18 K 8.02 4.03 0.00 2.02 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.76 7.81 19 I 7.58 3.87 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 1.80 1.03 0.90 0.00 0.00 20 T 7.66 3.92 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 21 K 7.74 4.05 0.00 2.00 1.83 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.34 7.81 22 T 7.64 4.02 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 1.26 0.00 0.00 23 M 8.14 4.06 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 24 K 7.91 4.09 0.00 1.94 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.56 1.71 7.81 25 I 7.31 4.41 1.87 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 1.55 1.82 0.96 0.00 0.00 26 V 7.35 3.61 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 0.83 0.00 0.00 1.03 0.00 0.00 27 A 7.73 4.14 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 28 S 7.71 4.10 0.00 4.11 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 0.00 29 T 7.64 4.12 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 1.22 0.00 0.00 30 R 7.67 4.26 0.00 2.02 1.98 0.00 3.07 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 31 L 7.50 4.10 0.00 1.93 1.81 0.91 0.84 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 32 S 7.96 4.16 0.00 4.09 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.10 3.76 0.00 1.94 1.93 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.63 7.81 34 A 7.69 4.53 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 35 E 8.21 3.99 0.00 2.04 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 2.58 2.50 0.00 36 K 7.75 4.04 0.00 1.62 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.61 7.81 37 A 7.60 4.09 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 38 K 7.97 3.99 0.00 2.04 1.97 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.63 7.81 39 I 7.70 3.84 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.96 0.00 0.00 40 S 8.10 4.22 0.00 4.04 3.84 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 0.00 0.00 0.00 0.00 41 A 7.72 4.14 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 42 K 7.85 4.07 0.00 2.02 1.95 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 43 K 7.89 3.87 0.00 1.79 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.65 1.63 7.81 44 M 7.61 4.83 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 45 D 7.17 4.67 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.20 4.01 0.00 1.85 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 2.37 2.30 0.00 47 A 7.23 4.30 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 I 7.50 4.30 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.98 0.00 0.00 78 T 7.32 4.08 4.32 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 1.26 0.00 0.00 *91 L 8.88 4.05 0.00 1.71 1.69 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.58 4.05 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 93 K 7.54 4.31 0.00 1.69 1.71 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 94 A 7.45 4.25 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.39 3.91 1.96 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 0.80 0.00 0.00 0.84 0.00 0.00 96 R 7.48 4.04 0.00 1.94 1.96 0.00 3.27 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 97 R 7.85 3.97 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 98 H 7.65 4.63 0.00 3.33 3.29 0.00 5.85 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.22 0.00 0.00 110 I 7.93 4.46 1.87 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 1.30 0.79 0.91 0.00 0.00 *112 D 7.79 4.53 0.00 2.73 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 0.00 113 K 7.79 3.90 0.00 1.80 1.78 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.36 7.81 114 I 7.59 3.83 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.93 0.00 0.00 115 K 7.48 4.02 0.00 1.65 1.99 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 116 M 7.92 4.23 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 117 Q 7.45 4.22 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.41 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 118 L 7.53 5.15 0.00 1.78 1.64 0.91 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 E 9.16 4.10 0.00 1.93 1.72 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 2.14 2.23 0.00 177 P 0.00 4.89 0.00 2.02 2.23 0.00 3.44 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.20 0.00 178 S 8.69 4.66 0.00 3.09 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.19 2.72 0.00 1.98 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 0.00 2.21 1.87 0.00 *209 L 7.99 3.92 0.00 1.68 1.53 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 210 F 7.68 4.56 0.00 3.14 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 0.00 211 E 8.73 4.50 0.00 2.13 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 0.00 2.46 2.29 0.00 212 Y 8.10 4.46 0.00 2.96 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 0.00 213 T 8.11 4.32 4.41 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 1.24 0.00 0.00 214 L 9.42 3.81 0.00 1.39 1.35 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 215 A 8.03 3.90 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 0.00 216 N 8.08 4.56 0.00 2.87 3.04 0.00 0.00 6.83 6.68 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 0.00 217 Q 8.76 3.95 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 218 M 7.72 3.92 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 219 L 7.44 4.09 0.00 1.74 1.98 0.98 0.72 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 0.00 220 T 7.77 3.82 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 221 A 8.15 3.30 1.04 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 0.00 222 M 8.15 3.97 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 223 A 8.30 4.05 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 0.00 224 Q 8.04 4.24 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 225 G 7.80 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 0.00 226 Y 8.28 4.08 0.00 3.16 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 0.00 227 A 7.90 3.98 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 0.00 228 A 7.67 3.77 1.20 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 0.00 0.00 229 E 7.82 3.65 0.00 1.82 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 2.29 2.48 0.00 230 I 7.06 3.46 1.59 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.62 0.81 0.00 0.00 231 S 7.70 4.13 0.00 4.05 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 0.00 232 A 7.56 4.29 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 0.00 233 R 8.62 3.83 0.00 1.87 1.99 0.00 3.04 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 234 R 7.69 3.99 0.00 2.09 2.14 0.00 2.79 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 235 N 7.76 4.37 0.00 3.14 2.91 0.00 0.00 6.81 7.24 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 0.00 236 A 8.08 3.98 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 0.00 237 M 7.87 4.08 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.91 0.00 238 D 7.91 4.25 0.00 3.02 2.80 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 0.00 239 N 8.28 4.35 0.00 2.90 2.80 0.00 0.00 7.18 7.82 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 0.00 240 A 7.91 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 S 8.30 4.05 0.00 4.01 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 0.00 242 K 8.12 4.04 0.00 2.03 1.96 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 243 N 8.50 4.32 0.00 2.99 2.86 0.00 0.00 6.96 8.05 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 0.00 244 A 8.73 4.09 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 0.00 245 G 8.35 3.54 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 0.00 246 D 8.43 4.43 0.00 2.93 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 0.00 247 M 8.50 4.16 0.00 2.28 2.13 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 2.86 2.79 0.00 248 I 7.93 3.75 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.91 0.00 0.00 249 N 8.24 4.36 0.00 3.02 2.89 0.00 0.00 7.05 7.81 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 0.00 250 R 7.77 3.90 0.00 2.14 1.92 0.00 3.15 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 251 Y 8.21 4.03 0.00 3.22 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 0.00 252 S 8.38 4.23 0.00 4.04 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 0.00 253 I 8.37 3.83 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.03 0.92 0.00 0.00 254 L 7.94 4.00 0.00 1.83 1.79 0.70 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 255 Y 8.54 4.05 0.00 3.10 3.17 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 0.00 256 N 8.54 4.55 0.00 2.95 2.88 0.00 0.00 7.08 7.03 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 0.00 257 R 7.69 4.00 0.00 2.00 1.94 0.00 3.09 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 258 T 7.50 4.04 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 1.16 0.00 0.00 259 R 8.11 3.63 0.00 1.36 1.91 0.00 3.13 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 260 Q 7.92 4.00 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 261 A 7.41 3.92 1.40 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 0.00 0.00 262 V 8.13 3.52 2.02 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 1.00 0.00 0.00 0.95 0.00 0.00 263 I 7.50 3.67 1.84 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 1.65 0.78 0.90 0.00 0.00 264 T 7.83 3.79 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 0.00 265 N 8.15 4.25 0.00 2.94 2.87 0.00 0.00 6.77 7.10 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 0.00 266 E 7.99 4.28 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 267 L 7.88 3.92 0.00 1.89 1.90 0.92 0.86 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 0.00 268 V 7.61 3.61 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 0.99 0.00 0.00 0.96 0.00 0.00 269 D 7.74 4.50 0.00 2.96 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 0.00 270 I 7.30 3.61 2.04 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 1.79 1.09 0.91 0.00 0.00 271 I 7.47 3.80 1.98 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 1.79 0.85 0.91 0.00 0.00 272 T 7.93 4.02 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 1.21 0.00 0.00 273 G 7.53 3.70 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 0.00 0.00 0.00 274 A 7.46 4.18 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 S 7.54 4.65 0.00 3.86 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 0.00 276 S 7.53 4.23 0.00 3.79 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 * Residues marked with a * may have inaccurate shift predictions.