NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15A A 4.3779 8.1233 122.4678 51.8246 20.7956 175.2412 15B N 4.8454 8.6218 117.4699 51.9114 39.8608 173.2837 16 I 4.1741 9.3178 126.2282 60.2667 38.6707 174.6607 17 V 4.5891 8.1173 126.8664 60.3356 34.4475 175.4626 18 G 3.4923 9.0874 114.8260 47.9633 0.0000 174.5294 19 G 3.9940 9.3195 112.3070 46.0940 0.0000 173.1257 *29 I 4.0133 7.2700 111.9715 60.5349 39.2786 174.7076 30 E 4.7924 8.6490 124.1304 56.5904 30.5403 175.2164 31 Y 5.2155 8.6021 122.4547 55.6854 42.1091 173.8704 32 S 5.1225 9.1422 115.3788 56.7461 66.6569 172.7061 33 I 5.0304 7.9896 121.0668 60.0619 39.5301 175.6204 34 N 4.0911 9.7820 125.9921 54.9807 36.7553 173.8753 35 N 3.9992 8.1167 108.7600 54.2318 36.8970 176.3416 *39 A 4.6878 7.7526 117.4905 52.2033 20.0013 178.9833 40 S 4.3455 8.4460 110.1085 57.3874 65.2980 173.8033 41 L 5.1015 8.1453 120.1949 53.5632 45.0507 176.5388 42 C 4.8473 8.3281 118.1078 56.0959 45.4095 172.6054 43 S 5.4290 8.5957 115.1007 56.7107 65.5977 175.0332 44 V 2.7884 8.6295 123.8011 63.7021 31.8936 175.2307 45 G 3.7184 8.7873 115.5209 48.1043 0.0000 173.3936 46 F 5.1260 7.9950 115.2315 55.0020 44.7653 174.4110 47 S 4.8491 8.9225 118.7519 59.0782 64.2500 173.6909 48 V 5.0904 8.9819 116.5324 60.3869 36.8361 173.6055 48A T 5.0001 9.0223 111.1626 60.4007 72.8254 173.2441 48B R 4.1558 8.9416 122.6714 54.3527 30.8956 175.9750 48C G 3.7376 8.5837 117.0985 46.2667 0.0000 172.8634 48D A 4.2047 8.6629 126.0733 53.3354 18.9614 177.4323 49 T 4.4360 7.8714 114.2743 62.4278 69.8293 174.3049 50 K 4.6938 8.3741 124.6241 56.0773 34.5895 175.9181 51 G 4.7152 8.4494 108.3178 47.1559 0.0000 171.8083 52 F 5.6463 8.0626 113.0261 55.5354 41.5448 174.0778 53 V 4.8727 9.0170 114.3244 61.3226 33.5227 175.4709 54 T 5.1579 8.8739 116.5272 61.8086 71.1871 171.7181 55 A 4.6832 8.8669 123.5786 51.1184 19.6209 178.9043 56 G 3.8615 8.9891 111.6921 48.9626 0.0000 175.1855 57 H 3.7662 8.2007 113.9271 56.8775 28.5097 175.9171 58 C 4.2972 7.9697 118.2152 59.6917 40.2132 173.3361 59 G 3.0522 7.0654 105.2781 44.3539 0.0000 171.9174 58 T 4.0972 7.7997 113.2152 63.2917 76.4400 173.4361 59 V 3.2122 6.7654 115.6781 61.4539 35.2495 173.3174 64 N 4.2153 9.2590 121.5459 53.4721 37.2269 174.6096 65 A 4.2626 7.4787 120.3864 52.3599 20.0594 176.6202 65A T 4.8357 9.1223 117.1056 62.5378 70.4464 173.8846 66 A 5.4538 9.0340 128.7200 50.7983 21.2963 176.0677 67 R 5.5412 8.8260 119.6415 53.3505 34.9390 175.1396 *80 I 4.1266 8.2706 121.8468 62.0225 37.9444 176.1985 81 G 3.9525 9.5633 116.2303 46.7030 0.0000 174.2709 82 G 3.9287 8.4639 106.3081 45.0534 0.0000 173.7318 83 A 4.6613 7.5346 122.9074 50.0812 20.8000 176.5228 84 V 4.2071 8.2475 121.1839 63.0024 32.3334 176.2844 85 V 4.3001 8.5513 119.3356 61.0639 34.1298 175.6943 86 G 3.6982 7.0162 105.1816 45.9632 0.0000 171.0483 87 T 5.1479 7.2813 108.1538 59.5650 73.1432 173.3658 88 F 3.9004 9.2906 121.7276 57.8227 39.1276 176.2035 89 A 4.0843 7.9947 126.1294 53.5932 19.5492 176.9952 90 A 4.4577 6.8332 115.6081 51.5702 22.3698 174.6086 91 R 5.4445 8.0343 113.6504 56.5056 32.7986 173.9147 *93 V 4.5976 7.9967 119.0535 63.4182 32.9495 173.9292 94 F 5.4527 8.9054 126.0207 58.0885 41.9735 171.5280 *99A P 3.4765 0.0000 0.0000 64.2085 31.3500 174.7937 100 G 4.1349 8.6504 110.2077 44.8534 0.0000 174.1447 101 N 5.6126 7.5458 114.6132 50.7910 42.3431 173.5307 102 D 5.4074 9.1686 116.9283 53.1152 41.3283 174.4998 103 R 5.2393 9.5719 118.2944 54.6137 34.0007 174.4413 104 A 5.2668 8.9168 120.5842 51.2692 23.5186 175.1531 105 W 5.4128 8.2960 115.5949 54.7646 31.9390 174.1577 106 V 3.9002 7.7349 122.6496 60.7157 33.3593 174.2498 107 S 4.6958 8.1056 122.9788 57.0753 64.8265 173.5647 108 L 5.0878 8.4510 123.8925 53.2564 43.9373 176.4424 109 T 4.2471 8.6692 111.8290 61.0496 69.6645 175.9621 110 S 4.1152 8.5655 117.3958 61.5570 62.8174 175.8956 111 A 4.1878 7.3239 121.7813 53.7337 18.3788 177.5556 112 Q 4.4267 7.7146 114.8642 55.8873 30.0290 176.0824 113 T 4.4871 8.3935 119.3607 61.9124 70.3062 173.7941 114 L 4.6136 8.4801 127.1739 54.2898 42.6340 176.6575 115 L 4.9113 8.2128 122.8049 51.5245 45.5728 174.9132 116 P 4.8878 0.0000 0.0000 63.1745 31.0808 175.4061 117 R 5.3693 7.8490 117.0067 55.5907 35.5422 175.3617 118 V 4.9825 8.7652 120.4394 60.8856 34.6216 174.7792 119 A 4.2638 9.2228 130.2589 52.1597 19.2817 177.4932 120 N 4.3744 8.2861 119.6864 52.2438 40.6023 175.8072 120B G 4.1193 7.7889 117.3538 46.8251 0.0000 173.8215 120C S 4.1608 8.5886 120.6735 58.4394 63.3992 173.2063 120D S 4.3964 7.6382 116.4953 56.5015 64.3867 171.9464 121 F 5.2504 8.0673 116.9487 55.9911 43.1983 174.3494 122 V 4.4148 8.5878 120.9622 61.4269 33.6519 174.8760 123 T 4.6135 8.5992 124.9830 63.3869 69.5089 174.2249 124 V 4.1942 9.1570 127.0322 62.5574 32.2121 176.3620 125 R 4.2815 9.1591 126.8989 56.0133 32.0821 176.4930 126 G 3.9516 6.9268 104.5965 46.1260 0.0000 172.1591 127 S 5.2347 8.0713 110.6481 56.8628 63.2863 174.3574 128 T 4.0216 8.3892 118.0868 64.3383 68.9268 174.4439 129 E 4.2572 8.6657 127.2420 55.6259 30.3422 176.1587 130 A 4.3027 8.9914 129.4068 51.5800 19.8043 176.3302 131 A 4.5711 8.0598 122.4591 50.1476 20.8750 177.0449 132 V 3.8722 7.9945 119.3432 64.6609 31.8734 176.1777 133 G 3.9940 8.9002 115.2908 45.0735 0.0000 173.7939 134 A 4.3477 7.9577 121.3725 51.6871 19.5961 176.9999 135 A 4.8705 8.5386 121.9337 52.1343 19.6748 177.2257 136 V 4.6214 9.0482 119.0345 60.9304 35.6505 172.4648 137 C 5.2421 9.2066 118.4576 55.2327 43.3580 173.1169 138 R 4.5969 8.1981 115.4507 54.7121 32.2965 173.9059 139 S 5.0368 8.5516 115.1847 56.7520 65.5337 172.9502 140 G 4.1609 8.3924 112.0083 45.2403 0.0000 173.7728 141 R 4.1340 8.7258 117.2674 58.5612 29.7478 178.2688 142 T 4.1655 8.6822 116.7429 65.7332 69.0481 176.2927 143 T 4.3986 8.0875 108.7972 61.8186 70.4275 173.9869 *156 G 4.1892 7.4810 108.2516 46.9660 0.0000 172.5295 157 Y 4.9047 8.6729 127.6441 56.3240 39.8399 175.4964 158 Q 4.5996 8.5698 125.9102 54.2029 32.8321 174.0266 159 C 5.1013 8.2300 118.3364 55.2145 41.2175 174.1412 160 G 4.1206 8.4917 105.8498 47.1095 0.0000 172.3098 161 T 5.3277 9.0550 112.0276 59.8597 73.2820 173.6234 162 I 4.6881 8.6152 123.9640 61.5800 37.6599 176.7297 163 T 4.4935 9.0801 117.5500 62.1249 70.4721 174.2579 164 A 4.4520 7.2798 121.0894 51.2523 22.2684 175.0962 165 K 4.4730 8.2928 117.9753 54.3431 36.2800 175.0125 166 N 4.0334 8.4218 116.3637 54.7521 37.3300 174.1210 167 V 4.1045 8.1326 116.0918 62.1554 33.5829 174.4808 168 T 5.0088 8.3096 122.1081 61.9045 70.4551 173.6678 169 A 4.4357 8.9728 127.7555 50.2856 21.7484 175.5911 170 N 5.0295 8.4461 119.9888 52.1065 38.1051 174.6529 171 Y 4.7234 8.1974 121.9968 56.4683 39.4891 176.8491 172 A 3.9357 8.7389 124.0839 55.5143 18.4515 178.9114 *174 E 4.3118 8.0625 113.0330 55.1702 31.5326 175.6456 175 G 4.2692 7.1142 105.4578 42.9583 0.0000 171.8914 176 A 4.2869 7.8683 121.9182 51.7599 20.0410 177.0299 177 V 4.5888 8.3562 119.8382 61.3881 34.1869 175.2080 178 R 4.4692 8.8636 127.4792 54.9873 32.2069 176.5303 179 G 3.8451 8.5076 106.2460 46.6025 0.0000 174.0430 180 L 4.3057 8.0063 119.6068 54.4711 43.3247 176.0404 181 T 4.5714 7.7628 117.3830 61.7354 71.2640 173.2054 182 Q 4.8225 9.3031 127.5015 54.3299 31.8055 174.5587 183 G 4.7457 8.8607 112.2514 44.2014 0.0000 172.0108 184 N 5.1086 8.9184 114.1199 52.5898 38.4727 173.9258 *190 A 4.8003 8.2848 119.4432 52.7129 19.7073 176.2135 191 C 4.8900 8.6159 114.7733 55.4697 38.8089 172.3557 192 M 5.0586 9.0157 118.3584 54.3792 35.9002 173.5698 192A G 4.3943 9.6154 110.3637 43.8431 0.0000 172.0336 192B R 4.1828 8.5262 120.0783 57.5207 29.7928 177.1286 193 G 4.1987 9.1230 111.3173 46.6716 0.0000 174.5265 194 D 4.4721 8.4871 119.5309 56.3255 41.4102 176.7857 195 S 4.4896 8.0177 115.3578 60.4256 63.5045 175.3430 196 G 4.1959 9.2770 112.6640 46.5877 0.0000 173.9647 197 G 4.0068 7.8530 106.6039 45.4290 0.0000 173.4283 198 S 4.4739 8.3486 116.3870 58.0997 64.3729 173.3972 199 W 4.8666 9.1533 123.2111 54.9133 31.6989 174.5167 200 I 5.2004 9.0871 124.4861 59.8405 40.7463 173.9858 201 T 4.7818 8.7027 117.1412 60.6219 70.1553 176.0818 202 S 4.3457 8.8292 116.7967 61.2567 62.8497 175.0119 203 A 4.1546 7.6483 123.0311 53.2152 18.4730 178.5087 *207 G 3.9533 7.8040 104.2687 45.0729 0.0000 172.0481 208 Q 4.9173 7.9800 120.0116 53.9902 30.1773 175.1237 209 A 4.2477 9.1937 128.0338 52.4640 18.8409 177.5580 210 Q 4.1858 9.5725 122.5025 56.1224 31.3156 176.3278 211 G 4.3922 6.9636 104.1418 46.0466 0.0000 170.6594 212 V 5.2967 7.7916 111.5551 59.0579 35.3480 175.6366 213 A 4.5968 9.3147 127.0372 53.2717 18.8861 176.6097 214 S 4.5693 9.2743 116.7919 58.5132 64.1954 174.1475 215 G 4.2069 6.8266 103.3017 47.6037 0.0000 170.7525 216 G 4.6699 8.3691 106.0340 46.1213 0.0000 174.3439 217 N 4.8623 8.6068 118.0465 51.3875 35.8500 175.1546 217A V 3.6983 7.4799 116.3587 62.2029 33.0603 176.7987 217B Q 4.5152 8.5773 123.5124 54.5479 30.6839 176.5816 217C S 4.1836 8.5444 112.4441 61.3328 62.9755 174.5911 217D N 4.5120 8.1086 116.6768 53.0141 37.6082 175.8032 217E G 3.9569 9.6609 109.0020 45.4464 0.0000 172.4424 218 N 5.5158 8.3814 116.3978 51.9395 40.4887 174.3213 219 N 5.1483 8.2635 113.1976 52.9648 37.3878 175.2210 220 C 4.4174 9.2296 118.8962 59.8309 40.4350 174.8206 221 G 3.8557 8.0906 106.7251 45.2970 0.0000 173.0974 221A I 4.6063 7.2208 112.6149 57.5783 40.5492 173.6571 221B P 4.3683 0.0000 0.0000 62.4490 32.1302 176.9578 221C A 4.0466 8.8947 123.7696 55.6149 18.2724 180.1313 222 S 4.1852 8.1464 108.4418 60.7201 62.9999 174.9223 223 Q 4.5646 8.3657 118.5005 55.5360 29.0379 175.3925 224 R 4.5070 7.8187 117.7915 55.2621 31.4642 176.2758 225 S 4.5603 9.8885 116.1814 56.8642 65.2681 172.4901 226 S 5.3076 8.9082 123.9198 56.7825 65.3998 173.3904 227 L 5.1844 9.7436 126.5084 52.8506 44.3012 175.6932 228 F 5.2942 7.9435 116.6855 54.9183 41.7325 173.2319 229 E 4.7244 9.3472 122.3170 55.0047 30.9744 176.0245 230 R 4.6777 8.6680 126.0106 56.4776 31.0658 177.2133 231 L 4.2157 8.9685 124.0316 58.1085 42.0700 178.9919 232 Q 3.9920 8.2594 118.0038 58.8990 28.7170 177.7236 233 P 4.2916 0.0000 0.0000 65.7534 31.3699 178.4928 234 I 3.6849 7.6051 119.4226 64.1045 37.1159 178.0280 235 L 3.9780 8.0930 120.1977 57.8481 41.3410 179.8063 235A S 4.1104 8.0525 114.2296 61.2285 62.8604 176.1291 236 Q 3.7835 7.7841 122.3060 58.7397 28.8502 177.2321 237 Y 4.7964 7.3520 113.8881 56.7458 38.5809 175.5097 238 G 3.7950 7.5309 108.0410 46.6587 0.0000 173.8871 239 L 4.6417 7.9400 118.4446 53.1510 43.9247 176.8571 240 S 4.7619 8.7118 116.8997 56.4738 66.2954 173.5495 241 L 4.4169 8.4256 125.8988 54.8721 42.8911 176.2070 242 V 4.0699 8.4289 126.6367 62.7939 31.9602 175.1462 243 T 4.9100 8.5153 117.1182 60.0592 72.3376 174.2717 244 G 3.7099 8.8212 110.1548 46.0953 0.0000 172.8632 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 15A A 8.12 4.38 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 15B N 8.62 4.85 0.00 2.68 2.74 0.00 0.00 6.94 6.57 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 16 I 9.32 4.17 1.88 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 1.29 1.45 0.87 0.00 0.00 17 V 8.12 4.59 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 0.99 0.00 0.00 0.95 0.00 0.00 18 G 9.09 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.32 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 *29 I 7.27 4.01 1.86 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 1.36 1.43 0.90 0.00 0.00 30 E 8.65 4.79 0.00 1.99 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 2.26 2.24 0.00 31 Y 8.60 5.22 0.00 3.36 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 32 S 9.14 5.12 0.00 3.93 3.98 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 33 I 7.99 5.03 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.75 0.00 0.00 34 N 9.78 4.09 0.00 2.76 2.84 0.00 0.00 7.18 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 35 N 8.12 4.00 0.00 2.88 2.85 0.00 0.00 6.84 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 *39 A 7.75 4.69 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 40 S 8.45 4.35 0.00 3.70 3.71 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 41 L 8.15 5.10 0.00 1.38 1.40 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.33 4.85 0.00 2.20 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.60 5.43 0.00 3.80 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 44 V 8.63 2.79 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 0.32 0.00 0.00 0.13 0.00 0.00 45 G 8.79 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 46 F 7.99 5.13 0.00 3.11 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.92 4.85 0.00 3.93 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 48 V 8.98 5.09 2.12 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 0.92 0.00 0.00 0.93 0.00 0.00 48A T 9.02 5.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48B R 8.94 4.16 0.00 1.26 1.64 0.00 3.15 0.00 0.00 3.15 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.00 48C G 8.58 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 48D A 8.66 4.20 1.30 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 0.00 0.00 0.00 49 T 7.87 4.44 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 1.40 0.00 0.00 50 K 8.37 4.69 0.00 1.76 1.77 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.47 7.81 51 G 8.45 4.72 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 52 F 8.06 5.65 0.00 3.05 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 53 V 9.02 4.87 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 0.92 0.00 0.00 1.31 0.00 0.00 54 T 8.87 5.16 4.61 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 1.27 0.00 0.00 55 A 8.87 4.68 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 56 G 8.99 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 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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 67 R 8.83 5.54 0.00 1.81 1.85 0.00 3.29 0.00 0.00 3.29 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 *80 I 8.27 4.13 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 1.46 0.94 0.93 0.00 0.00 81 G 9.56 3.95 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 0.00 0.00 0.00 82 G 8.46 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 0.00 0.00 0.00 83 A 7.53 4.66 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 84 V 8.25 4.21 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 0.84 0.00 0.00 0.95 0.00 0.00 85 V 8.55 4.30 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 0.79 0.00 0.00 1.09 0.00 0.00 86 G 7.02 3.70 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 1.65 1.83 0.00 100 G 8.65 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 0.00 0.00 0.00 101 N 7.55 5.61 0.00 2.83 3.12 0.00 0.00 6.28 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 0.00 102 D 9.17 5.41 0.00 3.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.57 5.24 0.00 2.11 2.27 0.00 3.04 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 104 A 8.92 5.27 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 W 8.30 5.41 0.00 3.28 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 0.00 106 V 7.73 3.90 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 0.36 0.00 0.00 -0.75 0.00 0.00 107 S 8.11 4.70 0.00 3.79 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.41 0.00 0.00 0.00 0.00 0.00 2.11 2.48 0.00 159 C 8.23 5.10 0.00 2.75 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.49 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 0.00 0.00 0.00 161 T 9.06 5.33 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 1.26 0.00 0.00 162 I 8.62 4.69 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.82 0.99 0.00 0.00 163 T 9.08 4.49 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 1.25 0.00 0.00 164 A 7.28 4.45 1.16 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 0.00 165 K 8.29 4.47 0.00 1.55 1.61 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.33 7.81 166 N 8.42 4.03 0.00 2.79 2.82 0.00 0.00 6.91 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 0.00 167 V 8.13 4.10 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 0.84 0.00 0.00 0.88 0.00 0.00 168 T 8.31 5.01 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 1.11 0.00 0.00 169 A 8.97 4.44 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 0.00 170 N 8.45 5.03 0.00 2.56 2.76 0.00 0.00 7.04 7.46 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 0.00 171 Y 8.20 4.72 0.00 3.23 3.06 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 0.00 172 A 8.74 3.94 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 *174 E 8.06 4.31 0.00 2.02 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 2.61 2.52 0.00 175 G 7.11 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 0.00 0.00 0.00 0.00 176 A 7.87 4.29 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 0.00 177 V 8.36 4.59 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.25 0.00 0.00 178 R 8.86 4.47 0.00 1.69 1.80 0.00 3.30 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 179 G 8.51 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 8.01 4.31 0.00 1.57 1.41 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 181 T 7.76 4.57 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 0.89 0.00 0.00 182 Q 9.30 4.82 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 183 G 8.86 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.92 5.11 0.00 3.06 3.05 0.00 0.00 7.27 7.07 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 *190 A 8.28 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 8.62 4.89 0.00 3.15 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 0.00 192 M 9.02 5.06 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 192A G 9.62 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192B R 8.53 4.18 0.00 1.69 1.89 0.00 3.13 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 193 G 9.12 4.20 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 0.00 194 D 8.49 4.47 0.00 2.97 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 0.00 195 S 8.02 4.49 0.00 3.89 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 0.00 196 G 9.28 4.20 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 0.00 197 G 7.85 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 0.00 198 S 8.35 4.47 0.00 3.64 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 W 9.15 4.87 0.00 2.93 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 9.09 5.20 2.14 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.83 1.05 0.00 0.00 201 T 8.70 4.78 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 1.27 0.00 0.00 202 S 8.83 4.35 0.00 4.05 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 0.00 203 A 7.65 4.15 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 *207 G 7.80 3.95 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 0.00 0.00 0.00 208 Q 7.98 4.92 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 209 A 9.19 4.25 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 9.57 4.19 0.00 1.72 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 211 G 6.96 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 V 7.79 5.30 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 0.93 0.00 0.00 1.20 0.00 0.00 213 A 9.31 4.60 1.65 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 0.00 214 S 9.27 4.57 0.00 4.01 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 0.00 215 G 6.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.37 4.67 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 0.00 217 N 8.61 4.86 0.00 2.89 2.91 0.00 0.00 7.03 6.95 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 217A V 7.48 3.70 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 0.76 0.00 0.00 0.95 0.00 0.00 217B Q 8.58 4.52 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 217C S 8.54 4.18 0.00 3.98 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 217D N 8.11 4.51 0.00 2.85 2.97 0.00 0.00 6.25 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 217E G 9.66 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 0.00 218 N 8.38 5.52 0.00 3.07 2.91 0.00 0.00 6.47 6.98 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 0.00 219 N 8.26 5.15 0.00 2.78 3.16 0.00 0.00 7.04 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 0.00 220 C 9.23 4.42 0.00 3.09 3.18 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 0.00 221 G 8.09 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 0.00 0.00 0.00 221A I 7.22 4.61 1.89 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 1.56 0.80 0.92 0.00 0.00 221B P 0.00 4.37 0.00 2.25 2.23 0.00 3.87 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 2.08 1.97 0.00 221C A 8.89 4.05 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 0.00 222 S 8.15 4.19 0.00 4.00 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 0.00 223 Q 8.37 4.56 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 224 R 7.82 4.51 0.00 1.98 1.92 0.00 3.22 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 225 S 9.89 4.56 0.00 3.82 3.73 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 0.00 226 S 8.91 5.31 0.00 4.34 4.20 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 0.00 227 L 9.74 5.18 0.00 1.50 1.45 0.90 0.64 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 0.00 228 F 7.94 5.29 0.00 2.88 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 0.00 0.00 0.00 0.00 229 E 9.35 4.72 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 230 R 8.67 4.68 0.00 1.89 1.92 0.00 3.22 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 231 L 8.97 4.22 0.00 1.84 1.65 1.04 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 232 Q 8.26 3.99 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 233 P 0.00 4.29 0.00 2.24 2.29 0.00 3.62 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 2.23 2.07 0.00 234 I 7.61 3.68 2.10 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 1.77 1.09 1.20 0.00 0.00 235 L 8.09 3.98 0.00 1.82 1.68 0.86 0.67 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 235A S 8.05 4.11 0.00 4.02 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 0.00 236 Q 7.78 3.78 0.00 1.82 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 1.31 2.12 0.00 237 Y 7.35 4.80 0.00 2.83 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 0.00 238 G 7.53 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 0.00 0.00 0.00 239 L 7.94 4.64 0.00 1.40 1.42 0.74 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 240 S 8.71 4.76 0.00 3.65 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 0.00 241 L 8.43 4.42 0.00 1.57 1.50 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 242 V 8.43 4.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.99 0.00 0.00 243 T 8.52 4.91 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 0.00 244 G 8.82 3.71 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 0.00 * Residues marked with a * may have inaccurate shift predictions.