NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0010 8.0549 120.3868 62.7182 33.1138 176.1740 8 K 3.5502 7.7727 118.5255 57.6399 31.8142 176.8158 9 E 3.2982 8.1802 115.2353 56.9921 31.4566 179.5275 10 L 3.7463 7.5774 119.9835 58.2758 42.4433 178.7644 11 L 3.8709 7.9366 118.6590 58.6519 41.6175 179.1718 12 E 3.8236 8.1300 116.8079 59.7126 29.3688 179.2027 13 A 3.4007 8.1450 121.5903 55.7532 18.4164 178.7448 14 G 3.6920 7.7390 104.4228 45.9517 0.0000 174.4794 15 V 4.5637 7.1158 111.7189 59.7430 34.3499 173.8143 16 H 5.0603 8.3254 114.1183 53.7575 30.1704 173.1922 17 F 4.7795 8.7397 112.1545 56.7603 40.5635 169.9069 18 G 4.2728 9.0638 118.6047 43.2972 0.0000 171.2102 19 H 4.8314 8.1822 127.4488 55.2006 33.8981 174.2153 20 E 3.9562 8.5840 115.0526 54.8769 30.7339 175.3377 21 R 4.6595 8.1454 118.2351 55.3196 32.7472 175.4001 22 K 3.9388 9.1837 118.9459 57.2366 30.6617 175.4107 23 R 4.8251 7.7051 116.6897 54.8409 30.3152 173.7413 24 W 5.0269 8.2969 118.3603 55.6191 30.2529 175.1477 25 N 4.3496 8.4406 115.4807 51.4016 41.1866 174.3056 26 P 2.9700 0.0000 0.0000 65.2060 31.7401 177.6955 27 K 3.8966 8.6841 119.1978 59.5715 31.9754 179.1966 28 F 4.0321 7.9735 116.4872 58.7864 38.4854 176.2972 29 A 4.5505 8.2315 123.1587 53.4897 18.4394 179.7542 30 R 4.0669 7.5999 111.4551 57.7354 29.9776 176.2892 31 Y 4.7435 6.6932 116.5479 55.4335 37.5479 173.7379 32 I 4.3772 7.6112 123.1469 60.9975 40.9846 172.7654 33 Y 4.3376 9.5755 129.9895 59.2018 39.0812 174.5896 34 A 4.1960 7.2430 119.2483 52.0572 21.7918 174.3594 35 E 5.0228 8.2644 118.3887 53.7314 29.5328 174.0160 36 R 4.1044 8.0940 123.2610 55.8866 30.8919 175.9900 37 N 4.0747 9.7884 119.3692 53.7185 37.8472 172.6651 38 G 3.6285 7.4997 107.6892 45.6863 0.0000 175.2585 39 I 3.9140 7.4641 122.8610 60.9375 38.9122 174.5755 40 H 4.6762 8.3957 121.6154 55.3670 29.9788 174.9516 41 I 3.9765 9.4146 127.1154 59.5639 37.0814 174.9613 42 I 4.0900 8.1996 127.1391 61.0941 39.0569 175.1144 43 D 4.6071 9.0363 128.1513 53.5687 40.7650 176.5985 44 L 4.5693 8.5842 129.7195 57.1177 41.6073 178.7708 45 Q 3.8944 8.2201 119.3188 59.4566 28.9254 179.0639 46 K 4.6886 8.7037 121.6053 59.5963 32.1657 178.3109 47 T 3.6270 7.9271 115.2359 67.5383 68.3652 175.4662 48 M 3.7410 8.7261 118.9707 58.9558 32.5643 178.2727 49 E 3.9350 7.9605 117.6924 59.8610 29.8713 179.8255 50 E 4.0353 8.0408 117.8638 59.1853 29.4105 179.0305 51 L 4.0168 8.0711 119.4888 58.1877 41.8499 178.5455 52 E 3.8619 8.9086 115.5352 59.5549 29.1876 179.0139 53 R 3.9138 6.7787 116.5403 60.1383 31.0578 177.4574 54 T 3.8808 8.2200 115.7281 66.6888 67.7437 176.4741 55 F 4.0351 8.5332 119.6899 60.5516 38.9424 177.7409 56 R 4.0465 8.5200 118.2573 59.5200 29.7356 178.4364 57 F 4.3178 7.8767 118.3897 61.4506 39.3323 176.6000 58 I 3.4204 7.6852 119.5471 64.4626 37.0466 177.8802 59 E 4.1102 9.4144 119.9057 59.3097 29.3353 177.8980 60 D 4.5152 8.5829 114.8663 55.2730 41.3265 175.8205 61 L 4.3271 7.4728 119.1329 56.7428 44.1810 178.1668 62 A 4.0432 8.9278 121.2862 54.3220 18.3084 177.6412 63 M 4.4280 7.8591 111.3955 55.1693 31.9355 176.4992 64 R 4.4859 7.7070 116.5371 55.8954 30.1807 175.7825 65 G 3.9094 8.2565 103.0156 47.9641 0.0000 174.5623 66 G 4.1171 7.8605 106.0132 43.4177 0.0000 172.9749 67 T 4.5144 8.3454 113.6443 60.8395 70.8160 173.6413 68 I 4.8042 8.4386 123.5806 59.4377 41.1020 174.5887 69 L 5.0954 8.3863 126.8741 53.6717 44.3309 175.2856 70 F 5.6650 9.3352 125.0471 56.0031 41.0019 175.3350 71 V 4.9862 8.1573 120.4290 61.9170 35.6492 174.1971 72 G 4.1683 9.2723 112.9569 46.2343 0.0000 173.0725 73 T 4.8103 8.5648 116.0841 60.6809 69.4785 174.7937 74 K 4.5267 7.5873 121.9244 55.1991 34.6619 177.2292 75 K 3.9430 8.7150 123.2957 59.8960 32.2701 178.5626 76 Q 4.4570 7.9991 115.8683 55.9249 28.2243 175.5675 77 A 4.6316 7.9422 122.0048 52.0123 22.7163 178.4432 78 Q 4.0763 7.8345 118.1289 57.3493 28.2206 179.7380 79 D 4.0961 7.6032 119.3028 55.9327 42.4966 179.3892 80 I 3.5855 7.9810 113.8021 63.3307 37.8042 178.0454 81 V 3.4764 7.8444 121.0784 65.3504 30.5652 177.9498 82 R 3.6117 8.1602 118.6581 60.0003 29.9598 177.5130 83 M 4.0703 8.4934 118.8294 56.5392 31.5776 178.2094 84 E 3.6959 8.0062 122.5252 59.2378 30.4115 179.4606 85 A 3.5991 7.0896 120.2714 54.9456 18.5637 179.4861 86 E 3.9060 7.1234 114.7815 58.9407 29.8061 178.2070 87 R 4.2712 7.8101 118.0162 56.2538 31.4507 175.7559 88 A 4.2238 8.1062 121.4622 51.0816 22.4606 178.4768 89 G 3.8860 8.0787 103.3631 46.0518 0.0000 173.3121 90 M 4.4933 7.3922 118.6455 53.5144 33.0235 174.7564 91 P 4.8256 0.0000 0.0000 63.5242 33.0466 174.0463 92 Y 5.9733 8.4265 117.8924 57.8423 41.4193 173.5875 93 V 4.3338 8.2560 118.5109 61.5987 34.0174 174.8491 94 N 5.1542 9.1045 125.0519 53.2978 41.7154 175.2058 95 Q 4.6069 7.7767 121.5366 55.9011 27.8444 177.4738 96 R 4.1636 8.8381 127.9881 56.0929 29.4981 176.5911 97 W 4.1364 8.6303 134.1754 56.5520 28.6355 175.0301 98 L 3.6026 7.4757 123.0432 54.1130 41.9353 177.2751 99 G 3.6525 8.1793 110.3954 46.1495 0.0000 174.0447 100 G 3.8427 10.9405 113.1902 45.9082 0.0000 174.9889 101 M 3.9706 6.9829 118.9763 57.0283 32.2032 178.3959 102 L 4.0434 8.6300 122.7833 58.8519 42.3145 179.4618 103 T 4.1761 9.0775 114.7235 65.8440 68.7413 174.5906 104 N 4.7961 8.8046 121.6507 51.3444 39.3031 175.8212 105 F 4.4191 8.2067 119.4512 61.4576 38.9292 175.4781 106 K 3.7330 8.2432 118.0249 60.2648 31.7940 178.5197 107 T 4.5355 7.6386 115.2341 65.7127 68.8176 176.7401 108 I 3.8158 8.0106 122.2557 64.2181 37.1101 178.2184 109 S 3.9608 8.8067 117.3333 62.4489 62.5600 177.2267 110 Q 3.8728 7.5307 119.2333 58.9836 28.2659 180.2882 111 R 3.9746 8.3035 119.5157 58.8862 30.0294 178.6662 112 V 3.6162 8.0314 118.5491 66.7671 31.3647 177.8102 113 H 4.2212 8.2454 115.0163 58.9089 28.4109 177.6308 114 R 3.9273 7.7796 120.4753 59.2197 29.7428 177.7032 115 L 4.0382 8.2451 121.4958 57.9449 41.9869 178.4474 116 E 3.8969 8.2113 117.1631 59.6597 29.0729 178.7665 117 E 3.9216 8.2495 119.3974 59.1858 29.4430 179.0191 118 L 4.1340 7.5429 117.7984 56.7149 42.2977 178.2724 119 E 3.9321 8.5326 118.5171 59.2689 29.7298 178.5949 120 A 4.3058 8.4032 120.7933 54.6243 18.9217 179.0012 121 L 4.1179 7.2684 116.1842 56.9478 42.1355 178.3933 122 F 4.6114 8.4951 120.4409 60.5581 39.6111 175.0687 123 A 3.9239 7.0987 127.1010 51.2254 17.9358 176.0485 124 S 4.4987 7.5015 114.1657 58.0625 65.2132 175.1191 125 P 4.4701 0.0000 0.0000 64.2735 31.9079 177.7183 126 E 4.1701 7.9149 119.1432 58.3104 29.4492 178.7061 127 I 3.9558 7.1882 118.4981 63.3943 37.5202 176.8443 128 E 4.0852 8.0404 121.1614 58.6509 30.1907 176.7005 129 E 4.5105 7.3802 119.3946 56.1657 29.6753 171.8335 130 R 3.9374 8.7677 132.2174 56.1296 30.4439 175.0001 131 P 4.5078 0.0000 0.0000 62.2408 33.6517 177.2174 132 K 3.9440 8.5882 119.0065 59.2313 31.9805 178.9246 133 K 3.8756 8.0594 118.6504 59.7371 32.0603 178.7496 134 E 4.0389 8.0789 117.9258 59.3343 29.3442 178.7619 135 Q 4.1549 8.1483 118.1347 59.0096 28.6402 179.5280 136 V 3.6679 7.7362 118.4344 65.5399 31.6161 177.4247 137 R 3.8836 7.9695 118.2745 59.8463 29.7663 178.0818 138 L 4.4000 8.7965 118.4589 57.8199 41.8491 179.5914 139 K 3.9033 7.7247 117.6652 60.1251 32.2385 178.7398 140 H 4.1200 8.5340 118.1648 59.3402 29.4307 176.8027 141 E 3.9653 9.1917 121.9357 58.8310 28.8204 178.3185 142 L 4.1229 8.1441 120.3246 57.3145 42.3086 177.8410 143 E 3.9822 7.7541 117.9045 59.6254 29.7361 179.5604 144 R 3.8419 7.7120 115.0975 58.9987 29.6280 178.0556 145 L 3.9142 7.4346 120.7189 58.2182 41.8205 178.9940 146 Q 4.0025 8.9666 117.9007 58.4289 29.0401 177.4645 147 K 3.9093 8.0540 120.0757 58.3459 32.1889 177.1815 148 Y 4.7678 7.4573 114.9590 58.1378 39.9937 176.7531 149 L 4.6030 7.6448 117.4819 54.5633 42.0398 177.9875 150 S 4.3223 8.1536 116.3270 60.9413 63.0227 175.0473 151 G 3.2859 7.6152 106.7015 44.4289 0.0000 171.7778 152 F 4.9111 8.5074 122.2093 55.7382 38.0629 173.4929 153 R 4.4007 7.3413 120.2155 54.1548 37.7400 181.4873 154 L 2.8076 7.1977 117.0004 54.6225 43.7965 176.0442 155 L 4.4565 8.3117 122.9753 54.2589 43.9223 177.8375 156 K 4.5432 8.4063 126.0236 54.8485 31.6611 176.8401 157 R 4.7322 7.4997 116.3992 54.8148 33.3983 174.1709 158 L 3.6021 8.2361 124.3272 54.2118 42.1803 175.2953 159 P 4.5272 0.0000 0.0000 62.7518 31.9361 176.3616 160 D 4.5991 7.9823 117.9789 54.5407 41.4086 175.9593 161 A 4.7477 7.3293 120.0772 51.9446 22.8100 174.9045 162 I 4.6858 8.0584 111.2909 59.9515 41.2363 173.8626 163 F 5.9394 8.4695 128.5388 56.2427 41.5649 174.4355 164 V 4.7838 8.1309 122.5774 62.0046 35.3205 176.0529 165 V 3.8954 8.4200 122.9078 62.0080 31.9226 179.0650 166 D 4.4554 9.3591 135.0000 53.6045 40.7528 173.5004 167 P 4.1635 0.0000 0.0000 66.4601 30.8585 178.0009 168 T 3.9275 7.3307 109.7145 64.1407 68.3931 175.6252 169 K 4.1325 7.8440 121.2954 58.3429 32.4771 177.2933 170 E 4.5403 8.3220 118.1531 55.5023 30.3072 177.7085 171 A 3.8960 8.0452 123.8530 55.4979 18.0557 180.1621 172 I 3.5657 7.6649 117.5112 64.5346 37.1290 177.9091 173 A 2.5800 7.4182 121.2827 54.6698 17.9433 179.6494 174 V 3.3323 7.1895 115.7178 66.6593 31.6590 177.3876 175 R 3.7458 8.8055 118.4057 59.5718 29.8330 178.0013 176 E 3.9861 8.7234 118.7449 59.3024 29.4987 179.4091 177 A 4.0014 8.2463 120.8010 55.5795 18.4752 179.6391 178 R 3.8894 8.3369 117.1144 59.4685 29.8684 178.6496 179 K 3.7564 7.9818 118.5856 58.5933 32.2377 177.8213 180 L 4.4947 7.4093 116.2668 52.8451 42.5432 175.5899 181 F 3.7389 7.1920 119.6130 57.7650 35.9786 173.6913 182 I 4.4152 8.1663 123.7280 59.2601 40.5288 173.1967 183 P 4.3559 0.0000 0.0000 62.5430 32.3738 175.1875 184 V 4.7636 8.7031 125.6769 61.0734 33.4761 174.4502 185 I 5.2204 8.4335 121.0409 59.3297 40.7228 174.2559 186 A 5.1493 8.7893 123.9636 51.6698 23.3773 175.4382 187 L 5.3983 9.8903 123.4386 53.4797 41.9083 175.4070 188 A 4.9358 8.5767 127.6292 50.1670 21.2380 175.6072 189 D 4.7613 8.0921 120.3081 52.3216 41.7778 176.9005 190 T 2.4863 8.1338 107.3962 63.6380 69.2917 173.6479 191 D 4.7106 7.0368 122.7184 53.5642 41.3877 175.6037 192 S 4.5379 7.2374 111.5224 57.4183 67.0048 173.8375 193 D 4.8599 8.3720 122.4461 50.8177 40.1939 173.8409 194 P 4.0238 0.0000 0.0000 62.7686 30.9220 181.9838 195 D 3.7073 6.8664 117.3098 55.0335 43.4931 176.2786 196 L 4.2904 7.5272 120.4040 56.0007 40.5180 176.8799 197 V 4.3341 7.8780 119.0592 61.9333 33.5780 174.6567 198 D 4.1266 8.6171 128.0417 56.6305 40.9961 176.7313 199 Y 4.2966 8.6776 124.9160 56.3683 39.0697 173.8737 200 I 4.4808 8.1434 125.1710 60.7328 38.3556 176.2743 201 I 4.3917 9.2819 130.6245 58.8330 37.3783 172.0773 202 P 5.2128 0.0000 0.0000 61.8188 31.8329 176.2929 203 G 4.6295 9.3703 119.2656 46.3705 0.0000 171.2259 204 N 3.7309 7.3630 120.0971 51.2892 40.0683 173.7930 205 D 4.8779 8.1943 123.1061 53.2137 40.7269 175.7500 206 D 4.5822 7.7809 118.0600 55.8944 43.0843 176.1325 207 A 4.0604 7.9774 124.3881 52.1782 17.9400 177.6576 208 I 3.7115 8.5105 124.4220 65.3119 36.4774 178.1745 209 R 3.8915 8.0720 118.5717 59.7328 29.9373 178.6662 210 S 4.2787 8.1212 112.1792 61.2780 62.3999 176.0261 211 I 3.6776 7.7772 122.1349 64.6764 36.7668 177.4173 212 Q 3.8988 8.3341 120.3403 59.8989 28.9167 177.8314 213 L 4.0735 7.7359 119.0966 59.2253 41.8042 179.0934 214 I 3.9270 8.1278 121.0633 64.3011 37.6319 177.9419 215 L 4.4491 8.2825 121.3378 58.5006 42.0030 177.6293 216 S 4.9553 9.1932 115.5243 60.1172 61.9724 175.5159 217 R 3.8933 8.2555 121.9617 58.5876 30.5097 178.7622 218 A 4.5476 8.2693 121.2766 55.2422 18.7431 179.7440 219 V 3.5943 7.7664 116.2354 66.2660 31.5178 177.4896 220 D 4.3577 8.2136 118.0882 57.7558 39.7561 178.4791 221 L 3.4891 7.7653 120.3830 58.6055 41.7050 179.3089 222 I 4.0821 7.6349 118.9160 64.0015 37.4062 177.8028 223 I 4.0355 7.9043 120.6146 63.5658 37.0673 177.6635 224 Q 3.9845 8.7403 120.7684 58.1090 30.0352 177.8773 225 A 4.5732 6.7681 123.1378 48.7802 16.0375 175.0647 226 R 4.3385 7.8159 129.4060 54.5719 33.2464 173.4625 227 G 3.8349 7.5696 108.4172 46.0843 0.0000 171.8692 228 G 3.1192 8.7070 115.7840 44.9059 0.0000 174.0109 229 V 3.6468 7.8222 121.0286 63.0272 32.2123 174.9230 230 V 4.4678 7.8886 122.0935 60.2003 34.4591 174.7584 231 E 4.3170 8.5487 119.2877 55.4276 30.7305 173.9269 232 P 4.4069 0.0000 0.0000 62.8338 31.8061 175.5785 233 S 4.6221 8.0716 113.8381 55.5980 64.9378 171.6802 234 P 4.2942 0.0000 0.0000 63.6836 30.2588 175.5855 235 S 4.4335 8.7194 118.0263 59.8001 64.3742 174.4994 236 Y 4.4831 7.8724 117.2041 56.6890 38.8409 174.1481 237 A 4.5826 8.1423 125.1707 53.2640 24.7194 176.8672 238 L 4.5071 7.6293 112.9710 56.0452 41.5676 176.3362 239 V 3.8041 7.9966 120.2561 64.4659 28.6849 174.2352 240 Q 3.5819 8.1362 130.5132 57.4536 29.0278 173.6341 *241 E 4.1630 7.9878 115.9352 56.0700 30.4602 177.4996 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 7 V 8.05 4.00 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 0.96 0.00 0.00 0.90 0.00 0.00 8 K 7.77 3.55 0.00 1.87 1.64 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.42 7.81 9 E 8.18 3.30 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 10 L 7.58 3.75 0.00 1.66 1.66 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.94 3.87 0.00 1.70 1.59 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.13 3.82 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 2.38 2.34 0.00 13 A 8.14 3.40 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 14 G 7.74 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.12 4.56 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 0.69 0.00 0.00 0.84 0.00 0.00 16 H 8.33 5.06 0.00 3.10 3.28 0.00 5.89 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.74 4.78 0.00 3.14 2.92 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 18 G 9.06 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 19 H 8.18 4.83 0.00 3.08 2.61 0.00 5.97 0.00 0.00 0.00 0.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.58 3.96 0.00 1.88 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 2.42 2.29 0.00 21 R 8.15 4.66 0.00 1.97 1.96 0.00 2.97 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 22 K 9.18 3.94 0.00 1.91 1.95 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.32 7.81 23 R 7.71 4.83 0.00 1.69 1.81 0.00 3.25 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 24 W 8.30 5.03 0.00 3.54 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 25 N 8.44 4.35 0.00 2.53 2.55 0.00 0.00 6.68 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 26 P 0.00 2.97 0.00 1.92 1.55 0.00 3.36 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 27 K 8.68 3.90 0.00 1.85 1.83 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.40 7.81 28 F 7.97 4.03 0.00 3.20 3.21 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 29 A 8.23 4.55 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 4.07 0.00 1.79 1.92 0.00 2.63 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 31 Y 6.69 4.74 0.00 1.85 2.58 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 32 I 7.61 4.38 2.14 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 1.37 0.45 1.14 0.00 0.00 33 Y 9.58 4.34 0.00 2.89 3.13 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 34 A 7.24 4.20 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.26 5.02 0.00 1.59 1.68 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 2.04 2.14 0.00 36 R 8.09 4.10 0.00 1.90 1.81 0.00 3.38 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 37 N 9.79 4.07 0.00 2.76 2.79 0.00 0.00 7.30 7.98 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 38 G 7.50 3.63 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 0.00 0.00 0.00 39 I 7.46 3.91 1.81 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 1.31 1.02 0.93 0.00 0.00 40 H 8.40 4.68 0.00 3.34 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.41 3.98 1.99 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 1.04 0.54 0.83 0.00 0.00 42 I 8.20 4.09 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 1.10 0.00 0.00 43 D 9.04 4.61 0.00 3.06 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 44 L 8.58 4.57 0.00 1.75 1.70 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.22 3.89 0.00 2.02 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 46 K 8.70 4.69 0.00 2.17 1.80 0.00 1.88 0.00 0.00 2.06 0.00 0.00 3.25 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.55 7.81 47 T 7.93 3.63 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 1.29 0.00 0.00 48 M 8.73 3.74 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 49 E 7.96 3.94 0.00 2.31 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 2.35 2.55 0.00 50 E 8.04 4.04 0.00 2.04 2.06 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 2.07 1.93 0.00 51 L 8.07 4.02 0.00 2.01 2.09 1.06 1.23 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 52 E 8.91 3.86 0.00 2.09 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 0.00 2.37 2.40 0.00 53 R 6.78 3.91 0.00 2.05 1.98 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 54 T 8.22 3.88 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 0.81 0.00 0.00 55 F 8.53 4.04 0.00 3.07 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 56 R 8.52 4.05 0.00 1.98 2.08 0.00 3.34 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 57 F 7.88 4.32 0.00 2.44 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 58 I 7.69 3.42 2.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.88 0.00 0.00 59 E 9.41 4.11 0.00 2.02 2.22 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 2.29 2.46 0.00 60 D 8.58 4.52 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.47 4.33 0.00 1.19 1.38 0.78 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.93 4.04 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 63 M 7.86 4.43 0.00 2.10 2.16 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 2.46 2.64 0.00 64 R 7.71 4.49 0.00 1.88 1.98 0.00 3.14 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 65 G 8.26 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.86 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 67 T 8.35 4.51 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 68 I 8.44 4.80 2.16 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 1.20 0.50 0.67 0.00 0.00 69 L 8.39 5.10 0.00 1.80 1.62 1.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.34 5.67 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.16 4.99 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 1.03 0.00 0.00 1.09 0.00 0.00 72 G 9.27 4.17 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 0.00 73 T 8.56 4.81 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 74 K 7.59 4.53 0.00 1.96 1.97 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.41 7.81 75 K 8.71 3.94 0.00 1.79 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.43 7.81 76 Q 8.00 4.46 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 77 A 7.94 4.63 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.83 4.08 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.35 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 79 D 7.60 4.10 0.00 2.83 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 80 I 7.98 3.59 1.83 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 1.32 0.56 0.86 0.00 0.00 81 V 7.84 3.48 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.03 0.00 0.00 82 R 8.16 3.61 0.00 1.91 2.06 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 83 M 8.49 4.07 0.00 1.98 2.01 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 2.57 2.81 0.00 84 E 8.01 3.70 0.00 1.78 1.83 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 2.33 2.34 0.00 85 A 7.09 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.12 3.91 0.00 1.86 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 2.30 2.17 0.00 87 R 7.81 4.27 0.00 1.73 1.82 0.00 3.42 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 88 A 8.11 4.22 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 89 G 8.08 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 7.39 4.49 0.00 2.43 1.90 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.90 0.00 91 P 0.00 4.83 0.00 2.20 2.15 0.00 4.05 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 92 Y 8.43 5.97 0.00 3.10 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 93 V 8.26 4.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.21 0.00 0.00 94 N 9.10 5.15 0.00 2.99 2.94 0.00 0.00 7.33 7.08 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 95 Q 7.78 4.61 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 96 R 8.84 4.16 0.00 1.44 1.72 0.00 3.39 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 97 W 8.63 4.14 0.00 3.23 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 98 L 7.48 3.60 0.00 1.03 1.23 0.62 0.55 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 99 G 8.18 3.65 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 0.00 100 G 10.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 6.98 3.97 0.00 1.84 1.41 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 102 L 8.63 4.04 0.00 1.81 1.84 1.48 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.08 4.18 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 1.25 0.00 0.00 104 N 8.80 4.80 0.00 2.64 2.83 0.00 0.00 6.61 7.79 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 0.00 105 F 8.21 4.42 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.24 3.73 0.00 1.89 1.86 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.54 7.81 107 T 7.64 4.54 4.48 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 1.20 0.00 0.00 108 I 8.01 3.82 2.04 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.87 0.77 0.00 0.00 109 S 8.81 3.96 0.00 3.65 3.65 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 0.00 110 Q 7.53 3.87 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 111 R 8.30 3.97 0.00 1.94 1.96 0.00 3.29 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 112 V 8.03 3.62 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 1.04 0.00 0.00 1.06 0.00 0.00 113 H 8.25 4.22 0.00 3.37 3.35 0.00 5.87 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 0.00 114 R 7.78 3.93 0.00 1.88 2.03 0.00 3.16 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 115 L 8.25 4.04 0.00 1.74 1.85 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.21 3.90 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 117 E 8.25 3.92 0.00 2.22 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 2.56 2.50 0.00 118 L 7.54 4.13 0.00 1.78 1.73 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.53 3.93 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 120 A 8.40 4.31 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.27 4.12 0.00 1.85 1.76 0.94 0.77 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 0.00 122 F 8.50 4.61 0.00 3.02 3.27 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 0.00 123 A 7.10 3.92 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 0.00 124 S 7.50 4.50 0.00 3.77 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 0.00 125 P 0.00 4.47 0.00 2.24 2.25 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 126 E 7.91 4.17 0.00 1.99 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 2.32 2.27 0.00 127 I 7.19 3.96 1.82 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 1.26 0.61 0.89 0.00 0.00 128 E 8.04 4.09 0.00 1.97 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 2.32 2.33 0.00 129 E 7.38 4.51 0.00 2.05 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 130 R 8.77 3.94 0.00 1.98 2.00 0.00 3.38 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 131 P 0.00 4.51 0.00 2.26 2.18 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 132 K 8.59 3.94 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 133 K 8.06 3.88 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.49 7.81 134 E 8.08 4.04 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 135 Q 8.15 4.15 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 136 V 7.74 3.67 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 1.05 0.00 0.00 1.02 0.00 0.00 137 R 7.97 3.88 0.00 2.16 1.89 0.00 3.34 0.00 0.00 3.19 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 138 L 8.80 4.40 0.00 1.70 1.72 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.72 3.90 0.00 2.17 1.94 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.69 7.81 140 H 8.53 4.12 0.00 3.47 3.43 0.00 5.80 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 0.00 141 E 9.19 3.97 0.00 2.04 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 2.32 2.35 0.00 142 L 8.14 4.12 0.00 1.78 1.79 0.86 0.68 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 0.00 143 E 7.75 3.98 0.00 2.02 1.91 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 2.60 2.47 0.00 144 R 7.71 3.84 0.00 2.09 2.10 0.00 2.84 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 145 L 7.43 3.91 0.00 2.07 1.85 0.99 0.56 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 0.00 146 Q 8.97 4.00 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 147 K 8.05 3.91 0.00 1.71 1.44 0.00 1.53 0.00 0.00 1.15 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.55 1.13 7.81 148 Y 7.46 4.77 0.00 2.88 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 0.00 149 L 7.64 4.60 0.00 1.73 1.96 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.15 4.32 0.00 3.84 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 0.00 151 G 7.62 3.29 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 0.00 152 F 8.51 4.91 0.00 2.88 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 0.00 153 R 7.34 4.40 0.00 1.80 1.73 0.00 3.28 0.00 0.00 3.25 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.97 0.00 154 L 7.20 2.81 0.00 1.73 1.85 1.08 1.00 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 0.00 155 L 8.31 4.46 0.00 1.64 1.63 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.41 4.54 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 157 R 7.50 4.73 0.00 1.78 1.77 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 158 L 8.24 3.60 0.00 1.55 1.44 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.53 0.00 2.10 2.06 0.00 3.58 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 160 D 7.98 4.60 0.00 2.61 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.33 4.75 1.32 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 0.00 0.00 162 I 8.06 4.69 1.93 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 1.14 0.53 0.97 0.00 0.00 163 F 8.47 5.94 0.00 2.34 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 0.00 164 V 8.13 4.78 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 1.05 0.00 0.00 0.88 0.00 0.00 165 V 8.42 3.90 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 0.62 0.00 0.00 0.89 0.00 0.00 166 D 9.36 4.46 0.00 2.91 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 0.00 167 P 0.00 4.16 0.00 2.28 2.29 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 168 T 7.33 3.93 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 1.21 0.00 0.00 169 K 7.84 4.13 0.00 1.92 1.96 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.62 7.81 170 E 8.32 4.54 0.00 1.85 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 2.11 2.19 0.00 171 A 8.05 3.90 1.32 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 0.00 0.00 172 I 7.66 3.57 1.88 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 1.62 0.41 1.14 0.00 0.00 173 A 7.42 2.58 -0.23 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 0.00 174 V 7.19 3.33 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 0.81 0.00 0.00 175 R 8.81 3.75 0.00 1.94 2.03 0.00 3.19 0.00 0.00 3.15 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 176 E 8.72 3.99 0.00 2.52 2.22 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 2.50 2.68 0.00 177 A 8.25 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.34 3.89 0.00 1.91 1.97 0.00 3.11 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 179 K 7.98 3.76 0.00 1.70 1.87 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.36 7.81 180 L 7.41 4.49 0.00 1.81 1.71 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.19 3.74 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.17 4.42 1.99 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 1.36 0.59 0.96 0.00 0.00 183 P 0.00 4.36 0.00 2.51 2.25 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 184 V 8.70 4.76 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 0.84 0.00 0.00 0.97 0.00 0.00 185 I 8.43 5.22 1.63 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 1.05 0.00 0.00 186 A 8.79 5.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 9.89 5.40 0.00 1.81 1.78 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.58 4.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.09 4.76 0.00 2.82 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 0.00 190 T 8.13 2.49 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 1.41 0.00 0.00 191 D 7.04 4.71 0.00 2.76 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 0.00 192 S 7.24 4.54 0.00 3.77 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 D 8.37 4.86 0.00 2.75 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 0.00 194 P 0.00 4.02 0.00 2.18 2.14 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 195 D 6.87 3.71 0.00 2.70 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 0.00 196 L 7.53 4.29 0.00 1.70 1.72 1.19 0.50 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 0.00 197 V 7.88 4.33 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 0.86 0.00 0.00 1.03 0.00 0.00 198 D 8.62 4.13 0.00 2.67 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 0.00 0.00 0.00 199 Y 8.68 4.30 0.00 2.80 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 0.00 200 I 8.14 4.48 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 1.13 0.00 0.00 201 I 9.28 4.39 2.16 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.96 1.04 0.00 0.00 202 P 0.00 5.21 0.00 2.17 2.05 0.00 3.85 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.55 0.00 203 G 9.37 4.63 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 0.00 0.00 0.00 204 N 7.36 3.73 0.00 2.72 2.72 0.00 0.00 6.87 8.47 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 0.00 205 D 8.19 4.88 0.00 2.77 2.85 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 0.00 206 D 7.78 4.58 0.00 2.79 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 0.00 207 A 7.98 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 0.00 208 I 8.51 3.71 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.66 0.86 0.00 0.00 209 R 8.07 3.89 0.00 1.79 1.94 0.00 3.26 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 210 S 8.12 4.28 0.00 4.02 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 0.00 211 I 7.78 3.68 1.97 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 1.51 0.60 0.88 0.00 0.00 212 Q 8.33 3.90 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 213 L 7.74 4.07 0.00 1.76 1.80 0.71 1.00 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 0.00 214 I 8.13 3.93 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.04 1.19 0.00 0.00 215 L 8.28 4.45 0.00 2.01 1.79 1.08 0.29 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 0.00 216 S 9.19 4.96 0.00 4.04 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 0.00 217 R 8.26 3.89 0.00 1.87 1.83 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 218 A 8.27 4.55 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 0.00 0.00 0.00 0.00 0.00 219 V 7.77 3.59 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 1.07 0.00 0.00 0.96 0.00 0.00 220 D 8.21 4.36 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 L 7.77 3.49 0.00 1.83 2.01 0.98 1.00 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 0.00 222 I 7.63 4.08 2.12 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.08 0.96 0.00 0.00 223 I 7.90 4.04 1.98 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 1.40 1.20 0.90 0.00 0.00 224 Q 8.74 3.98 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.29 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 225 A 6.77 4.57 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 0.00 226 R 7.82 4.34 0.00 1.74 2.07 0.00 3.24 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 227 G 7.57 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.71 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 0.00 0.00 0.00 229 V 7.82 3.65 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 0.00 230 V 7.89 4.47 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 0.86 0.00 0.00 0.92 0.00 0.00 231 E 8.55 4.32 0.00 2.07 1.95 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 2.25 2.32 0.00 232 P 0.00 4.41 0.00 2.10 2.10 0.00 3.66 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 2.05 2.09 0.00 233 S 8.07 4.62 0.00 3.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 P 0.00 4.29 0.00 2.20 2.18 0.00 3.73 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 1.97 1.96 0.00 235 S 8.72 4.43 0.00 3.68 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 0.00 236 Y 7.87 4.48 0.00 2.92 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 0.00 237 A 8.14 4.58 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 0.00 238 L 7.63 4.51 0.00 1.72 1.70 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 239 V 8.00 3.80 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 0.62 0.00 0.00 0.74 0.00 0.00 240 Q 8.14 3.58 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 *241 E 7.99 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.