NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5886 8.3027 120.3936 56.1648 31.2152 172.3444 *3 N 4.8168 8.6550 113.7341 53.2990 41.0787 175.7591 4 S 5.4556 8.6230 112.1632 56.7262 66.8574 172.7232 5 I 5.0039 9.0361 121.4009 59.5402 42.0483 173.0551 6 L 5.3229 9.3445 130.8103 53.4439 44.6986 174.8981 7 I 5.1435 8.8228 127.2661 59.7119 40.2239 174.8708 8 T 4.8069 8.0970 117.2075 60.5600 70.8981 173.5955 9 G 3.9353 8.4760 111.8492 46.7123 0.0000 173.6046 10 C 4.6515 8.3138 115.3811 59.6842 29.5733 176.0590 11 N 4.5024 8.1007 117.6861 54.4756 37.6114 174.3134 12 R 4.5952 7.3874 116.9074 55.3003 34.9394 176.5667 13 G 4.0025 7.6227 103.0450 44.4323 0.0000 178.0801 14 L 4.0331 8.6510 125.9766 57.5681 41.2926 179.0599 15 G 4.0337 7.8884 106.3925 47.3196 0.0000 175.3797 16 L 4.2011 7.6167 125.1109 57.0024 42.0947 179.2190 17 G 3.5846 8.1171 105.8206 47.6962 0.0000 175.7468 18 L 3.9908 8.3359 121.7936 57.3552 41.6033 179.4586 19 V 3.5482 7.5992 118.0949 66.1718 31.4469 178.1604 20 K 3.8616 7.9480 117.5936 59.5487 31.7000 179.2727 21 A 4.0516 7.8786 119.7306 55.0201 18.3886 179.3893 22 L 4.1160 8.2031 118.0976 57.8245 41.4358 179.6993 23 L 3.9908 7.6604 118.0905 57.8190 41.7528 178.9454 24 N 4.4769 7.9268 113.7312 53.9167 38.8140 175.5555 25 L 4.2346 7.0739 121.5626 53.5930 42.4976 175.2107 26 P 4.4041 0.0000 0.0000 65.6305 31.1853 176.9691 27 Q 4.5543 7.5844 118.2140 52.4244 28.1924 173.2972 28 P 4.4896 0.0000 0.0000 61.4894 32.4365 175.6397 29 P 4.3805 0.0000 0.0000 62.8667 31.8549 176.6314 30 Q 4.1138 8.6325 122.6206 58.6955 30.0929 175.5447 31 H 4.8271 8.6736 116.3302 53.9855 32.4381 172.7353 32 L 5.0632 9.0177 127.5394 53.1893 43.2054 174.4220 33 F 5.0709 9.4440 125.7089 56.8932 40.7107 174.8092 34 T 5.1837 9.4477 113.8762 60.1747 71.9158 173.2519 35 T 5.5842 8.4674 115.1266 60.0211 71.9080 173.0779 36 C 4.8929 7.9696 113.9796 58.0260 31.7633 175.0606 37 R 3.9717 8.8675 119.7986 58.1526 30.2866 176.0646 38 N 4.7901 7.7727 115.1660 51.2045 39.9707 174.1857 39 R 3.9109 9.6931 129.7837 59.6539 30.5914 178.2842 40 E 4.1698 8.5248 115.5828 59.5934 30.5161 181.0027 41 Q 4.4646 7.5516 125.4592 53.2604 27.6654 178.9227 42 A 3.8302 8.8858 114.3839 54.9641 16.5899 179.1850 43 K 3.9397 7.9717 128.4517 60.4038 32.1554 179.9005 44 E 4.1550 8.1331 120.4142 59.0123 29.5496 178.5776 45 L 3.9350 7.7980 119.9147 58.0628 42.4263 178.3560 46 E 4.0573 9.0817 122.1480 59.6722 29.1426 179.2195 47 D 4.4061 8.5946 121.8491 58.2649 40.0138 182.0764 48 L 4.3170 8.1819 120.4944 57.4302 41.3001 179.6437 49 A 4.0955 7.7907 120.1411 55.1214 18.5357 179.5830 50 K 4.0992 7.8140 114.1628 58.3177 32.1406 177.4418 51 N 4.7495 7.6051 113.6217 53.1100 40.8140 174.2499 52 H 4.7122 8.1794 115.1969 53.6635 30.9083 174.3101 53 S 4.2353 8.6423 120.1797 60.2821 63.4688 175.1923 54 N 4.3918 8.0090 118.1615 54.4788 37.5657 174.3665 55 I 4.4369 7.1958 120.5073 61.0684 38.4131 175.0882 56 H 4.7572 9.1751 123.6467 54.0442 31.8577 172.5266 57 I 4.8560 8.3725 124.4547 59.2576 38.5223 175.1154 58 L 4.7940 9.2402 127.5131 52.8489 44.4963 174.9498 59 E 5.1578 8.5148 124.7420 54.2786 30.7859 174.7207 60 I 4.1252 7.9392 123.8334 60.6610 41.3386 172.8118 61 D 4.7619 8.2793 127.1163 52.3005 41.4396 176.8274 62 L 4.4186 8.6878 127.9002 57.6258 41.8073 179.0535 63 R 3.6312 8.1200 116.3263 57.8414 30.3593 177.1896 64 N 4.4806 8.1902 117.8846 51.0190 36.7380 175.3390 65 F 3.2653 7.3566 121.3763 60.0302 39.4624 177.3562 66 D 4.4299 7.9536 118.2690 56.1284 40.9944 176.9212 67 A 4.3582 8.2510 121.8847 53.5950 19.2835 179.0765 68 Y 4.2530 8.0709 114.1158 61.1464 37.9742 177.8010 69 D 4.4464 8.4132 119.3987 57.6995 40.8160 178.9649 70 K 4.0456 8.0545 119.2035 58.8451 32.3653 178.3914 71 L 3.8969 7.6200 121.0057 58.3575 41.9585 179.2977 72 V 3.5053 7.9829 117.7754 65.5947 31.3670 177.8483 73 A 3.9420 7.7472 120.2061 55.3520 18.0146 179.2435 74 D 4.3489 8.3430 117.6841 57.5355 40.7593 179.2963 75 I 3.3117 7.5086 119.9892 64.3012 37.1215 177.9229 76 E 3.9481 8.3830 120.5302 59.4387 29.1259 179.1138 77 G 3.7423 7.9975 104.7735 47.4828 0.0000 175.5359 78 V 3.8543 7.1483 118.4135 65.8594 31.9626 177.9393 79 T 4.0379 8.2720 109.7859 62.7362 69.3586 175.5180 80 K 3.7533 9.0246 121.5376 57.0897 30.8972 177.7619 81 D 4.5587 8.8806 126.8341 56.0886 38.9303 176.8071 82 Q 4.2005 8.1142 119.1892 55.4275 29.7065 177.1120 83 G 4.0828 7.7656 106.8053 44.9837 0.0000 171.6684 84 L 4.6793 7.9049 120.9337 53.2060 43.9413 178.0062 85 N 4.6460 8.8808 124.2649 55.8333 39.9539 175.6069 86 V 4.8907 7.9613 117.9173 61.0055 35.5487 173.8833 87 L 4.9823 8.9051 129.8615 53.5076 44.3970 174.7150 88 F 5.1043 9.6044 130.4124 56.3918 40.3862 173.5236 89 N 4.5538 9.2194 123.5642 53.4972 37.9984 174.5909 90 N 4.8638 9.1713 123.2920 53.9421 41.4722 175.0656 91 A 4.0866 7.3950 120.8478 52.5034 18.7047 177.3979 92 G 4.2395 8.4624 109.9799 44.8205 0.0000 171.9732 93 I 4.6638 8.9451 112.2958 58.9768 40.5871 175.1756 94 A 4.5421 8.3240 124.0564 49.7800 20.6155 174.4198 95 P 4.5595 0.0000 0.0000 62.4537 32.3110 176.4331 96 K 4.0733 8.2716 118.0898 56.0439 32.4757 177.3017 97 S 4.1623 8.4249 116.3576 59.1002 62.7975 173.5122 98 A 4.6067 7.9979 126.4824 51.1418 22.0016 176.6118 99 R 4.3035 8.3932 120.8241 55.5740 31.1512 177.5020 100 I 3.4969 8.6407 120.5479 64.5180 37.8438 177.5936 101 T 4.0857 7.8914 107.1706 62.8707 68.7152 174.2204 102 A 4.6270 8.2215 123.5557 51.4249 20.1952 176.3720 103 V 3.7129 7.4943 117.5330 63.0238 32.2995 176.0161 104 R 4.6656 7.8391 123.2648 54.3069 33.1271 177.7411 105 S 4.1553 8.6099 117.9971 61.8134 62.8004 176.7356 106 Q 3.9848 8.0067 122.5854 58.8435 29.0231 177.4864 107 E 3.9818 8.1511 120.0466 59.0120 29.6369 178.7382 108 L 4.0181 7.8209 118.6138 57.8335 41.7192 179.3439 109 L 4.0033 7.9616 118.8093 58.0361 41.6172 179.4155 110 D 4.3831 8.4986 119.1210 57.7063 40.6554 179.0851 111 T 3.9712 7.9162 115.8665 66.6400 68.4746 176.9012 112 L 3.9966 8.2406 121.1552 57.6672 41.5929 179.4392 113 Q 4.0310 8.4202 119.8479 59.5798 28.8447 178.4037 114 T 4.0417 7.7297 115.4376 66.4754 68.7249 176.3036 115 N 4.6652 8.4051 116.7482 54.7425 38.8163 175.8516 116 T 4.4389 7.6237 114.1016 64.9739 70.5662 176.2520 117 V 3.6069 7.6968 118.7071 65.9165 31.6862 177.8595 118 V 4.1565 7.8385 116.7532 65.9689 31.7637 175.8146 119 P 4.7977 0.0000 0.0000 64.9123 31.1025 178.5768 120 I 3.7567 7.4127 115.2171 62.0843 36.6063 177.3958 *122 L 4.2049 8.0024 124.8631 55.1015 43.6706 178.6731 123 A 3.9680 8.1781 120.5824 55.1560 18.6587 178.3833 124 K 3.9799 8.4485 116.8546 59.6563 32.3771 178.7768 125 A 4.0670 8.1232 119.6222 55.4207 18.5173 178.1279 126 C 4.3014 8.3810 112.1936 60.8639 28.9088 175.3426 127 L 3.9104 7.7251 122.4906 57.9601 41.4895 177.0237 128 P 4.2244 0.0000 0.0000 65.6961 31.2654 178.5915 129 L 3.9828 7.8076 117.1658 57.8000 41.5673 179.4422 130 L 4.4176 8.1614 120.6263 57.2193 41.4392 179.7354 131 K 4.0126 8.3886 118.8170 59.1544 31.9449 179.6287 132 K 3.9451 8.0898 118.7443 59.3648 31.8915 179.2838 133 A 4.2391 8.1990 121.7234 54.5613 18.1626 179.3678 134 A 3.9438 7.9661 118.5381 55.0581 18.7198 179.5591 135 K 4.0020 8.3608 118.1740 59.5998 32.1518 179.0154 136 A 4.1684 8.3316 120.0816 54.0686 18.4074 177.5432 137 N 5.0283 7.8304 114.9414 52.8244 39.4716 176.4302 138 E 3.9981 8.0617 118.7923 58.7346 29.5932 177.7466 139 S 4.3682 7.9747 112.4377 59.0405 63.7412 173.7596 140 Q 4.7327 7.7854 120.6006 53.4409 32.1872 174.8227 141 P 4.0338 0.0000 0.0000 64.2893 29.9122 178.4067 *143 G 3.7804 8.9630 108.7999 44.7379 0.0000 174.0891 144 V 3.6778 8.2945 111.4467 63.7371 31.5471 178.3628 145 G 3.8970 8.0829 107.7999 47.4212 0.0000 173.0576 146 R 4.2074 7.1561 118.6975 56.0559 31.6677 175.0958 147 A 4.9731 7.4577 118.5433 51.1232 22.7496 175.1904 148 A 4.5005 8.9078 121.4879 51.1372 23.6714 175.2731 149 I 4.7830 8.2239 120.4481 59.6082 40.5020 174.5891 150 I 4.4461 8.6715 128.9788 59.3285 38.7725 173.6971 151 N 4.9296 8.9648 130.1627 53.2422 40.6049 172.9679 *153 S 4.6051 8.3763 118.8365 59.5861 63.1964 172.4803 154 S 4.9440 8.1779 110.0629 57.1716 65.1863 176.0342 155 I 3.8757 8.1982 125.6243 63.7249 37.9282 177.7268 156 L 4.1458 7.9992 119.2949 56.6914 41.4635 177.8995 157 G 3.6736 8.2105 106.9504 45.9438 0.0000 173.9421 158 S 4.8813 8.1189 115.2959 56.8457 62.0060 173.7505 159 I 3.8863 8.4682 129.9733 64.4747 37.2174 178.5561 160 Q 3.9693 8.3661 119.8338 58.8660 28.8375 177.0679 161 G 3.7593 7.7102 103.9880 45.4590 0.0000 173.2330 162 N 4.4981 7.9244 119.6424 53.4353 37.8348 174.3544 163 T 4.5494 8.3439 114.1093 61.3337 69.7839 174.2752 164 D 4.6457 8.1699 120.7338 53.3391 42.8872 177.8312 165 G 3.6013 8.6406 107.9528 45.7999 0.0000 169.7024 166 G 3.6110 8.4043 113.3169 45.7315 0.0000 172.6106 *168 Y 4.5177 8.3996 121.0690 58.1049 40.2745 177.3028 169 A 4.0733 8.2589 120.7141 55.3960 18.4933 178.8409 170 Y 3.9842 8.0385 117.3107 60.9561 38.9573 178.1196 171 R 3.8448 8.0722 118.6568 59.5355 30.2743 178.9815 172 T 3.8482 8.0120 109.7291 64.8988 68.6438 176.5847 173 S 4.1980 7.9002 118.2384 60.4888 63.0488 176.5815 174 K 3.9027 7.8640 121.9939 58.9907 31.9121 179.5390 175 S 4.0695 8.3155 115.6313 61.2727 62.6690 176.5604 176 A 3.9214 8.0767 123.7549 54.8918 18.0205 179.3668 177 L 3.8539 7.8734 118.8983 58.3116 42.1463 178.9366 178 N 4.3090 8.4358 117.5185 55.7567 38.4995 177.2243 179 A 3.6423 7.7550 121.6608 54.9019 18.3427 179.5953 180 A 3.8911 7.8125 119.4132 55.4530 18.4512 179.8924 181 T 3.8061 8.0347 114.6502 66.6173 68.4735 176.7167 182 K 3.8965 7.9089 121.3139 59.6778 32.1562 179.0552 183 S 4.0900 7.9262 115.3987 61.5720 62.6325 176.6748 184 L 3.9906 8.3793 122.3788 57.7410 41.2644 179.6434 185 S 4.1489 8.1616 114.2661 61.4414 62.5755 176.9413 186 V 3.6657 7.6506 121.3784 65.9833 31.1804 177.9114 187 D 4.4032 8.2250 117.3243 56.6092 40.9991 177.7528 188 L 4.4825 8.1251 117.6934 54.7985 42.0602 177.5538 189 Y 4.1694 7.7219 121.1453 60.2952 38.3924 176.1574 190 P 4.0679 0.0000 0.0000 65.6614 31.4611 176.9930 191 Q 4.1922 7.9429 112.9759 55.2027 29.0962 175.5028 192 R 3.6553 7.5928 116.4813 57.4044 28.0831 175.4856 193 I 4.4365 7.1415 119.0011 60.0967 40.4314 175.0935 *195 C 5.0681 8.2890 121.3695 60.4173 32.7299 174.0607 196 V 5.0292 8.1093 117.4671 60.0593 36.4249 173.9370 197 S 5.2622 9.0911 119.5895 57.2441 65.0039 173.1031 198 L 5.1077 8.8676 125.3823 53.7274 44.6266 174.8337 199 H 5.0948 9.2895 126.7995 54.2303 31.1181 173.4690 200 P 4.5874 0.0000 0.0000 62.7982 31.4316 176.8622 201 G 3.8366 7.3474 106.7259 44.7449 0.0000 172.6825 202 W 4.8218 8.5624 128.4043 56.7853 31.3097 174.9853 203 V 4.5922 8.4562 127.3255 60.7198 33.9368 175.3974 204 K 5.1407 8.6784 127.1793 55.2616 29.6864 175.5299 205 T 4.6581 7.4058 113.6093 59.3892 72.0057 176.4230 206 D 4.4416 8.6624 117.5289 55.8319 40.2458 177.7388 *208 G 4.5912 7.5584 109.7874 43.9701 0.0000 175.0437 209 G 4.1105 8.6949 104.6825 45.0019 0.0000 174.2998 210 S 4.1976 8.2714 112.4376 60.0816 63.1881 175.3441 211 S 4.1030 7.7192 115.6931 59.2184 63.1519 174.3275 212 A 2.0000 6.7217 123.7803 50.6707 18.4222 175.9255 213 P 4.2506 0.0000 0.0000 64.2226 32.2154 176.4533 214 L 4.5446 7.4172 118.8952 52.9364 43.9130 175.5916 215 D 5.0216 7.9413 121.5916 51.6558 42.7891 177.8949 216 V 3.4896 7.9580 117.8572 65.8373 31.4510 175.9119 217 P 4.2124 0.0000 0.0000 65.7899 31.1308 178.7744 218 T 3.8079 9.3493 115.7229 66.7002 68.3680 176.5539 219 S 3.7881 7.8002 114.7947 61.5378 62.4206 176.1566 220 T 4.1017 8.3280 112.9240 64.6881 68.3888 176.4885 221 G 3.5893 8.3473 108.6827 47.9623 0.0000 175.8290 222 Q 4.1476 7.9785 120.7122 58.2962 28.7011 178.7952 223 I 3.9655 8.2481 121.4437 64.6032 37.1357 178.4287 224 V 3.7654 8.1522 119.2129 66.1936 31.0156 177.9286 225 Q 3.9874 7.7412 117.8341 59.4049 29.2083 177.9065 226 T 4.0509 8.6738 118.0196 66.7162 68.0834 176.7902 227 I 3.7103 8.3635 115.1715 63.8601 37.2778 177.8716 228 S 4.3155 7.8849 116.2999 60.4271 62.3397 175.5339 229 K 4.4948 7.7421 123.9546 55.5923 33.0507 181.6585 230 L 4.4670 7.1416 118.6787 55.7019 42.4014 176.6905 231 G 4.2236 9.8910 112.0405 43.8582 0.0000 172.1764 232 E 4.0290 8.9129 118.2572 59.2503 29.6511 179.8771 233 K 4.0387 8.0962 117.0326 58.9848 32.5660 177.4639 234 Q 4.4049 8.1220 116.0917 55.3292 29.0020 174.8726 235 N 4.5042 7.7250 118.2340 55.0261 39.2151 174.9864 236 G 3.9898 8.7254 113.1732 46.4687 0.0000 173.1578 237 G 4.1367 7.8755 107.4303 44.6425 0.0000 172.7047 238 F 5.5429 8.0913 121.3376 56.5312 41.4159 174.3107 239 V 4.7547 8.7515 119.2724 59.2549 35.6999 175.2164 240 N 5.0187 8.8271 122.8315 52.9149 39.9892 175.5237 241 Y 4.2304 8.1824 118.6104 59.0709 38.0048 176.7060 242 D 4.6374 7.4624 118.3416 52.8231 39.6604 177.1967 243 G 3.9073 8.0404 108.8975 45.4744 0.0000 174.3533 244 T 3.9426 7.5917 117.3230 62.7127 69.4427 172.2963 245 P 4.5750 0.0000 0.0000 62.8117 31.8539 175.6854 246 L 4.5803 8.4552 123.5068 52.4832 44.6672 176.0768 247 A 4.1704 8.0844 123.6552 51.0622 19.7222 177.8837 248 W 4.7319 8.5557 120.3414 57.2378 29.1713 176.3122 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 H 8.30 4.59 0.00 3.18 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 N 8.65 4.82 0.00 2.97 3.11 0.00 0.00 6.43 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 4 S 8.62 5.46 0.00 4.19 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.04 5.00 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.91 1.00 0.00 0.00 6 L 9.34 5.32 0.00 1.70 1.50 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.82 5.14 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 1.39 1.01 0.67 0.00 0.00 8 T 8.10 4.81 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 1.20 0.00 0.00 9 G 8.48 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 10 C 8.31 4.65 0.00 3.00 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 11 N 8.10 4.50 0.00 2.82 2.94 0.00 0.00 5.91 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 12 R 7.39 4.60 0.00 1.84 1.86 0.00 3.12 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 13 G 7.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.65 4.03 0.00 1.65 1.70 0.96 0.79 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 15 G 7.89 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 16 L 7.62 4.20 0.00 1.97 1.90 0.95 1.14 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 17 G 8.12 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.34 3.99 0.00 1.69 1.65 0.19 0.82 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 19 V 7.60 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 20 K 7.95 3.86 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.61 7.81 21 A 7.88 4.05 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 22 L 8.20 4.12 0.00 1.89 1.74 0.96 0.68 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 23 L 7.66 3.99 0.00 1.75 1.67 0.63 1.01 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 24 N 7.93 4.48 0.00 2.71 2.88 0.00 0.00 7.13 7.69 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 25 L 7.07 4.23 0.00 1.70 1.63 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.40 0.00 2.18 2.21 0.00 3.73 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 2.02 0.00 27 Q 7.58 4.55 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.06 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 28 P 0.00 4.49 0.00 2.18 2.24 0.00 3.84 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 29 P 0.00 4.38 0.00 2.07 2.04 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 30 Q 8.63 4.11 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 1.84 2.26 0.00 31 H 8.67 4.83 0.00 3.22 2.90 0.00 5.62 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.02 5.06 0.00 1.60 1.47 0.90 0.87 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 33 F 9.44 5.07 0.00 3.09 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 34 T 9.45 5.18 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 1.27 0.00 0.00 35 T 8.47 5.58 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 36 C 7.97 4.89 0.00 2.96 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.87 3.97 0.00 1.83 2.03 0.00 3.24 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 38 N 7.77 4.79 0.00 2.73 2.65 0.00 0.00 6.87 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 39 R 9.69 3.91 0.00 1.83 1.99 0.00 3.35 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 40 E 8.52 4.17 0.00 2.02 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 2.24 1.90 0.00 41 Q 7.55 4.46 0.00 2.05 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 42 A 8.89 3.83 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 43 K 7.97 3.94 0.00 1.77 1.84 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.07 7.81 44 E 8.13 4.15 0.00 2.01 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 0.00 2.36 2.36 0.00 45 L 7.80 3.94 0.00 1.78 1.78 0.90 0.86 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 46 E 9.08 4.06 0.00 2.16 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 0.00 2.30 2.36 0.00 47 D 8.59 4.41 0.00 2.67 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 48 L 8.18 4.32 0.00 1.83 1.71 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.79 4.10 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 50 K 7.81 4.10 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.73 7.81 51 N 7.61 4.75 0.00 2.72 2.69 0.00 0.00 6.72 8.04 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 52 H 8.18 4.71 0.00 3.25 3.42 0.00 5.81 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 53 S 8.64 4.24 0.00 3.93 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 54 N 8.01 4.39 0.00 3.07 3.06 0.00 0.00 6.28 8.14 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 55 I 7.20 4.44 1.98 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 1.17 0.50 0.86 0.00 0.00 56 H 9.18 4.76 0.00 2.49 3.03 0.00 5.60 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.37 4.86 1.88 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 1.36 0.92 0.93 0.00 0.00 58 L 9.24 4.79 0.00 1.56 1.59 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.51 5.16 0.00 1.99 1.86 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 2.23 2.31 0.00 60 I 7.94 4.13 1.89 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 1.28 0.74 0.91 0.00 0.00 61 D 8.28 4.76 0.00 2.72 2.51 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 62 L 8.69 4.42 0.00 1.72 1.87 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.12 3.63 0.00 1.79 1.78 0.00 3.11 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 64 N 8.19 4.48 0.00 2.73 2.71 0.00 0.00 6.82 8.08 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 65 F 7.36 3.27 0.00 2.95 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 66 D 7.95 4.43 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 67 A 8.25 4.36 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 68 Y 8.07 4.25 0.00 3.09 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 69 D 8.41 4.45 0.00 2.76 2.78 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 70 K 8.05 4.05 0.00 1.85 1.83 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.51 7.81 71 L 7.62 3.90 0.00 1.72 1.77 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.98 3.51 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 1.01 0.00 0.00 0.94 0.00 0.00 73 A 7.75 3.94 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 74 D 8.34 4.35 0.00 2.82 2.78 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 75 I 7.51 3.31 1.73 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.54 0.33 0.00 0.00 76 E 8.38 3.95 0.00 2.06 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 0.00 2.29 2.32 0.00 77 G 8.00 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 78 V 7.15 3.85 2.38 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 0.68 0.00 0.00 1.05 0.00 0.00 79 T 8.27 4.04 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 1.38 0.00 0.00 80 K 9.02 3.75 0.00 1.97 1.37 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.37 7.81 81 D 8.88 4.56 0.00 2.79 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 82 Q 8.11 4.20 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 83 G 7.77 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 0.00 0.00 0.00 84 L 7.90 4.68 0.00 1.61 1.47 0.89 0.60 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 85 N 8.88 4.65 0.00 3.04 3.04 0.00 0.00 5.93 7.61 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 86 V 7.96 4.89 2.14 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 0.95 0.00 0.00 0.94 0.00 0.00 87 L 8.91 4.98 0.00 1.79 1.51 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 88 F 9.60 5.10 0.00 3.13 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 89 N 9.22 4.55 0.00 2.96 2.88 0.00 0.00 6.30 6.81 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 90 N 9.17 4.86 0.00 2.32 2.96 0.00 0.00 7.13 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.40 4.09 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 92 G 8.46 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 0.00 0.00 0.00 93 I 8.95 4.66 1.93 0.00 0.00 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 1.46 0.87 0.96 0.00 0.00 94 A 8.32 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.56 0.00 2.50 2.13 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 96 K 8.27 4.07 0.00 1.78 1.80 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 97 S 8.42 4.16 0.00 3.81 3.79 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 98 A 8.00 4.61 1.25 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 0.00 0.00 99 R 8.39 4.30 0.00 1.92 1.90 0.00 3.18 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 100 I 8.64 3.50 1.75 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.05 0.92 0.00 0.00 101 T 7.89 4.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 102 A 8.22 4.63 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 0.00 103 V 7.49 3.71 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 0.75 0.00 0.00 0.88 0.00 0.00 104 R 7.84 4.67 0.00 1.96 1.80 0.00 3.19 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 105 S 8.61 4.16 0.00 4.04 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 0.00 106 Q 8.01 3.98 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 107 E 8.15 3.98 0.00 2.10 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 2.42 2.43 0.00 108 L 7.82 4.02 0.00 1.93 1.73 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.96 4.00 0.00 1.69 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.50 4.38 0.00 2.75 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 0.00 111 T 7.92 3.97 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 1.36 0.00 0.00 112 L 8.24 4.00 0.00 1.91 1.74 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.42 4.03 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 114 T 7.73 4.04 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 1.27 0.00 0.00 115 N 8.41 4.67 0.00 2.81 2.84 0.00 0.00 6.87 8.36 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 0.00 116 T 7.62 4.44 4.43 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 1.19 0.00 0.00 117 V 7.70 3.61 2.43 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 0.73 0.00 0.00 0.99 0.00 0.00 118 V 7.84 4.16 2.44 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 1.06 0.00 0.00 1.22 0.00 0.00 119 P 0.00 4.80 0.00 2.24 2.15 0.00 4.11 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.11 0.00 120 I 7.41 3.76 2.01 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 1.17 0.93 0.89 0.00 0.00 *122 L 8.00 4.20 0.00 1.78 1.72 0.48 0.90 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 0.00 123 A 8.18 3.97 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 0.00 124 K 8.45 3.98 0.00 1.82 1.87 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.41 7.81 125 A 8.12 4.07 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 0.00 126 C 8.38 4.30 0.00 2.98 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 0.00 127 L 7.73 3.91 0.00 1.89 1.68 0.92 1.25 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 0.00 128 P 0.00 4.22 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 129 L 7.81 3.98 0.00 1.81 1.74 0.79 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.16 4.42 0.00 1.81 1.71 0.92 1.00 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 0.00 131 K 8.39 4.01 0.00 1.91 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.62 7.81 132 K 8.09 3.95 0.00 1.97 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.68 7.81 133 A 8.20 4.24 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 0.00 134 A 7.97 3.94 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 0.00 135 K 8.36 4.00 0.00 1.92 2.00 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.49 7.81 136 A 8.33 4.17 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 0.00 137 N 7.83 5.03 0.00 2.78 2.77 0.00 0.00 6.59 8.98 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 0.00 138 E 8.06 4.00 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 139 S 7.97 4.37 0.00 4.00 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 0.00 140 Q 7.79 4.73 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 141 P 0.00 4.03 0.00 2.19 1.81 0.00 3.80 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 1.99 1.97 0.00 *143 G 8.96 3.78 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 0.00 144 V 8.29 3.68 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 0.78 0.00 0.00 0.99 0.00 0.00 145 G 8.08 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 0.00 146 R 7.16 4.21 0.00 1.77 1.88 0.00 3.52 0.00 0.00 3.21 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 147 A 7.46 4.97 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 0.00 148 A 8.91 4.50 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.22 4.78 1.87 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 1.34 0.68 0.91 0.00 0.00 150 I 8.67 4.45 0.59 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.88 0.33 0.00 0.00 151 N 8.96 4.93 0.00 2.65 2.60 0.00 0.00 6.17 7.30 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 *153 S 8.38 4.61 0.00 3.85 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 0.00 154 S 8.18 4.94 0.00 4.12 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 0.00 155 I 8.20 3.88 1.41 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.81 0.00 0.00 156 L 8.00 4.15 0.00 1.88 1.81 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.21 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 0.00 0.00 0.00 158 S 8.12 4.88 0.00 4.06 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 0.00 159 I 8.47 3.89 1.93 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 0.54 0.93 0.00 0.00 160 Q 8.37 3.97 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 161 G 7.71 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 0.00 0.00 0.00 162 N 7.92 4.50 0.00 2.79 2.92 0.00 0.00 6.91 7.86 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 0.00 163 T 8.34 4.55 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 164 D 8.17 4.65 0.00 2.59 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 0.00 165 G 8.64 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.40 3.61 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 0.00 *168 Y 8.40 4.52 0.00 3.18 3.12 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 0.00 169 A 8.26 4.07 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 0.00 170 Y 8.04 3.98 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 R 8.07 3.84 0.00 1.83 1.91 0.00 3.08 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 172 T 8.01 3.85 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 173 S 7.90 4.20 0.00 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.86 3.90 0.00 1.55 1.71 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.78 0.91 7.81 175 S 8.32 4.07 0.00 3.81 3.87 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 0.00 176 A 8.08 3.92 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 0.00 177 L 7.87 3.85 0.00 1.85 1.79 0.93 0.51 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 0.00 178 N 8.44 4.31 0.00 2.84 2.80 0.00 0.00 6.49 6.76 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 0.00 179 A 7.76 3.64 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 0.00 180 A 7.81 3.89 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 0.00 181 T 8.03 3.81 4.47 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 1.32 0.00 0.00 182 K 7.91 3.90 0.00 1.39 1.64 0.00 1.54 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.15 1.39 7.81 183 S 7.93 4.09 0.00 3.86 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 0.00 184 L 8.38 3.99 0.00 1.85 1.72 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 185 S 8.16 4.15 0.00 4.24 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 0.00 186 V 7.65 3.67 2.19 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 1.01 0.00 0.00 0.96 0.00 0.00 187 D 8.22 4.40 0.00 2.68 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 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0.00 3.85 3.75 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 0.00 198 L 8.87 5.11 0.00 1.65 1.59 0.98 1.22 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 0.00 199 H 9.29 5.09 0.00 3.47 3.19 0.00 5.83 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 0.00 200 P 0.00 4.59 0.00 2.25 2.23 0.00 3.99 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 201 G 7.35 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 0.00 0.00 0.00 202 W 8.56 4.82 0.00 3.47 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 0.00 203 V 8.46 4.59 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 1.03 0.00 0.00 0.94 0.00 0.00 204 K 8.68 5.14 0.00 1.56 1.65 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.22 7.81 205 T 7.41 4.66 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 1.20 0.00 0.00 206 D 8.66 4.44 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 *208 G 7.56 4.59 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 0.00 0.00 0.00 209 G 8.69 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 S 8.27 4.20 0.00 3.92 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 0.00 211 S 7.72 4.10 0.00 3.91 3.89 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 0.00 212 A 6.72 2.00 0.46 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 0.00 213 P 0.00 4.25 0.00 2.17 2.16 0.00 3.57 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 214 L 7.42 4.54 0.00 1.70 1.40 0.32 0.79 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 0.00 215 D 7.94 5.02 0.00 2.87 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 0.00 216 V 7.96 3.49 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 1.11 0.00 0.00 0.89 0.00 0.00 217 P 0.00 4.21 0.00 2.16 2.06 0.00 3.87 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 2.08 2.15 0.00 218 T 9.35 3.81 4.16 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 1.15 0.00 0.00 219 S 7.80 3.79 0.00 3.70 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 T 8.33 4.10 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 221 G 8.35 3.59 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 0.00 0.00 0.00 222 Q 7.98 4.15 0.00 2.41 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.73 0.00 223 I 8.25 3.97 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.84 1.16 0.00 0.00 224 V 8.15 3.77 2.13 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 1.04 0.00 0.00 1.02 0.00 0.00 225 Q 7.74 3.99 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 226 T 8.67 4.05 4.47 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 1.25 0.00 0.00 227 I 8.36 3.71 1.83 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.86 0.93 0.00 0.00 228 S 7.88 4.32 0.00 3.96 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 0.00 229 K 7.74 4.49 0.00 1.87 1.66 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.29 1.31 7.81 230 L 7.14 4.47 0.00 1.65 1.63 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 231 G 9.89 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 0.00 232 E 8.91 4.03 0.00 2.07 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 2.48 2.52 0.00 233 K 8.10 4.04 0.00 1.79 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 234 Q 8.12 4.40 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 235 N 7.72 4.50 0.00 2.82 2.85 0.00 0.00 7.14 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 G 8.73 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 0.00 237 G 7.88 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 F 8.09 5.54 0.00 1.71 2.16 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 0.00 239 V 8.75 4.75 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 0.59 0.00 0.00 1.00 0.00 0.00 240 N 8.83 5.02 0.00 2.66 2.60 0.00 0.00 7.13 7.57 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 0.00 241 Y 8.18 4.23 0.00 3.15 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 0.00 242 D 7.46 4.64 0.00 2.66 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 0.00 0.00 0.00 0.00 243 G 8.04 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 0.00 244 T 7.59 3.94 4.05 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 1.08 0.00 0.00 245 P 0.00 4.58 0.00 1.81 1.86 0.00 3.52 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 1.95 2.03 0.00 246 L 8.46 4.58 0.00 0.27 0.71 0.17 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 247 A 8.08 4.17 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 0.00 248 W 8.56 4.73 0.00 3.42 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 * Residues marked with a * may have inaccurate shift predictions.