NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3408 8.3044 120.3314 55.2943 33.3232 175.0332 2 D 4.4149 8.4229 124.2703 51.5342 39.9795 174.8750 3 T 4.2734 9.0361 116.1156 62.0543 70.2047 175.1589 4 R 4.0914 7.8793 122.0446 55.9012 30.8481 174.4449 5 P 4.8417 0.0000 0.0000 62.5221 33.7223 174.6221 6 I 4.4998 8.8138 122.5097 60.2724 38.8644 175.3648 7 G 4.3577 9.3083 114.6977 45.2714 0.0000 172.5824 8 F 5.4243 9.4979 121.4072 55.2519 42.8599 173.9579 9 L 4.9893 8.6269 123.5076 54.1584 43.5391 174.8986 10 D 5.0253 8.2814 119.1898 53.2425 44.4994 176.3613 11 S 4.3352 9.0258 119.4357 60.0458 64.8698 174.7703 12 G 4.3517 7.9508 109.4675 45.5438 0.0000 175.7242 13 V 5.0624 8.1091 122.3331 58.7786 32.8940 177.4070 14 G 4.1553 8.1120 109.3414 47.3296 0.0000 175.3812 15 G 4.0136 9.0418 107.5678 47.1674 0.0000 175.4033 16 L 3.8673 8.4288 121.8118 57.7969 41.5621 179.4041 17 T 3.8469 8.2463 110.2034 64.4994 68.6031 176.9652 18 V 3.6443 7.8800 121.3585 65.6051 31.4873 178.1350 19 V 3.0094 7.5975 117.6105 65.9933 31.3961 177.4803 20 C 4.0327 7.9648 116.3786 62.9082 27.9523 175.7715 21 E 3.9250 8.0110 120.6693 59.0824 29.1586 178.5206 22 L 3.9945 8.1817 120.7112 58.4349 41.9749 179.0061 23 I 3.6980 7.8335 118.6703 64.3926 37.0510 178.1629 24 R 4.0506 7.9372 118.7105 59.3649 30.0631 178.0198 25 Q 4.3999 8.1572 116.2536 56.7121 30.6800 176.2584 26 L 4.8873 8.4848 119.3358 51.9257 42.3492 175.2087 27 P 4.4397 0.0000 0.0000 65.3898 31.9620 178.1967 28 H 4.8036 8.0352 110.8060 55.5957 29.2154 174.8034 29 E 4.3793 7.5762 120.9960 54.9982 30.4861 176.2823 30 K 4.5031 8.4586 122.7511 56.5003 33.8929 175.8514 31 I 5.1715 8.5568 122.1593 59.5964 41.2250 174.7477 32 V 4.8618 8.8201 125.0732 61.4910 34.2187 173.4704 33 Y 5.3835 9.1515 129.6315 55.9790 42.3152 174.2398 34 I 5.0128 7.1252 124.9610 59.4124 41.4505 173.7645 35 G 4.9859 8.1603 114.6375 45.0146 0.0000 171.9147 *45 R 4.1341 8.4456 120.3920 54.6292 31.2747 173.7410 46 P 4.3723 0.0000 0.0000 62.8556 31.3544 176.5717 47 K 4.1469 8.1223 117.4256 58.3962 31.8969 179.5256 48 K 4.0277 7.9144 118.1392 59.9529 32.1500 178.8485 49 Q 3.6259 7.8354 119.0986 59.1507 29.0536 178.0652 50 I 3.5951 7.2152 120.7592 63.8431 37.0155 178.3457 51 K 3.9572 8.4892 121.0631 59.6458 32.1271 178.5546 52 E 4.2052 8.2655 118.7204 59.8911 29.5707 179.0290 53 Y 4.4347 8.2541 116.7625 61.5582 37.8568 178.9675 54 T 3.8251 8.2892 116.6480 66.5074 68.5947 176.6165 55 W 4.1732 8.3653 120.8231 60.0058 29.0643 178.4461 56 E 4.2279 8.5137 118.4961 59.3271 28.8624 179.4167 57 L 3.9705 7.7859 118.7873 57.6415 41.6017 179.6809 58 V 3.5193 8.0449 118.6150 66.0740 31.5463 177.7227 59 N 4.3874 8.8829 116.6253 56.2887 38.1458 177.1358 60 F 3.9869 8.0322 120.9273 61.3393 39.8719 176.7344 61 L 3.9358 7.9597 118.5603 57.9268 41.3955 179.6613 62 L 4.0117 8.1316 119.1269 57.7472 41.3179 179.3612 63 T 3.9979 7.3214 107.9088 63.6725 68.8589 175.6730 64 Q 4.0708 7.3138 119.6321 54.6113 29.4612 174.6661 65 N 4.0974 7.7397 117.3417 54.5803 37.7254 174.6506 66 V 4.1345 7.5624 109.5582 61.0449 32.7672 176.7247 67 K 4.4128 8.3263 121.4617 57.2171 33.3102 175.8562 68 M 4.6228 7.2858 118.5041 55.0468 35.8385 172.9855 69 I 4.7989 8.2047 124.2682 59.4654 41.0026 174.3913 70 V 4.6776 8.6542 127.6340 61.0170 32.8081 174.5150 71 F 4.6110 9.5693 127.6267 57.1328 39.0932 176.3730 72 A 4.1083 9.1615 127.3061 55.0284 18.6241 177.7813 73 C 4.2093 8.2073 115.2943 60.0309 32.4976 173.9347 74 N 4.4237 8.6675 121.5848 56.0094 38.6047 178.0601 75 T 3.9953 7.8777 116.6146 66.2458 68.5983 176.6207 76 A 4.0787 8.0252 122.3804 55.4609 18.4009 179.4498 77 T 3.8490 7.7068 113.6685 66.9899 68.3460 176.5927 78 A 4.0615 7.8760 121.0364 54.9682 18.4057 179.6138 79 V 3.7918 7.8576 115.6328 65.2862 32.1836 176.7609 80 A 4.6352 8.6679 118.4269 50.8249 20.5911 177.2769 81 W 3.1486 7.9871 126.4405 60.4879 30.4132 177.8915 82 E 3.0398 7.5328 117.3258 58.6163 28.5298 179.0070 83 E 3.8723 7.7167 118.5080 59.2429 30.2985 178.4527 84 V 3.6586 7.7103 118.4237 65.7584 31.1826 177.8511 85 K 3.8773 8.0531 119.3775 59.4144 31.7920 178.5091 86 A 3.8034 7.6619 119.2845 53.8349 18.4383 178.2976 87 A 4.5364 7.7081 117.0442 51.3215 20.0847 176.6612 88 L 4.7070 6.8044 116.8661 53.1115 43.7994 176.2118 89 D 4.7151 8.5245 118.9859 53.2906 40.0099 175.9423 90 I 4.4540 7.0847 112.7005 58.1945 40.7626 173.6368 91 P 4.2586 0.0000 0.0000 63.1819 32.4963 175.5296 92 V 5.1052 8.1107 121.3890 61.5848 34.7505 173.6932 93 L 4.7758 9.0013 126.5827 54.6797 44.4590 174.4188 94 G 3.8620 7.3733 106.0781 44.2078 0.0000 173.5445 95 V 4.0083 7.5751 111.7311 62.6385 31.7311 179.1245 96 V 3.2303 7.1277 119.4308 65.0784 31.3674 177.3311 97 L 3.8183 7.2548 119.6259 57.7337 41.9666 177.0314 98 P 4.4209 0.0000 0.0000 65.7740 31.1093 178.5522 99 G 3.7439 8.3895 106.5552 46.9272 0.0000 175.4246 100 A 4.1211 8.5548 123.7856 55.1881 18.3255 179.7437 101 S 4.0715 8.7504 111.6227 61.3997 62.3509 176.2298 102 A 4.0001 8.2821 123.4346 54.9849 18.0708 179.4185 103 A 3.9415 8.2272 119.3951 55.4330 18.2257 179.9335 104 I 3.6700 7.4337 116.8576 64.4937 37.2444 178.5007 105 K 4.1604 7.7734 118.1044 58.7064 32.0772 178.6286 106 S 4.3911 8.0004 111.9426 58.6167 62.8920 174.1715 107 T 4.2168 7.8492 116.4857 62.0178 67.6263 173.5666 108 T 4.2081 8.4823 119.4380 63.7291 69.5449 176.0388 109 K 4.2176 8.1375 119.5408 55.0887 32.9127 177.5781 110 G 3.8025 8.1103 108.1632 45.6080 0.0000 173.1743 111 Q 4.3619 8.5260 120.3842 54.4272 29.4334 174.3754 112 V 4.8115 8.7335 124.6561 60.8211 34.5065 174.6340 113 G 4.6515 9.4101 114.1059 44.6995 0.0000 172.0689 114 V 5.0591 8.7916 119.7720 60.0717 35.0803 173.5159 115 I 4.9278 7.4888 117.6208 58.5977 40.7690 175.2868 116 G 4.2884 7.9002 108.4341 46.6736 0.0000 172.2504 117 T 4.2960 8.0926 113.9084 61.0486 68.3033 173.8318 118 P 4.2494 0.0000 0.0000 66.3484 31.4290 178.7597 119 M 4.0808 8.0212 116.5380 58.6780 31.7521 178.7895 120 T 3.8970 7.7146 113.9519 66.6467 69.0593 176.4404 121 V 3.7595 8.1975 120.2228 66.0740 31.3790 177.6236 122 A 4.0930 8.1452 119.8068 55.4880 18.1938 179.4999 123 S 4.1852 7.9765 110.9856 59.2667 63.3814 174.3241 124 D 4.4761 8.6296 120.6907 54.9475 40.3873 174.6704 125 I 3.6634 7.5893 119.1822 64.1565 37.4973 177.3581 126 Y 3.8672 7.9095 116.8190 61.0921 37.8480 178.2715 127 R 4.0721 8.0824 119.1734 59.1746 30.2933 178.4203 128 K 3.9567 8.0812 118.4179 59.5726 32.1757 179.5111 129 K 4.0475 8.2823 118.7638 59.2831 31.9807 179.4583 130 I 3.7195 7.9391 120.1230 64.7564 36.8189 178.6026 131 Q 4.4854 8.6136 118.5799 58.2808 28.2413 178.5187 132 L 3.9922 7.6075 121.3121 57.7038 42.1621 178.2942 133 L 4.5024 7.6918 117.2226 55.6034 43.1636 176.8678 134 A 4.5802 8.4684 123.1289 48.8017 19.3336 174.0238 135 P 4.3985 0.0000 0.0000 65.1920 31.3117 178.2468 136 S 4.5234 7.8855 111.8069 58.4944 63.2263 173.7898 137 I 4.0674 7.4082 122.6385 61.0666 37.6575 175.8593 138 Q 4.3052 8.7468 126.5968 55.6728 30.0214 175.2697 139 V 4.9130 8.3250 122.6665 61.2298 34.6414 174.4807 140 R 4.5560 9.3250 127.4558 54.7377 32.3203 175.1299 141 S 5.1274 8.6792 121.0725 57.0033 64.2579 173.9373 142 L 4.6339 9.2217 127.6260 53.6584 44.4675 174.5777 143 A 4.7806 8.2860 123.6233 50.1756 21.1196 177.4104 144 C 4.4025 8.1801 118.7085 57.8493 29.3368 173.2758 145 P 4.5306 0.0000 0.0000 64.1758 31.8604 178.6455 146 K 4.1881 7.7375 118.0350 58.7902 32.3508 177.5626 147 F 4.7801 7.6766 118.0275 57.0135 36.9582 175.0081 148 V 4.4123 7.8001 117.4347 58.4186 33.6588 174.2233 149 P 4.1840 0.0000 0.0000 63.4012 31.2590 175.9460 150 I 4.5657 8.1612 124.0692 59.5209 39.2832 176.4533 151 V 4.1145 8.5729 118.8256 64.3934 32.4497 176.8721 152 E 4.9203 7.7998 116.9010 54.4196 29.6815 177.0360 153 S 4.3480 8.0542 115.8448 61.1932 63.5449 177.3639 154 N 4.3790 8.0643 117.3577 55.5314 37.1759 175.8677 155 E 4.0892 8.3546 117.6445 57.9734 29.7970 176.5806 156 M 4.3147 7.4644 119.0423 54.0722 33.3117 175.4460 157 C 4.0162 8.6720 122.4771 60.3273 28.8671 174.8734 158 S 4.0919 8.9834 120.5053 61.8128 61.7815 176.7989 159 S 4.1301 8.0018 116.6200 60.6295 62.8963 176.4020 160 I 3.8085 7.9363 124.1544 64.1865 37.0320 177.9844 161 A 3.9805 7.8847 121.1721 54.8487 18.1499 179.3969 162 K 3.8718 8.3469 118.5589 59.4650 32.3027 178.9458 163 K 4.0023 7.7290 118.8116 59.7083 31.9449 178.8611 164 I 3.7954 7.5036 118.6496 64.3721 37.2676 178.3452 165 V 3.8671 8.4266 119.4603 66.1836 31.4817 177.0703 166 Y 4.1548 8.3815 119.3902 61.1570 38.3821 177.8925 167 D 4.2203 8.1451 117.2887 56.9542 41.1872 177.6761 168 S 4.4167 8.1135 114.3794 59.5109 64.2752 175.3213 169 L 4.3939 7.3542 119.0784 54.2911 41.7013 178.1513 170 A 3.7169 7.3471 124.6451 54.7745 18.4305 178.7627 171 P 4.2549 0.0000 0.0000 65.7013 31.4595 177.9143 172 L 4.0815 7.3297 115.8857 56.6239 41.8530 177.4665 173 V 3.4113 7.2246 118.2635 64.8939 31.9237 175.9800 174 G 3.5858 8.6001 116.5799 45.8508 0.0000 172.8879 *176 I 3.9191 7.1452 109.6898 60.7660 39.2426 175.5439 177 D 4.8555 8.9041 121.4694 53.9609 40.5639 175.8873 178 T 5.0415 7.5364 116.2399 62.3636 73.4993 172.0815 179 L 5.0376 9.0261 128.2961 53.2446 45.1924 174.9929 180 V 4.3765 8.7713 127.0202 61.7980 33.5780 175.1907 181 L 4.4973 8.7528 129.1370 53.3501 40.8413 177.1721 182 G 3.8211 8.5885 108.2425 46.1730 0.0000 170.1490 183 C 4.5852 7.6608 120.0181 56.8666 34.4404 175.1908 184 T 3.8726 8.5084 116.8240 64.4796 68.6934 174.9899 185 H 4.6119 7.7501 115.5487 55.8700 29.6195 176.4108 186 Y 4.3327 7.8561 119.1845 60.8178 37.5919 176.2555 187 P 4.4652 0.0000 0.0000 65.0293 31.1598 178.0698 188 L 4.0646 7.5358 116.3102 56.1642 41.6913 177.5350 189 L 4.5052 7.7644 118.8182 54.4164 42.1622 178.1112 190 R 3.7842 7.6517 120.2479 59.4252 29.8381 176.4108 191 P 4.1240 0.0000 0.0000 65.8865 31.2363 178.6645 192 I 3.6562 7.5445 117.5879 64.4936 37.1683 178.0663 193 I 3.6390 7.5644 120.6479 64.6875 36.7291 178.2053 194 Q 3.9254 8.5935 119.5654 59.1284 29.0815 177.5607 195 N 4.3820 8.0991 118.0455 56.7614 38.8804 176.7309 196 V 3.6209 8.2648 119.0285 66.4405 31.6930 177.2012 197 M 4.3636 8.1985 115.2477 54.3227 31.9980 177.2141 198 G 4.0722 7.9615 107.4627 44.4097 0.0000 172.7518 199 P 4.2038 0.0000 0.0000 63.9188 31.6702 176.9949 200 S 4.5172 7.9391 112.8214 58.0320 63.3008 173.3925 201 V 4.4314 7.0643 121.5231 61.2696 32.6630 175.0171 202 K 4.2668 8.5313 130.3043 56.0632 33.2635 175.5016 203 L 4.9029 8.5179 127.4766 53.8994 43.2670 175.9002 204 I 4.2777 8.9136 124.6742 59.8314 39.5568 174.3916 205 D 4.8450 8.6068 127.9093 52.7617 40.8675 176.5106 206 S 4.2667 8.9083 122.3304 61.6984 63.0302 176.6341 207 G 3.6740 8.2719 107.2123 47.8706 0.0000 175.3897 208 A 4.0920 7.9656 122.1682 54.9154 18.4915 179.6315 209 E 3.9505 8.3099 117.3024 59.3683 29.3813 179.1327 210 C 4.0749 8.1991 119.0625 62.5635 31.5841 175.7392 211 V 3.6407 7.7968 119.7817 66.0834 31.0283 177.9613 212 R 3.9485 7.7645 118.6217 59.3169 29.8935 178.3118 213 D 4.4573 7.9808 118.3488 57.3475 40.7627 178.3724 214 I 3.7137 8.0203 120.7716 64.6740 37.2281 178.0020 215 S 4.1440 7.8364 113.6104 61.6045 62.1630 176.3607 216 V 3.6627 7.4351 119.2588 66.2367 31.2224 178.0078 217 L 4.3133 8.2689 118.4830 57.5863 41.4411 179.4334 218 L 4.1682 8.4669 119.6599 57.6294 41.5293 179.2816 219 N 4.6247 8.2255 117.7789 55.9353 38.3645 176.7042 220 Y 3.8163 8.1648 120.3811 60.6122 38.8129 176.9951 221 F 4.2088 8.4016 114.9362 56.7885 39.7693 174.8366 222 D 4.4533 7.9190 119.8484 55.6437 39.4454 173.0564 223 I 4.7581 8.2622 105.8510 60.6111 38.5070 176.1121 224 N 4.4825 8.3374 117.7652 54.3634 39.1835 175.9331 225 G 4.0931 8.7733 110.8273 44.1437 0.0000 172.3268 226 N 4.5364 8.4661 118.7600 53.1103 38.6822 175.1838 227 Y 3.9275 8.5891 124.4800 60.8395 38.2880 176.0096 228 H 4.9946 8.4230 117.5791 55.1602 28.9613 174.7880 229 Q 4.5269 7.6348 114.0258 55.4240 30.8036 172.4834 230 K 4.7498 8.4986 120.6088 54.3442 33.1497 176.1151 231 A 4.0939 8.5362 130.2646 52.9412 18.6178 177.2475 232 V 4.3798 8.2295 112.9815 60.8405 34.2248 175.7623 233 E 4.7822 7.7357 118.9363 55.9541 28.2696 175.9586 234 H 4.7891 7.9666 115.7387 55.8521 30.6036 176.7748 235 R 4.5199 8.8984 119.8900 54.4437 33.7095 174.3077 236 F 5.3753 8.6633 122.2331 55.7569 42.0204 174.6160 237 F 5.3675 9.4800 121.6179 56.2235 43.3133 173.8642 238 T 4.8642 8.4242 113.3565 61.2462 70.6810 174.0789 239 T 4.8794 8.6329 115.1649 61.4676 69.6731 174.1219 240 A 4.8393 7.3762 125.9511 50.5258 21.4596 174.6814 241 N 4.3377 8.8819 113.4713 53.1385 39.0688 173.3484 242 P 4.3628 0.0000 0.0000 65.5372 31.3563 178.3302 243 E 4.0957 8.1285 118.2543 59.4173 29.5701 179.1152 244 I 3.6603 7.7306 112.6128 63.7708 37.5909 177.7510 245 F 3.7947 8.1200 122.1581 60.9977 39.2131 176.8682 246 Q 3.8526 8.1695 117.2187 59.5109 27.8204 178.4379 247 E 3.7577 7.7122 120.7663 59.0103 29.4943 179.5984 248 I 3.0463 7.3029 119.2191 64.0677 36.9880 178.4241 249 A 3.4925 7.5253 121.8407 55.0493 18.0553 179.8376 250 S 4.5709 8.3596 115.5493 61.1031 62.5722 177.0951 251 I 3.7654 7.1907 122.0745 64.0610 36.7883 178.4974 252 W 4.2989 7.8890 118.5543 59.3399 28.9765 177.1038 253 L 4.2896 8.1870 115.8938 53.8291 41.8127 176.3517 254 K 3.7999 7.2831 117.9831 56.1502 30.3061 175.2728 255 Q 4.4303 7.4841 112.8609 55.3761 31.7567 173.7138 256 K 3.8698 8.8390 121.2761 56.7563 31.4947 176.2596 257 I 4.3193 7.5465 117.6110 58.9951 39.3698 174.7435 258 N 4.7886 8.5383 120.4221 51.9502 40.3758 174.3088 259 V 4.5989 8.1607 125.0235 61.6063 34.3553 174.2685 260 E 4.6521 8.4947 123.7489 54.5513 32.7284 173.8510 261 H 4.8052 9.0177 127.2672 56.2429 30.9024 174.5833 262 V 4.5380 8.7865 117.9164 59.7400 36.0173 174.8560 263 T 4.3901 8.2813 117.7595 59.9387 67.9494 174.2395 264 L 4.0892 8.3322 127.9391 55.1505 41.5617 177.3709 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.34 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 2 D 8.42 4.41 0.00 2.69 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 3 T 9.04 4.27 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 1.22 0.00 0.00 4 R 7.88 4.09 0.00 2.02 2.01 0.00 3.29 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 5 P 0.00 4.84 0.00 2.16 2.20 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 6 I 8.81 4.50 2.06 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 1.16 0.72 0.60 0.00 0.00 7 G 9.31 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.50 5.42 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.63 4.99 0.00 1.47 1.49 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.28 5.03 0.00 2.88 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 9.03 4.34 0.00 4.08 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 12 G 7.95 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.11 5.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.73 0.00 0.00 14 G 8.11 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 0.00 0.00 0.00 0.00 15 G 9.04 4.01 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 0.00 0.00 0.00 16 L 8.43 3.87 0.00 2.18 1.90 0.30 0.41 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 17 T 8.25 3.85 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 0.92 0.00 0.00 18 V 7.88 3.64 2.37 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 1.29 0.00 0.00 1.04 0.00 0.00 19 V 7.60 3.01 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 0.93 0.00 0.00 0.46 0.00 0.00 20 C 7.96 4.03 0.00 3.16 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.01 3.93 0.00 2.23 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 2.33 2.39 0.00 22 L 8.18 3.99 0.00 1.91 1.75 1.14 1.07 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 23 I 7.83 3.70 2.02 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 1.40 0.72 0.94 0.00 0.00 24 R 7.94 4.05 0.00 1.90 2.12 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 25 Q 8.16 4.40 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 26 L 8.48 4.89 0.00 1.68 1.38 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.44 0.00 2.25 2.17 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 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0.00 3.33 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 46 P 0.00 4.37 0.00 2.17 2.20 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 47 K 8.12 4.15 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.52 7.81 48 K 7.91 4.03 0.00 1.76 1.88 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.54 7.81 49 Q 7.84 3.63 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 50 I 7.22 3.60 2.05 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 1.45 0.38 0.95 0.00 0.00 51 K 8.49 3.96 0.00 1.82 2.05 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.66 7.81 52 E 8.27 4.21 0.00 2.15 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 2.40 2.56 0.00 53 Y 8.25 4.43 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.29 3.83 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 1.02 0.00 0.00 55 W 8.37 4.17 0.00 3.65 3.28 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 56 E 8.51 4.23 0.00 2.25 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 2.43 2.76 0.00 57 L 7.79 3.97 0.00 1.79 1.57 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.04 3.52 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.63 0.00 0.00 59 N 8.88 4.39 0.00 3.04 2.93 0.00 0.00 6.70 8.11 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 60 F 8.03 3.99 0.00 2.95 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.96 3.94 0.00 1.93 1.66 1.01 0.70 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 62 L 8.13 4.01 0.00 1.82 1.70 1.01 0.55 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 63 T 7.32 4.00 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 1.22 0.00 0.00 64 Q 7.31 4.07 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.85 0.00 0.00 0.00 0.00 0.00 1.53 1.95 0.00 65 N 7.74 4.10 0.00 2.79 2.82 0.00 0.00 7.13 7.87 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 66 V 7.56 4.13 2.31 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 0.79 0.00 0.00 0.98 0.00 0.00 67 K 8.33 4.41 0.00 1.74 1.90 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.36 7.81 68 M 7.29 4.62 0.00 1.99 1.82 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 2.45 2.39 0.00 69 I 8.20 4.80 1.90 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 1.06 0.54 0.93 0.00 0.00 70 V 8.65 4.68 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 0.96 0.00 0.00 0.41 0.00 0.00 71 F 9.57 4.61 0.00 2.72 2.96 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 72 A 9.16 4.11 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.21 4.21 0.00 3.34 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.67 4.42 0.00 2.88 2.89 0.00 0.00 6.99 7.05 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 75 T 7.88 4.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 76 A 8.03 4.08 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 77 T 7.71 3.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 78 A 7.88 4.06 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 79 V 7.86 3.79 2.15 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 0.88 0.00 0.00 1.05 0.00 0.00 80 A 8.67 4.64 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 81 W 7.99 3.15 0.00 2.33 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.53 3.04 0.00 1.64 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 83 E 7.72 3.87 0.00 1.98 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 2.72 2.56 0.00 84 V 7.71 3.66 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 -0.32 0.00 0.00 85 K 8.05 3.88 0.00 1.71 1.48 0.00 1.89 0.00 0.00 1.33 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.43 7.81 86 A 7.66 3.80 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.43 3.67 2.05 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 1.54 0.73 0.92 0.00 0.00 105 K 7.77 4.16 0.00 1.82 1.87 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 106 S 8.00 4.39 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 0.00 107 T 7.85 4.22 4.42 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 1.25 0.00 0.00 108 T 8.48 4.21 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 1.21 0.00 0.00 109 K 8.14 4.22 0.00 1.90 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.37 7.81 110 G 8.11 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.53 4.36 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 112 V 8.73 4.81 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 0.85 0.00 0.00 0.94 0.00 0.00 113 G 9.41 4.65 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 0.00 0.00 0.00 114 V 8.79 5.06 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 0.79 0.00 0.00 0.52 0.00 0.00 115 I 7.49 4.93 2.00 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 1.30 1.62 0.91 0.00 0.00 116 G 7.90 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.09 4.30 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 1.29 0.00 0.00 118 P 0.00 4.25 0.00 2.21 2.14 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 119 M 8.02 4.08 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 120 T 7.71 3.90 4.50 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 1.40 0.00 0.00 121 V 8.20 3.76 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 1.03 0.00 0.00 0.99 0.00 0.00 122 A 8.15 4.09 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 0.00 123 S 7.98 4.19 0.00 4.10 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 0.00 124 D 8.63 4.48 0.00 2.90 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 0.00 125 I 7.59 3.66 1.85 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 1.41 1.08 0.78 0.00 0.00 126 Y 7.91 3.87 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 0.00 127 R 8.08 4.07 0.00 1.93 2.07 0.00 3.20 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 128 K 8.08 3.96 0.00 2.05 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.75 7.81 129 K 8.28 4.05 0.00 1.72 1.86 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.63 1.60 7.81 130 I 7.94 3.72 2.10 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 1.60 0.79 0.95 0.00 0.00 131 Q 8.61 4.49 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 132 L 7.61 3.99 0.00 1.95 1.88 0.92 1.03 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 0.00 133 L 7.69 4.50 0.00 1.81 1.71 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.47 4.58 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.40 0.00 2.19 2.23 0.00 3.37 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 136 S 7.89 4.52 0.00 3.88 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 0.00 137 I 7.41 4.07 2.01 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 1.24 0.48 0.97 0.00 0.00 138 Q 8.75 4.31 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 139 V 8.33 4.91 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 0.86 0.00 0.00 1.02 0.00 0.00 140 R 9.32 4.56 0.00 1.72 1.82 0.00 3.15 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 141 S 8.68 5.13 0.00 3.76 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 0.00 142 L 9.22 4.63 0.00 1.69 1.48 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.29 4.78 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 0.00 144 C 8.18 4.40 0.00 2.55 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.53 0.00 2.19 2.18 0.00 3.64 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 1.95 1.96 0.00 146 K 7.74 4.19 0.00 1.74 2.01 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.45 7.81 147 F 7.68 4.78 0.00 3.09 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 0.00 148 V 7.80 4.41 2.15 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 0.82 0.00 0.00 0.99 0.00 0.00 149 P 0.00 4.18 0.00 2.10 2.24 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 150 I 8.16 4.57 1.91 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 1.44 0.81 0.97 0.00 0.00 151 V 8.57 4.11 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 0.50 0.00 0.00 0.93 0.00 0.00 152 E 7.80 4.92 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 153 S 8.05 4.35 0.00 3.94 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 0.00 154 N 8.06 4.38 0.00 2.83 2.97 0.00 0.00 6.07 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 0.00 155 E 8.35 4.09 0.00 2.06 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 2.35 2.39 0.00 156 M 7.46 4.31 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 157 C 8.67 4.02 0.00 3.02 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 0.00 158 S 8.98 4.09 0.00 4.02 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 0.00 159 S 8.00 4.13 0.00 4.06 4.15 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 0.00 160 I 7.94 3.81 2.02 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 1.45 0.90 0.91 0.00 0.00 161 A 7.88 3.98 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 0.00 162 K 8.35 3.87 0.00 1.91 1.81 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.45 7.81 163 K 7.73 4.00 0.00 1.97 1.98 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.58 7.81 164 I 7.50 3.80 2.01 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 1.45 0.82 0.99 0.00 0.00 165 V 8.43 3.87 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 1.07 0.00 0.00 0.78 0.00 0.00 166 Y 8.38 4.15 0.00 3.14 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 0.00 167 D 8.15 4.22 0.00 2.90 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 0.00 168 S 8.11 4.42 0.00 3.70 3.37 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 0.00 169 L 7.35 4.39 0.00 1.69 1.66 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 170 A 7.35 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.25 0.00 1.99 2.10 0.00 3.60 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 172 L 7.33 4.08 0.00 1.84 1.72 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 173 V 7.22 3.41 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.12 0.00 0.00 174 G 8.60 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 *176 I 7.15 3.92 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 1.47 0.65 0.91 0.00 0.00 177 D 8.90 4.86 0.00 2.78 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 0.00 178 T 7.54 5.04 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 1.24 0.00 0.00 179 L 9.03 5.04 0.00 1.71 1.48 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.77 4.38 1.79 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 0.37 0.00 0.00 0.87 0.00 0.00 181 L 8.75 4.50 0.00 1.64 1.72 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.59 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 0.00 183 C 7.66 4.59 0.00 1.76 1.18 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 0.00 0.00 0.00 0.00 184 T 8.51 3.87 4.38 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 1.31 0.00 0.00 185 H 7.75 4.61 0.00 3.37 3.68 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Y 7.86 4.33 0.00 3.09 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 0.00 187 P 0.00 4.47 0.00 2.05 2.18 0.00 3.58 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 188 L 7.54 4.06 0.00 1.53 1.52 0.00 0.45 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 0.00 189 L 7.76 4.51 0.00 1.51 1.35 0.30 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 190 R 7.65 3.78 0.00 1.96 1.89 0.00 3.10 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 191 P 0.00 4.12 0.00 2.15 2.08 0.00 3.58 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 192 I 7.54 3.66 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 0.91 0.00 0.00 193 I 7.56 3.64 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.92 0.00 0.00 194 Q 8.59 3.93 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 195 N 8.10 4.38 0.00 2.97 2.92 0.00 0.00 6.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.26 3.62 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 1.09 0.00 0.00 1.03 0.00 0.00 197 M 8.20 4.36 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 198 G 7.96 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 P 0.00 4.20 0.00 2.19 2.17 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 200 S 7.94 4.52 0.00 3.99 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 0.00 201 V 7.06 4.43 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 0.76 0.00 0.00 1.03 0.00 0.00 202 K 8.53 4.27 0.00 1.86 1.66 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.57 7.81 203 L 8.52 4.90 0.00 1.54 1.57 0.99 0.92 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 0.00 204 I 8.91 4.28 1.85 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 1.10 0.98 0.98 0.00 0.00 205 D 8.61 4.85 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 S 8.91 4.27 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 0.00 207 G 8.27 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 0.00 208 A 7.97 4.09 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 0.00 209 E 8.31 3.95 0.00 2.18 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 0.00 2.57 2.47 0.00 210 C 8.20 4.07 0.00 3.07 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 0.00 211 V 7.80 3.64 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.13 0.00 0.00 212 R 7.76 3.95 0.00 2.06 2.02 0.00 3.17 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 213 D 7.98 4.46 0.00 3.06 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 0.00 214 I 8.02 3.71 2.15 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.95 0.00 0.00 215 S 7.84 4.14 0.00 3.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 V 7.44 3.66 2.26 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 1.08 0.00 0.00 1.01 0.00 0.00 217 L 8.27 4.31 0.00 1.89 2.02 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 218 L 8.47 4.17 0.00 1.90 1.80 0.95 0.86 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 0.00 219 N 8.23 4.62 0.00 3.04 2.92 0.00 0.00 6.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 Y 8.16 3.82 0.00 2.91 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 0.00 221 F 8.40 4.21 0.00 3.28 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 0.00 222 D 7.92 4.45 0.00 2.71 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 0.00 223 I 8.26 4.76 1.91 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 1.46 0.93 1.00 0.00 0.00 224 N 8.34 4.48 0.00 2.95 2.80 0.00 0.00 6.87 7.95 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 0.00 225 G 8.77 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 0.00 0.00 0.00 226 N 8.47 4.54 0.00 2.71 2.77 0.00 0.00 6.88 7.54 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 0.00 227 Y 8.59 3.93 0.00 2.81 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 0.00 228 H 8.42 4.99 0.00 3.18 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 7.63 4.53 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 230 K 8.50 4.75 0.00 1.76 1.78 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.45 7.81 231 A 8.54 4.09 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 0.00 232 V 8.23 4.38 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 0.82 0.00 0.00 0.92 0.00 0.00 233 E 7.74 4.78 0.00 1.81 1.90 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 2.21 2.29 0.00 234 H 7.97 4.79 0.00 3.17 2.97 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 R 8.90 4.52 0.00 1.79 1.60 0.00 3.21 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 236 F 8.66 5.38 0.00 3.10 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 0.00 237 F 9.48 5.37 0.00 2.76 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 0.00 238 T 8.42 4.86 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 239 T 8.63 4.88 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 0.96 0.00 0.00 240 A 7.38 4.84 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 0.00 241 N 8.88 4.34 0.00 2.77 3.14 0.00 0.00 6.62 8.03 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 0.00 242 P 0.00 4.36 0.00 2.29 2.35 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 243 E 8.13 4.10 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 2.39 2.43 0.00 244 I 7.73 3.66 1.83 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 1.78 0.75 0.90 0.00 0.00 245 F 8.12 3.79 0.00 3.32 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 0.00 246 Q 8.17 3.85 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.58 2.33 0.00 247 E 7.71 3.76 0.00 1.99 1.90 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 2.25 2.44 0.00 248 I 7.30 3.05 1.19 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.66 -0.73 0.00 0.00 249 A 7.53 3.49 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 250 S 8.36 4.57 0.00 3.71 3.81 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 0.00 251 I 7.19 3.77 1.84 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 1.45 0.77 0.99 0.00 0.00 252 W 7.89 4.30 0.00 3.20 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 0.00 253 L 8.19 4.29 0.00 1.62 1.64 0.85 1.07 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 0.00 254 K 7.28 3.80 0.00 1.83 1.82 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.36 7.81 255 Q 7.48 4.43 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.98 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 256 K 8.84 3.87 0.00 1.71 1.81 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 257 I 7.55 4.32 1.54 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.16 0.77 0.00 0.00 258 N 8.54 4.79 0.00 2.66 2.75 0.00 0.00 6.88 7.71 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 0.00 259 V 8.16 4.60 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 0.79 0.00 0.00 1.24 0.00 0.00 260 E 8.49 4.65 0.00 1.98 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 2.31 0.00 261 H 9.02 4.81 0.00 3.20 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 V 8.79 4.54 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 0.64 0.00 0.00 0.51 0.00 0.00 263 T 8.28 4.39 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 1.21 0.00 0.00 264 L 8.33 4.09 0.00 1.55 1.49 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.