NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6932 8.2785 119.2159 53.3889 40.2140 175.0786 3 A 3.8989 8.5960 127.9199 54.6184 18.3918 177.8045 4 Q 3.7522 8.5680 118.1917 59.1202 29.2010 177.3586 5 A 3.9072 8.3115 121.5494 55.0365 18.6096 179.2393 6 E 4.0787 8.0618 117.9754 59.6038 29.8220 178.6606 7 E 3.9633 8.8355 119.8396 59.2087 29.5676 178.5523 8 F 4.0245 8.3616 121.1362 60.8333 39.2512 176.9622 9 K 3.2779 7.9549 119.2253 59.2721 31.9364 178.4871 10 K 3.7489 7.6751 118.4507 59.9003 31.9537 178.3876 11 Y 4.0778 7.6508 118.6830 60.6356 38.6114 178.0348 12 L 3.5276 7.6654 120.0819 57.7802 41.8068 179.4608 13 E 4.1552 7.9728 119.7403 59.3272 29.2153 179.5484 14 T 3.9098 7.9179 114.7206 66.0277 68.4032 175.2188 15 N 4.7432 7.2615 116.2470 52.3814 38.8961 175.2045 16 G 3.7824 7.6252 107.0145 46.5188 0.0000 173.9546 17 I 4.2507 7.8258 121.4937 59.5329 37.8987 175.2882 18 K 4.6412 8.3700 125.2609 53.8638 33.7999 174.6011 19 P 3.4594 0.0000 0.0000 62.4583 32.2813 175.5545 20 K 4.4882 8.5804 121.3429 54.7504 35.1316 175.2742 21 Q 5.0207 8.2591 122.5553 54.8883 30.6612 174.9581 22 F 4.8836 9.0362 119.5693 56.2465 44.0164 173.4299 23 H 5.4439 9.5185 117.8182 53.2530 32.4875 173.6353 24 K 4.0985 7.7951 119.2599 57.8325 32.2324 176.2207 25 K 4.3640 9.3998 125.5017 56.3894 31.7261 177.0486 26 E 4.2731 8.1323 117.5922 56.5607 30.7511 176.0172 27 L 4.8415 8.3459 122.1700 53.6366 42.5929 176.8536 28 I 3.6902 8.8226 126.2387 63.5228 37.8964 176.2315 29 F 5.1824 7.3952 114.9523 55.4010 40.9262 173.4850 30 N 5.5074 8.9939 116.9261 50.9720 39.8242 175.1800 31 Q 4.2654 8.5138 116.5373 57.1477 28.7902 176.6782 32 W 4.2477 8.0136 117.8962 56.6730 29.8852 175.6918 33 D 4.6038 7.8675 118.8321 53.2230 40.5402 174.2205 34 P 4.4934 0.0000 0.0000 65.3865 31.7690 177.0209 35 Q 3.8687 8.1475 120.4187 56.0143 29.7019 174.8341 36 E 4.4518 8.1272 123.8519 55.0994 32.0753 174.4667 37 Y 5.3370 8.6444 119.6280 56.5468 43.3481 173.5394 38 C 5.2298 9.0996 121.8768 57.9029 34.1596 172.4423 39 I 4.9322 9.3815 128.6955 59.8362 39.1592 174.7152 40 F 5.3891 9.4431 131.4305 56.8280 40.0986 173.9860 41 L 4.4671 8.7876 129.9132 54.8919 42.3290 176.0930 42 Y 4.1829 8.5883 128.3245 59.2262 40.1330 175.0428 43 D 4.4669 8.1481 116.0015 53.0858 43.1967 174.7550 44 G 4.0352 9.1398 104.8717 44.3732 0.0000 171.9638 45 I 5.2976 8.4416 118.2283 59.7864 40.9816 175.3735 46 T 5.3899 9.1914 115.6659 60.1842 73.0549 172.5308 47 K 4.9336 8.8732 120.1324 55.0894 36.4037 174.8283 48 L 5.0043 8.8565 126.0302 54.1521 43.6139 175.3344 49 T 5.2115 8.9772 115.9760 60.0369 73.0326 172.6487 50 S 4.8876 8.8100 116.1466 56.7054 66.1517 172.4559 51 I 5.0092 8.2180 127.3795 59.4374 39.0658 175.9444 52 S 4.4494 9.0328 122.7374 57.0925 64.2200 174.7210 53 E 3.9102 8.9187 121.5668 59.5453 29.0551 177.3683 54 N 4.5625 8.1192 112.0949 53.1450 37.5678 175.5378 55 G 3.9587 8.3499 107.4700 45.6837 0.0000 173.8784 56 T 4.0607 8.1404 117.5137 63.4857 69.5298 173.3545 57 I 4.5665 8.0646 126.6627 59.6917 39.1901 174.5181 58 M 4.6612 8.5939 126.7822 53.7910 34.9815 174.3165 59 N 4.5214 8.9763 124.9281 52.5299 38.7970 175.9382 60 L 3.9982 8.6626 125.5960 57.4458 42.4443 177.5922 61 Q 4.3567 7.4064 116.2035 55.3293 32.3190 172.2345 62 Y 4.9110 8.2961 121.9254 56.9333 39.7049 174.5914 63 Y 4.6889 9.1833 121.2701 56.0788 41.5705 174.6386 64 K 5.0583 8.5483 123.7825 55.4233 35.9254 176.9120 65 G 3.7396 8.4564 108.8277 45.4838 0.0000 172.6833 66 A 4.6325 8.4958 123.9477 51.4211 19.6877 177.0842 67 F 4.8325 9.1728 124.2213 57.4453 44.0547 172.6147 68 V 5.0442 7.5472 120.4156 61.0623 33.7066 174.4411 69 I 4.5485 9.0873 128.6431 59.8430 40.0696 174.8203 70 M 4.8811 8.7232 126.5099 53.9524 33.7798 175.9075 71 S 4.5021 8.8319 115.6072 57.3022 64.2422 173.5977 72 G 3.8226 7.3527 104.1707 45.7799 0.0000 173.5672 73 F 4.5248 8.4456 120.8866 56.9992 39.3957 177.1212 74 I 3.7558 8.6733 123.7240 63.8275 38.4068 176.8293 75 D 4.5387 8.3162 119.7095 56.9520 40.9410 177.3262 76 T 4.1793 7.9024 106.4998 61.1833 70.0291 173.9427 77 E 3.8979 8.2599 121.7222 56.4936 26.7876 173.0221 78 T 4.5467 7.1353 116.6805 62.1345 73.1040 173.2043 79 S 4.2087 8.4344 117.6960 58.4732 62.7373 174.1225 80 V 3.6064 7.8111 123.8685 60.4520 31.9358 174.7675 81 G 3.6169 7.6199 107.5240 44.0904 0.0000 173.1895 82 Y 4.5097 7.4288 117.2633 56.2729 38.8303 175.0108 83 Y 5.2188 8.2787 121.1486 56.4236 42.5552 174.4057 84 N 5.0328 9.3878 118.3861 51.4315 42.1285 173.9362 85 L 4.6158 7.6874 124.1666 53.3635 44.2443 174.3152 86 E 4.8720 8.7040 128.5090 54.2051 32.0394 174.9854 87 V 4.0524 8.7369 127.8777 63.1187 32.1987 176.0947 88 I 4.3727 8.5791 128.5369 62.6733 39.0178 176.2576 89 S 4.3457 7.9274 115.9370 57.9657 63.7042 175.1013 90 E 4.1265 8.8854 120.2604 58.8697 30.3044 176.2157 91 Q 4.9780 8.0103 115.0406 54.2415 33.2175 174.6023 92 A 4.9835 9.0242 121.3989 50.9433 23.4091 175.1504 93 T 5.1894 9.0976 117.1310 61.8433 71.4478 173.4533 94 A 5.2174 9.0879 126.6086 50.7632 23.4689 174.1652 95 Y 4.6756 9.5755 118.7484 56.4128 40.2220 175.0815 96 V 4.5404 8.6544 124.6929 61.4728 33.1695 174.3507 97 I 4.6387 8.5194 129.7106 59.0540 39.6782 175.9926 98 K 4.4333 9.2187 127.4125 56.1751 33.0364 177.6156 99 I 3.6308 8.3318 123.8228 64.3511 36.2596 177.6635 100 N 4.5906 8.0690 118.6299 56.0632 36.7438 176.7025 101 E 4.2399 8.2702 121.0612 58.4566 29.4477 179.1557 102 L 4.0167 7.8714 120.7224 57.7730 42.0705 179.0351 103 K 3.8358 7.5550 117.3565 59.5226 32.3353 178.8127 104 E 3.8671 8.0968 120.0836 59.2065 29.3850 178.5598 105 L 4.0805 7.3977 117.7015 57.9280 41.8922 179.1684 106 L 4.1745 7.9942 118.5848 57.3781 41.4181 179.3133 107 S 4.1678 7.9827 114.6912 61.1360 62.8493 175.9877 108 K 4.6821 7.5483 117.9503 55.7775 32.8828 176.7694 109 N 4.6343 7.7439 118.9397 51.4405 39.9204 174.5459 110 L 4.0961 8.3907 126.7305 57.4241 41.7061 179.2563 111 T 4.0187 7.9258 115.7808 67.0984 68.4644 176.1265 112 H 4.3171 7.9710 118.1869 58.3888 28.5861 177.4330 113 F 4.3204 8.1111 122.7177 61.7209 39.0542 177.2106 114 F 4.1972 8.1129 117.2354 60.6521 38.6379 177.1657 115 Y 4.0863 8.0213 118.7944 60.7129 38.5144 178.1722 116 V 3.1247 7.7389 119.1347 65.6668 31.6150 177.6145 117 F 4.0166 8.5182 120.5927 61.5313 39.2638 176.9046 118 Q 4.1038 8.5944 119.3697 59.5216 28.9382 178.2158 119 T 3.6173 7.6924 116.7929 66.4929 68.3556 176.4090 120 L 4.0591 7.4488 120.7571 57.4588 41.7034 179.3467 121 Q 4.0251 8.1087 118.1288 58.6838 28.5724 178.9887 122 K 4.2499 8.2012 119.8222 59.4624 32.1697 178.8725 123 Q 4.1339 8.2376 119.5303 59.3749 28.9373 178.8989 124 V 3.5877 7.9701 119.1285 66.1368 31.5397 178.1314 125 S 4.2377 8.3721 114.1313 61.6552 62.7251 175.8163 126 Y 2.9174 8.1900 123.0338 60.2173 38.3600 178.0836 127 S 3.9133 8.0933 116.0693 61.4788 62.9215 176.7020 128 L 3.9637 7.7536 121.0599 57.6265 41.3591 179.4858 129 A 3.9441 7.6384 120.7952 54.8631 18.3449 179.4342 130 K 3.5731 7.5920 118.1989 59.5190 31.9011 178.7049 131 F 3.8240 8.1950 120.7986 61.1503 39.1757 176.1623 132 N 4.3077 8.1236 116.6635 57.3268 38.4609 176.4888 133 D 4.4242 7.8822 118.2515 57.2462 41.0573 178.5245 134 F 4.0947 8.4511 117.5810 59.4879 38.9632 177.0510 135 S 4.3699 7.3359 112.6469 59.9084 63.6177 175.6993 136 I 3.9004 7.3541 122.7214 63.5786 37.2955 176.2331 137 N 5.0570 7.6612 117.2596 53.0822 40.0425 174.7359 138 G 3.9207 8.0559 108.4666 46.2850 0.0000 175.0772 139 K 3.8753 8.4073 116.3948 58.9796 32.0949 178.6921 140 L 3.8293 7.8569 120.5982 58.2544 41.9625 179.2131 141 G 3.5348 8.0414 105.5338 47.7380 0.0000 175.8617 142 S 2.8723 7.3630 117.4271 60.9507 62.7082 176.7637 143 I 3.5304 7.6006 122.5429 64.5523 36.8030 178.0384 144 C 3.9946 7.8174 117.4426 63.2691 27.9662 176.6605 145 S 4.2069 8.1008 116.5310 61.5431 62.3865 176.5460 146 Q 4.1606 8.1124 122.3689 59.0890 28.8011 178.1707 147 L 3.8962 8.2274 120.4679 57.6264 41.6901 179.0910 148 L 3.8585 8.2057 120.3559 58.3537 42.0731 178.7244 149 I 4.0101 8.0478 119.7116 65.0317 37.1361 178.3365 150 L 4.2754 7.9396 118.9997 57.6918 41.5020 179.7477 151 T 3.8033 7.8368 116.1732 66.7064 68.1264 176.4356 152 Y 3.9685 7.2643 117.5323 60.9348 37.8846 178.2983 153 V 3.6241 7.3743 117.5783 64.9194 31.9610 176.0097 154 Y 4.6884 7.8912 113.8131 57.4325 39.5406 176.1160 155 G 4.0969 7.8778 107.1156 45.8336 0.0000 173.9062 156 K 4.7573 8.5587 121.4843 54.1336 36.4336 175.7215 157 E 4.4709 8.9422 125.0302 56.6186 30.0929 176.3554 158 T 4.7940 8.7460 113.1665 58.8870 72.1945 173.1624 159 P 4.2254 0.0000 0.0000 65.4408 31.3641 177.2447 160 D 4.5823 7.8134 115.5037 53.6958 41.1390 175.1776 161 G 3.7250 7.1414 106.5842 44.0783 0.0000 172.6291 162 I 4.5938 8.6090 122.6008 60.0207 38.3320 175.4697 163 K 3.9833 8.7549 130.5689 55.6861 33.2281 175.8812 164 I 4.1411 8.3606 129.8828 60.6489 37.4694 175.7965 165 T 4.5267 8.1817 119.7755 61.5650 69.2245 175.4926 166 L 3.9448 7.8414 121.3832 55.4565 42.3819 176.8916 167 D 4.5191 8.5823 122.7168 57.2839 42.6545 177.0502 168 N 4.2909 8.3983 114.6737 53.1954 37.1043 175.1317 169 L 3.5438 6.6852 122.1299 55.2724 40.7524 172.4384 170 T 4.7631 7.6586 113.9995 59.1695 73.1943 174.6685 171 M 4.0677 8.3900 119.9555 58.5272 31.7481 178.7635 172 Q 3.7146 7.9031 119.2785 59.0139 28.9914 178.0866 173 E 3.7961 7.5576 118.5020 59.2047 29.5633 178.5929 174 L 4.2378 7.9889 119.2387 58.0999 41.7031 179.9733 175 G 3.6132 8.1042 105.2682 48.0296 0.0000 175.3514 176 Y 4.5196 7.6787 118.8061 61.1728 37.6217 178.8744 177 S 4.8336 7.8477 116.5046 60.4180 63.0586 175.7824 178 S 4.9168 8.0907 114.7276 57.4575 63.1228 174.5245 179 G 3.9015 7.9611 108.9868 46.2200 0.0000 173.6111 180 I 4.0922 7.6594 120.7768 59.7891 37.0579 176.1221 181 A 4.1371 8.6159 129.4473 54.3229 18.8382 176.5070 182 H 4.8690 7.9392 113.4554 54.4051 29.2847 175.4606 183 S 4.1231 8.8384 122.6756 61.7611 62.3073 176.8211 184 S 4.0908 8.1332 115.3567 61.6417 62.3863 176.0660 185 A 4.1655 8.1181 124.1050 54.4139 18.3934 179.5540 186 V 3.5792 7.8198 116.6863 66.3022 31.4561 178.2529 187 S 4.2137 8.0836 113.5217 61.1031 62.8749 176.7065 188 R 3.8941 7.6456 120.9927 59.0818 29.6835 178.9910 189 I 3.6593 7.5927 119.1355 64.4974 37.2692 178.3819 190 I 3.6889 7.6181 120.5047 64.2196 36.7857 178.2719 191 S 4.0702 8.3332 114.3764 61.3253 62.1781 176.1685 192 K 3.8642 7.7953 121.5898 59.7165 31.9209 178.8098 193 L 3.8855 7.7028 118.6942 57.3739 41.5289 179.7159 194 K 4.2733 8.0743 120.1303 58.8879 31.8237 179.1056 195 Q 4.0105 8.1371 119.0366 58.8129 28.9653 177.2540 196 E 4.3246 7.7814 116.9415 55.2732 29.6576 176.2811 197 K 3.8546 7.5160 116.9036 57.6067 30.3479 177.2059 198 V 3.9285 7.8669 121.4990 64.7189 32.4910 175.6507 199 I 5.2409 7.5883 111.8606 59.0232 41.3602 174.4936 200 V 4.5544 8.7303 121.8551 61.3014 35.5252 173.2851 201 Y 5.2643 8.2354 125.8397 55.7773 41.3606 174.6149 202 K 4.2649 8.8150 123.6075 56.5129 35.6574 174.3067 203 N 4.1748 9.2168 113.4366 54.7906 35.9865 174.5743 204 S 4.1559 7.8142 107.1753 58.5002 61.0206 172.2227 205 C 4.7450 7.0949 115.7847 57.7959 31.9772 173.4345 206 F 5.1716 8.5826 120.9986 57.4243 40.6161 174.2194 207 Y 5.0369 9.3292 120.1049 56.2738 41.5246 174.6530 208 V 4.5355 9.0853 125.7358 62.4865 32.4111 176.1024 209 Q 4.6288 9.0516 126.1634 56.0292 30.2170 176.1892 210 N 4.8837 7.8566 117.4012 50.3437 39.7444 173.6750 211 L 3.8044 8.3207 124.9449 57.9022 42.4407 177.7971 212 D 4.4412 8.1551 118.2508 57.2458 40.5102 177.9431 213 Y 3.9858 8.0421 119.3430 60.6645 39.1407 177.8364 214 L 4.3652 7.7365 119.5046 58.0461 41.3889 179.5979 215 K 4.0621 8.2848 118.2890 59.7009 31.7210 179.3062 216 R 3.8643 7.6839 117.6489 59.1448 30.0115 177.5418 217 Y 4.2368 7.8215 114.7440 58.6075 39.4171 175.1839 218 A 5.0548 7.6491 121.6144 49.9444 19.4596 175.4962 219 P 4.3816 0.0000 0.0000 65.8182 31.8694 178.4415 220 K 4.1536 8.3919 117.7005 58.8702 32.0331 179.3375 221 L 4.1580 8.7479 119.9419 57.6052 41.5896 178.9011 222 D 4.7105 8.4744 118.1377 57.6505 41.2903 177.7228 223 E 3.8640 8.2571 119.7256 59.2156 29.3912 178.7893 224 W 3.9655 8.3346 128.2398 60.4298 30.5876 177.9282 225 F 3.9728 8.4374 116.7303 60.6328 38.3424 176.7401 226 Y 3.4658 7.4510 117.9501 60.6112 38.6139 177.9298 227 L 4.0573 7.7472 117.8456 55.8689 42.1008 177.3815 228 A 4.2417 7.4688 121.8169 51.0640 19.7327 175.9139 *230 P 4.2303 0.0000 0.0000 63.9065 33.5141 179.4216 231 A 4.0044 8.0808 117.9301 55.3753 18.1242 178.9758 232 T 4.0612 8.0739 113.9474 67.0377 68.7289 176.2760 233 W 3.9670 8.2816 129.4251 60.0873 30.9121 177.8096 234 G 4.0320 8.5051 105.9980 48.1991 0.0000 175.7743 235 K 4.1461 7.5895 118.9268 57.8748 32.1005 178.3841 236 L 4.5532 7.2388 115.5028 54.2403 42.3245 176.1326 237 N 4.2719 7.4792 121.9393 53.1892 38.9850 174.1072 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 2 N 8.28 4.69 0.00 2.82 2.88 0.00 0.00 6.97 7.27 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 3 A 8.60 3.90 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 4 Q 8.57 3.75 0.00 2.30 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 5 A 8.31 3.91 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.06 4.08 0.00 2.20 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 0.00 2.39 2.43 0.00 7 E 8.84 3.96 0.00 2.30 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 2.32 2.40 0.00 8 F 8.36 4.02 0.00 2.63 2.67 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 9 K 7.95 3.28 0.00 2.04 1.82 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.07 0.96 7.81 10 K 7.68 3.75 0.00 2.08 1.87 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 11 Y 7.65 4.08 0.00 2.90 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.67 3.53 0.00 1.28 1.31 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.97 4.16 0.00 2.06 1.98 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 2.61 2.36 0.00 14 T 7.92 3.91 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 1.18 0.00 0.00 15 N 7.26 4.74 0.00 2.29 2.56 0.00 0.00 7.03 9.01 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 16 G 7.63 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 17 I 7.83 4.25 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 1.32 1.34 1.06 0.00 0.00 18 K 8.37 4.64 0.00 1.71 1.67 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.33 7.81 19 P 0.00 3.46 0.00 1.80 1.56 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.07 0.00 20 K 8.58 4.49 0.00 1.75 1.25 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.27 7.81 21 Q 8.26 5.02 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 22 F 9.04 4.88 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 9.52 5.44 0.00 3.07 3.21 0.00 5.65 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 24 K 7.80 4.10 0.00 1.94 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.45 7.81 25 K 9.40 4.36 0.00 1.92 2.18 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.56 7.81 26 E 8.13 4.27 0.00 2.26 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 2.43 2.50 0.00 27 L 8.35 4.84 0.00 1.56 1.57 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.82 3.69 1.43 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.31 0.66 0.00 0.00 29 F 7.40 5.18 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.99 5.51 0.00 3.18 3.12 0.00 0.00 5.78 7.29 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 31 Q 8.51 4.27 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 32 W 8.01 4.25 0.00 3.64 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 33 D 7.87 4.60 0.00 2.89 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 34 P 0.00 4.49 0.00 2.25 2.23 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 35 Q 8.15 3.87 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.10 1.42 0.00 36 E 8.13 4.45 0.00 1.80 1.63 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 2.34 2.38 0.00 37 Y 8.64 5.34 0.00 2.64 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 38 C 9.10 5.23 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 9.38 4.93 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 0.95 0.00 0.00 40 F 9.44 5.39 0.00 3.37 3.24 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 41 L 8.79 4.47 0.00 1.80 1.54 1.00 0.65 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 42 Y 8.59 4.18 0.00 3.03 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 43 D 8.15 4.47 0.00 2.63 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 44 G 9.14 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.44 5.30 1.89 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 1.47 0.84 0.96 0.00 0.00 46 T 9.19 5.39 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 47 K 8.87 4.93 0.00 1.46 1.58 0.00 1.23 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.29 1.29 7.81 48 L 8.86 5.00 0.00 1.85 1.56 0.46 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.98 5.21 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 1.13 0.00 0.00 50 S 8.81 4.89 0.00 4.13 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 51 I 8.22 5.01 1.87 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 1.36 0.71 0.97 0.00 0.00 52 S 9.03 4.45 0.00 3.98 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 53 E 8.92 3.91 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 54 N 8.12 4.56 0.00 2.89 2.92 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.35 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 0.00 0.00 0.00 56 T 8.14 4.06 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 1.21 0.00 0.00 57 I 8.06 4.57 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.22 0.30 0.00 0.00 58 M 8.59 4.66 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 59 N 8.98 4.52 0.00 2.86 2.62 0.00 0.00 6.59 7.37 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 60 L 8.66 4.00 0.00 1.48 1.55 1.09 0.73 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 61 Q 7.41 4.36 0.00 1.84 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.94 0.00 0.00 0.00 0.00 0.00 1.47 2.10 0.00 62 Y 8.30 4.91 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 9.18 4.69 0.00 2.76 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 64 K 8.55 5.06 0.00 1.90 1.71 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.55 7.81 65 G 8.46 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 66 A 8.50 4.63 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 67 F 9.17 4.83 0.00 3.17 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.55 5.04 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 0.88 0.00 0.00 1.05 0.00 0.00 69 I 9.09 4.55 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.29 0.90 0.00 0.00 70 M 8.72 4.88 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 71 S 8.83 4.50 0.00 3.30 2.84 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 72 G 7.35 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.45 4.52 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.67 3.76 1.89 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 0.63 0.98 0.00 0.00 75 D 8.32 4.54 0.00 2.71 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 76 T 7.90 4.18 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 1.12 0.00 0.00 77 E 8.26 3.90 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 78 T 7.14 4.55 4.37 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 1.24 0.00 0.00 79 S 8.43 4.21 0.00 3.45 3.46 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 80 V 7.81 3.61 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 0.57 0.00 0.00 -0.26 0.00 0.00 81 G 7.62 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.43 4.51 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.28 5.22 0.00 3.04 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 84 N 9.39 5.03 0.00 2.46 2.57 0.00 0.00 6.76 6.77 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 85 L 7.69 4.62 0.00 0.59 0.47 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.70 4.87 0.00 2.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 87 V 8.74 4.05 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 0.96 0.00 0.00 0.86 0.00 0.00 88 I 8.58 4.37 2.05 0.00 0.00 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 1.36 0.81 0.89 0.00 0.00 89 S 7.93 4.35 0.00 3.93 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 0.00 90 E 8.89 4.13 0.00 2.14 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 2.40 2.43 0.00 91 Q 8.01 4.98 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.50 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 92 A 9.02 4.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 9.10 5.19 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 94 A 9.09 5.22 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 95 Y 9.58 4.68 0.00 3.18 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 96 V 8.65 4.54 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 0.52 0.00 0.00 1.00 0.00 0.00 97 I 8.52 4.64 1.98 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 1.28 0.64 0.96 0.00 0.00 98 K 9.22 4.43 0.00 2.00 1.70 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.55 7.81 99 I 8.33 3.63 1.78 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 1.71 1.20 0.88 0.00 0.00 100 N 8.07 4.59 0.00 2.97 3.28 0.00 0.00 6.75 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 0.00 101 E 8.27 4.24 0.00 2.15 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 2.33 2.32 0.00 102 L 7.87 4.02 0.00 1.74 1.81 0.89 0.42 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 0.00 103 K 7.55 3.84 0.00 1.95 1.98 0.00 1.25 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.45 7.81 104 E 8.10 3.87 0.00 2.08 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 0.00 2.37 2.46 0.00 105 L 7.40 4.08 0.00 1.88 1.90 0.88 0.76 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 0.00 106 L 7.99 4.17 0.00 1.02 0.75 0.56 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.98 4.17 0.00 4.04 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 0.00 108 K 7.55 4.68 0.00 1.83 1.94 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.64 7.81 109 N 7.74 4.63 0.00 2.41 2.25 0.00 0.00 7.13 8.01 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 0.00 110 L 8.39 4.10 0.00 1.78 1.55 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 111 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 1.14 0.00 0.00 112 H 7.97 4.32 0.00 3.11 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.11 4.32 0.00 2.97 2.63 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 0.00 114 F 8.11 4.20 0.00 3.26 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 0.00 115 Y 8.02 4.09 0.00 3.00 2.99 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 0.00 116 V 7.74 3.12 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 0.89 0.00 0.00 0.69 0.00 0.00 117 F 8.52 4.02 0.00 3.15 3.08 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 0.00 118 Q 8.59 4.10 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 119 T 7.69 3.62 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 0.23 0.00 0.00 120 L 7.45 4.06 0.00 1.74 1.52 0.81 0.88 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 0.00 121 Q 8.11 4.03 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 122 K 8.20 4.25 0.00 2.20 2.29 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.54 7.81 123 Q 8.24 4.13 0.00 2.50 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 124 V 7.97 3.59 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 1.00 0.00 0.00 0.98 0.00 0.00 125 S 8.37 4.24 0.00 4.33 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 0.00 126 Y 8.19 2.92 0.00 2.32 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 0.00 127 S 8.09 3.91 0.00 4.01 3.82 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 0.00 128 L 7.75 3.96 0.00 1.85 1.72 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.64 3.94 1.22 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 0.00 130 K 7.59 3.57 0.00 1.26 1.54 0.00 1.27 0.00 0.00 1.14 0.00 0.00 2.21 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.40 0.99 7.81 131 F 8.19 3.82 0.00 3.23 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 0.00 132 N 8.12 4.31 0.00 2.97 3.06 0.00 0.00 7.31 8.48 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 0.00 133 D 7.88 4.42 0.00 2.86 2.83 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 0.00 134 F 8.45 4.09 0.00 2.85 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 0.00 135 S 7.34 4.37 0.00 3.76 3.33 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 0.00 136 I 7.35 3.90 1.88 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 1.30 0.41 0.91 0.00 0.00 137 N 7.66 5.06 0.00 2.84 2.88 0.00 0.00 7.08 7.58 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 0.00 138 G 8.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.41 3.88 0.00 1.72 1.80 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.41 7.81 140 L 7.86 3.83 0.00 1.56 1.59 0.73 0.63 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 0.00 141 G 8.04 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 0.00 0.00 0.00 142 S 7.36 2.87 0.00 3.70 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 0.00 143 I 7.60 3.53 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.77 0.00 0.00 144 C 7.82 3.99 0.00 2.87 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.10 4.21 0.00 3.62 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 0.00 146 Q 8.11 4.16 0.00 2.44 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 147 L 8.23 3.90 0.00 1.81 1.64 0.78 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.21 3.86 0.00 1.79 1.97 1.18 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.05 4.01 2.27 0.00 0.00 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 2.05 1.31 1.23 0.00 0.00 150 L 7.94 4.28 0.00 2.02 1.74 0.74 0.78 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 0.00 151 T 7.84 3.80 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 152 Y 7.26 3.97 0.00 2.19 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 0.00 153 V 7.37 3.62 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 0.13 0.00 0.00 1.14 0.00 0.00 154 Y 7.89 4.69 0.00 3.05 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 0.00 155 G 7.88 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.56 4.76 0.00 1.68 1.61 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.43 7.81 157 E 8.94 4.47 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 158 T 8.75 4.79 4.37 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 1.36 0.00 0.00 159 P 0.00 4.23 0.00 2.04 2.15 0.00 3.69 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 2.02 2.11 0.00 160 D 7.81 4.58 0.00 2.51 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 0.00 161 G 7.14 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.61 4.59 1.81 0.00 0.00 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 1.05 0.55 0.82 0.00 0.00 163 K 8.75 3.98 0.00 1.15 1.40 0.00 1.24 0.00 0.00 1.26 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.07 0.52 7.81 164 I 8.36 4.14 1.91 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 1.28 0.63 0.92 0.00 0.00 165 T 8.18 4.53 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 1.22 0.00 0.00 166 L 7.84 3.94 0.00 1.48 1.46 0.41 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.58 4.52 0.00 2.62 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 0.00 168 N 8.40 4.29 0.00 2.69 2.36 0.00 0.00 6.91 7.78 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 0.00 169 L 6.69 3.54 0.00 1.68 1.82 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.66 4.76 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 1.24 0.00 0.00 171 M 8.39 4.07 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.62 0.00 172 Q 7.90 3.71 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.22 1.61 0.00 173 E 7.56 3.80 0.00 2.10 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 2.34 2.73 0.00 174 L 7.99 4.24 0.00 1.83 1.66 0.59 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 175 G 8.10 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 0.00 176 Y 7.68 4.52 0.00 3.30 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 0.00 177 S 7.85 4.83 0.00 4.16 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 0.00 178 S 8.09 4.92 0.00 3.84 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 0.00 179 G 7.96 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 0.00 180 I 7.66 4.09 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 0.96 0.00 0.00 181 A 8.62 4.14 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 0.00 182 H 7.94 4.87 0.00 3.21 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 8.84 4.12 0.00 3.83 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 0.00 184 S 8.13 4.09 0.00 4.01 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 0.00 185 A 8.12 4.17 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 0.00 186 V 7.82 3.58 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 187 S 8.08 4.21 0.00 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 0.00 188 R 7.65 3.89 0.00 2.02 2.00 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 189 I 7.59 3.66 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.81 0.00 0.00 190 I 7.62 3.69 1.88 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 1.53 1.20 1.03 0.00 0.00 191 S 8.33 4.07 0.00 3.96 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 0.00 192 K 7.80 3.86 0.00 1.84 1.93 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 193 L 7.70 3.89 0.00 1.64 1.56 0.83 1.35 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 0.00 194 K 8.07 4.27 0.00 1.95 1.85 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.55 7.81 195 Q 8.14 4.01 0.00 1.99 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 196 E 7.78 4.32 0.00 1.92 1.81 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 2.32 2.32 0.00 197 K 7.52 3.85 0.00 1.91 1.88 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.33 7.81 198 V 7.87 3.93 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 0.90 0.00 0.00 -0.08 0.00 0.00 199 I 7.59 5.24 2.08 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 1.23 0.89 0.93 0.00 0.00 200 V 8.73 4.55 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 0.93 0.00 0.00 0.95 0.00 0.00 201 Y 8.24 5.26 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 K 8.81 4.26 0.00 1.78 1.68 0.00 1.27 0.00 0.00 1.29 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 1.06 7.81 203 N 9.22 4.17 0.00 2.85 2.88 0.00 0.00 6.98 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 0.00 204 S 7.81 4.16 0.00 3.93 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 0.00 205 C 7.09 4.75 0.00 2.77 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 0.00 0.00 0.00 0.00 206 F 8.58 5.17 0.00 3.05 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 0.00 207 Y 9.33 5.04 0.00 2.93 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 0.00 208 V 9.09 4.54 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 0.80 0.00 0.00 0.93 0.00 0.00 209 Q 9.05 4.63 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 210 N 7.86 4.88 0.00 2.66 2.62 0.00 0.00 6.82 6.66 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 0.00 211 L 8.32 3.80 0.00 1.72 1.62 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.16 4.44 0.00 2.92 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 0.00 213 Y 8.04 3.99 0.00 3.20 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 0.00 214 L 7.74 4.37 0.00 1.97 1.80 0.95 0.80 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 0.00 215 K 8.28 4.06 0.00 2.03 1.98 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.80 1.76 7.81 216 R 7.68 3.86 0.00 1.64 1.86 0.00 2.98 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.33 0.00 217 Y 7.82 4.24 0.00 3.17 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 0.00 218 A 7.65 5.05 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 0.00 219 P 0.00 4.38 0.00 2.29 2.33 0.00 3.95 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 220 K 8.39 4.15 0.00 2.12 1.93 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.56 7.81 221 L 8.75 4.16 0.00 1.96 2.06 1.11 0.56 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 0.00 222 D 8.47 4.71 0.00 3.20 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 0.00 223 E 8.26 3.86 0.00 2.09 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 2.34 2.29 0.00 224 W 8.33 3.97 0.00 3.52 3.24 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 0.00 225 F 8.44 3.97 0.00 3.12 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 0.00 226 Y 7.45 3.47 0.00 1.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 L 7.75 4.06 0.00 1.45 1.55 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 228 A 7.47 4.24 0.04 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 *230 P 0.00 4.23 0.00 2.11 1.91 0.00 3.48 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 231 A 8.08 4.00 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 0.00 232 T 8.07 4.06 4.40 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 1.37 0.00 0.00 233 W 8.28 3.97 0.00 3.33 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 0.00 234 G 8.51 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 0.00 235 K 7.59 4.15 0.00 1.62 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 236 L 7.24 4.55 0.00 1.51 1.47 0.56 0.82 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 0.00 237 N 7.48 4.27 0.00 1.44 1.53 0.00 0.00 6.76 6.84 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 * Residues marked with a * may have inaccurate shift predictions.