NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0132 8.0393 120.3834 62.8752 32.6784 175.7311 8 K 3.9915 8.0963 119.5301 58.5918 33.5358 177.2338 9 E 4.2997 7.2586 117.4482 60.2152 31.9542 180.6074 10 L 3.9988 7.6579 117.4239 58.3009 42.2338 179.7002 11 L 4.3807 7.5799 113.6908 55.9498 41.2681 178.3913 12 E 3.9808 8.2865 120.2754 58.7883 30.0058 177.8954 13 A 4.1356 7.7136 119.3158 52.1123 18.7860 179.1776 14 G 3.8724 7.6558 103.5281 46.7856 0.0000 175.3572 15 V 3.6236 9.1523 111.6403 61.6690 27.3541 170.7398 16 H 5.4028 7.6023 112.9366 55.5273 33.8762 174.2996 17 F 4.7964 8.1089 114.6504 55.8026 38.9808 174.8304 18 G 4.2912 8.6292 109.5849 44.9934 0.0000 172.2189 19 H 4.7097 8.3799 116.7482 56.4857 35.5731 171.8139 20 E 4.1219 8.1126 114.8518 54.4324 30.4565 177.3160 21 R 4.4075 8.3825 118.3245 55.6460 31.7299 173.4611 22 K 3.9174 8.6993 121.0631 57.6395 31.7578 177.5219 23 R 4.1808 7.7178 122.5058 55.7698 29.4226 175.7559 24 W 5.2712 7.9553 114.7752 54.7293 31.2917 175.8090 25 N 4.5047 7.7329 112.6261 53.1326 38.0359 174.2637 26 P 2.0000 0.0000 0.0000 63.7439 33.7370 178.0639 27 K 3.7298 7.6035 118.0502 59.3925 32.4616 177.9792 28 F 4.0240 7.7710 119.1766 58.1537 37.3212 173.3815 29 A 4.6618 7.3727 127.8977 53.7507 20.8919 179.4957 30 R 3.9013 7.6199 110.3158 58.6886 29.3810 176.2698 31 Y 4.9032 6.8593 116.1309 57.7695 38.4203 175.0517 32 I 4.8750 7.9345 118.3221 59.5000 41.4466 173.5210 33 Y 4.9336 8.6768 124.2165 59.0541 41.0877 174.5653 34 A 4.3948 8.1212 120.1595 52.6105 22.0202 177.1221 35 E 5.2566 8.1058 117.0785 57.0956 30.2693 175.9754 36 R 3.8742 7.8468 116.0493 56.9895 30.5089 176.1280 37 N 4.0532 9.2489 118.0385 54.5706 35.2710 174.8991 38 G 3.9514 7.6045 109.3254 45.6484 0.0000 174.2488 39 I 3.4290 6.9837 119.2949 59.8409 38.3135 174.8400 40 H 4.8804 8.7177 121.6415 55.0298 29.5644 175.1199 41 I 4.2286 8.6607 126.7204 60.2937 36.1016 175.0645 42 I 4.0688 8.3101 126.2794 61.3470 38.7733 174.9933 43 D 4.1694 9.2007 128.0220 54.6627 40.2583 176.0261 44 L 3.5999 8.7489 122.4529 57.8342 43.0187 179.3953 45 Q 3.8999 8.3432 118.6547 59.8953 29.4960 179.4142 46 K 4.8830 8.8106 121.9195 59.8760 32.1088 178.2108 47 T 3.7811 8.1903 115.7284 67.4460 68.3660 175.6361 48 M 3.7299 8.1125 118.5970 59.1963 30.9736 177.8943 49 E 3.8408 7.9490 116.6518 59.9260 29.8732 179.5311 50 E 4.1868 8.3522 117.7639 58.2713 29.5042 179.2241 51 L 4.1837 8.6614 120.5770 57.7435 41.7668 178.5934 52 E 4.0340 8.2799 116.2258 57.9166 29.8216 177.3968 53 R 4.4068 7.3914 118.0136 59.5299 31.0536 178.1291 54 T 4.1767 8.5757 115.8473 66.7096 68.5219 176.9850 55 F 4.0991 9.1063 120.3012 60.2206 38.8815 177.8982 56 R 4.0225 7.7984 117.6479 59.1860 29.7907 178.6893 57 F 4.2194 8.1334 120.3262 61.7554 39.2267 176.8119 58 I 3.5350 7.6069 119.2642 63.5172 36.7991 177.4685 59 E 3.8870 8.4681 121.6474 60.0177 29.7742 177.9138 60 D 4.2755 8.4067 118.4623 54.7430 40.8010 177.2791 61 L 3.6818 7.5811 123.4152 58.0775 42.6702 179.0487 62 A 3.9544 8.2159 121.5216 55.0039 18.2946 178.9581 63 M 4.2490 8.1870 112.6399 56.6947 31.3482 176.8924 64 R 4.4312 7.6581 115.5369 55.8995 29.8391 176.8495 65 G 3.7586 8.3179 105.3468 46.0995 0.0000 174.3535 66 G 4.2238 8.1056 107.5906 46.3387 0.0000 174.0690 67 T 4.3573 8.5455 117.4871 61.3776 70.2859 173.5625 68 I 5.1104 8.2842 122.7359 59.5407 41.6631 174.3275 69 L 5.1855 8.2303 126.0920 53.6737 44.8872 175.2941 70 F 5.0769 9.9038 125.8060 56.6852 41.0940 175.0163 71 V 4.8314 9.2749 122.4305 61.2379 34.4804 174.4980 72 G 4.4456 8.6287 112.6532 45.9715 0.0000 173.0649 73 T 4.4550 8.5827 112.2735 62.7120 71.0466 173.6207 74 K 3.7224 8.1384 124.8840 56.2062 32.2936 175.8164 75 K 4.4026 8.3453 127.8171 55.9974 29.8932 174.7480 76 Q 4.7318 7.5818 116.9763 56.2942 36.7542 175.1900 77 A 4.7339 8.5159 120.1173 51.9758 20.0104 176.9463 78 Q 4.2274 8.1143 120.7141 60.1595 30.2221 177.2038 79 D 4.2953 8.1599 117.1602 57.6456 41.3013 178.8005 80 I 3.7464 7.8699 117.8742 64.7794 37.5458 176.3775 81 V 3.5864 8.1085 119.0280 64.8327 30.7655 178.1006 82 R 3.0964 7.1078 120.4178 60.1451 31.1780 177.8107 83 M 4.0362 7.7950 117.5514 58.4148 31.0812 178.3565 84 E 4.1940 8.5510 119.1169 59.3443 29.9282 179.3695 85 A 3.8077 8.7687 121.0882 53.7718 18.6362 178.3473 86 E 4.6226 8.4325 115.8604 56.4682 30.7302 177.5303 87 R 4.1362 7.3447 118.2723 57.9847 30.1109 176.3105 88 A 4.4838 7.8031 117.1865 51.6928 21.1163 176.5811 89 G 3.8531 8.3176 102.6646 46.2889 0.0000 172.7405 90 M 4.5345 7.6060 118.8865 52.8726 33.5277 174.9158 91 P 4.4941 0.0000 0.0000 63.9974 32.6019 174.8421 92 Y 6.0580 8.7827 122.3269 54.7469 41.4257 174.9053 93 V 4.7535 8.5083 110.6273 60.7096 35.4999 175.4646 94 N 5.3910 8.9713 120.1189 52.6622 42.6631 175.7876 95 Q 3.9957 8.8065 116.2535 57.0332 27.2173 177.6805 96 R 4.5136 8.8512 125.2484 54.4774 33.3557 175.7115 97 W 4.2363 8.8059 135.0000 56.5304 28.7737 174.5101 98 L 3.7966 7.6788 121.0154 54.3242 42.0856 177.3977 99 G 3.7173 8.3993 111.5004 46.8779 0.0000 173.8260 100 G 3.9248 9.8502 111.5113 45.9230 0.0000 175.2496 101 M 4.1035 6.8654 118.6062 58.4422 32.2509 178.9339 102 L 4.0573 7.9016 118.2762 58.0165 41.9132 178.4174 103 T 3.9164 8.6267 114.7328 65.9171 69.1864 174.9707 104 N 4.9464 8.5230 119.6283 52.7953 39.1437 176.5239 105 F 4.8178 8.2803 120.6944 61.3045 39.0161 176.1927 106 K 3.9704 7.5362 117.7024 59.5981 32.7792 178.5233 107 T 3.8871 7.7132 115.7572 65.9582 68.7184 176.4408 108 I 3.9338 7.5226 121.4914 64.1393 37.2020 178.1896 109 S 3.8861 8.2431 116.4082 61.6946 62.4217 176.2514 110 Q 4.1768 7.4426 118.0429 57.1788 28.0654 178.2393 111 R 4.1389 7.9839 120.3778 58.6327 30.8121 178.6284 112 V 3.6781 7.4904 117.4647 66.4112 31.0906 177.2468 113 H 4.7604 8.0728 119.2819 58.7847 28.2316 177.0152 114 R 4.9370 7.5527 120.2592 58.3763 29.7574 178.2943 115 L 3.9252 8.2553 121.1186 57.8976 42.1980 179.6039 116 E 4.4655 7.5146 112.4593 56.8960 29.7179 177.8156 117 E 4.5749 8.6876 120.0775 56.3776 32.0829 177.3370 118 L 4.6092 7.3003 117.3432 54.8105 42.5302 177.7508 119 E 4.2236 8.0440 119.2312 58.5055 29.8016 177.7438 120 A 4.0266 7.8550 119.4151 55.0517 18.8335 179.0352 121 L 4.6588 7.5998 118.2344 57.9781 42.1606 177.7478 122 F 4.5035 7.7771 120.4757 60.0309 40.6124 175.7795 123 A 3.5739 7.9715 124.6197 49.4659 16.6240 176.9394 124 S 4.6723 6.7093 116.7618 56.6830 64.0459 175.6950 125 P 4.7855 0.0000 0.0000 63.2428 30.8052 177.9543 126 E 3.9476 8.3628 120.2901 59.4247 29.6314 178.4204 127 I 4.2514 7.1975 118.3136 61.4073 36.8342 176.5788 128 E 3.3854 7.3799 116.1733 60.8818 31.2794 179.9891 129 E 4.0039 8.8697 120.8198 56.2808 28.8289 177.9351 130 R 3.6373 9.4140 135.0000 55.7842 27.9661 173.9028 131 P 4.3535 0.0000 0.0000 62.6507 31.4621 176.7433 132 K 4.2291 8.4248 119.4233 58.5274 32.0080 177.5803 133 K 4.1684 7.3196 119.1639 58.9748 32.2896 177.7417 134 E 4.1263 7.9770 116.1191 57.8452 29.3147 178.8351 135 Q 3.9550 8.0730 121.6467 59.3382 29.2776 178.1442 136 V 3.6754 7.7202 118.3571 65.7648 31.3248 177.0508 137 R 4.1201 7.9188 118.8794 59.2472 30.0194 177.8907 138 L 4.0966 7.9142 119.5101 56.9186 41.7615 180.1736 139 K 3.8943 7.7675 118.3594 59.7684 31.9898 178.9422 140 H 4.3757 8.7835 117.8253 58.9916 29.9127 175.9573 141 E 3.8273 9.9741 122.8846 56.8823 28.8130 179.7568 142 L 3.5960 7.3455 119.2196 58.7688 43.7337 178.1799 143 E 3.5215 8.1088 116.6096 59.5061 29.2181 179.7625 144 R 3.4653 8.4908 115.8970 59.2592 29.5606 178.6844 145 L 3.9999 7.8564 118.4381 58.4064 41.8414 178.6721 146 Q 3.9578 9.9185 119.3251 58.1275 28.6143 178.4758 147 K 4.0957 8.5865 123.3218 59.5793 32.7813 177.4105 148 Y 4.6308 7.8616 114.7501 59.3871 38.4273 176.2936 149 L 4.7512 8.1777 118.4990 54.6422 42.5042 178.5098 150 S 3.4898 7.9212 108.7144 62.3078 63.1665 175.9807 151 G 2.6560 8.2719 107.8010 46.3810 0.0000 174.8316 152 F 4.7528 8.7503 124.6857 60.0476 40.1838 178.1373 153 R 3.7479 7.5730 117.5441 59.2563 31.2766 177.9989 154 L 3.8179 7.8689 113.1311 56.6061 40.5586 178.1079 155 L 3.7529 8.4961 127.4670 55.8591 42.4422 175.5263 156 K 4.8257 8.6951 124.4962 56.0242 33.3782 176.2606 157 R 4.5192 7.5764 119.6052 55.5481 31.7087 173.1976 158 L 4.3872 8.3714 116.4982 52.2099 43.2338 174.4520 159 P 4.3299 0.0000 0.0000 63.4153 32.0782 175.7541 160 D 4.8147 8.7623 118.7522 54.8037 42.0015 175.6741 161 A 4.9725 7.3858 119.4399 51.6254 22.7745 174.8087 162 I 4.8515 8.0670 111.7066 59.3986 41.6230 174.2706 163 F 5.7384 8.5799 126.9183 56.0261 41.2413 173.9525 164 V 4.8779 7.5133 126.0044 60.6141 33.5566 176.6974 165 V 3.4647 8.4430 121.0532 63.8771 32.2328 176.0936 166 D 4.8014 7.7365 120.6001 51.3269 43.4650 174.0427 167 P 4.1507 0.0000 0.0000 65.8896 31.0444 177.7494 168 T 4.0505 7.4663 109.8398 63.2234 69.3591 176.4757 169 K 4.0444 7.8337 124.6614 58.0324 32.7366 177.3920 170 E 4.4565 7.8105 117.1687 55.7224 30.0930 177.2005 171 A 4.2261 8.2702 121.6234 52.8614 18.0778 180.0651 172 I 3.5950 7.2386 119.1024 64.1335 37.1925 178.0048 173 A 2.7387 6.7746 120.6965 54.8615 18.2910 179.3790 174 V 3.3407 7.0238 116.4114 66.3565 31.3477 177.9302 175 R 4.0130 7.5820 117.7016 58.6035 29.8486 178.2421 176 E 4.0319 8.0117 117.9824 59.0343 29.7813 178.8401 177 A 4.1452 9.7035 120.7539 55.2382 18.4376 179.6799 178 R 3.9735 7.7675 116.7619 59.2060 29.8383 178.0736 179 K 4.0419 7.5371 117.2851 57.5949 32.4903 176.8843 180 L 4.7654 7.8175 118.6246 54.4322 42.6777 176.4642 181 F 3.8780 7.0808 114.7266 58.4473 37.0330 176.1416 182 I 4.2543 7.2059 121.3076 59.3810 36.2997 173.6168 183 P 4.3487 0.0000 0.0000 62.3208 32.4550 175.2411 184 V 4.2525 10.4704 125.5241 61.5674 33.3089 174.4866 185 I 5.3485 9.3020 129.2054 58.9181 39.6174 174.5183 186 A 4.4364 8.1819 127.8631 49.6083 22.9539 174.6349 187 L 4.0735 8.4875 123.3938 55.6541 41.4693 176.0069 188 A 4.9380 8.6992 128.8345 50.5793 22.1691 175.6463 189 D 4.0870 7.7761 117.6984 52.8206 41.6755 177.2463 190 T 3.7579 7.8432 110.8320 62.5244 68.3657 175.2520 191 D 4.5298 7.8286 123.9146 55.7352 42.8614 175.7616 192 S 4.7128 7.4382 114.6722 57.0697 65.5388 172.2413 193 D 5.0433 8.3496 121.1772 51.5357 41.5437 173.7139 194 P 4.1839 0.0000 0.0000 64.8593 31.8090 181.9737 195 D 3.5841 6.7089 116.0716 53.7650 42.9556 176.2590 196 L 4.2420 7.8047 124.5078 55.9999 40.8417 178.9644 197 V 4.2132 7.4815 119.8557 61.8661 32.3310 173.5252 198 D 4.2593 8.6490 126.8627 57.0619 41.7879 176.3041 199 Y 4.4127 8.5022 115.4760 56.3500 41.2907 174.2737 200 I 4.3693 8.3243 125.3784 60.3600 38.6127 177.0458 201 I 4.3854 8.1922 129.1315 58.2674 36.3891 171.0062 202 P 5.3272 0.0000 0.0000 63.2529 30.6527 176.1330 203 G 4.2344 10.0868 113.4819 45.6150 0.0000 169.6320 204 N 4.6683 8.3204 120.1351 53.0419 39.3968 174.4649 205 D 4.9172 8.6217 124.0544 53.3411 39.9299 176.0410 206 D 4.6832 9.6555 118.4687 56.5705 42.4399 177.3729 207 A 3.9973 7.8222 122.6012 52.2646 19.1515 177.6620 208 I 3.5826 8.5539 126.2012 65.6825 37.1407 177.6794 209 R 3.7335 8.1413 117.1799 60.1563 29.2380 178.6280 210 S 4.3461 7.8814 113.5651 61.8817 62.9314 176.7144 211 I 3.7332 7.8794 122.4904 64.5914 36.8264 178.2224 212 Q 3.9754 8.4331 120.2831 59.1128 28.8895 177.5282 213 L 3.9953 8.0677 119.6505 57.4157 42.1059 177.8666 214 I 4.3928 7.3057 116.9140 63.2083 38.2079 176.7575 215 L 4.6560 7.4018 116.9751 55.3560 41.9428 177.5911 216 S 4.1968 8.8439 116.1112 60.2557 62.5595 175.2730 217 R 5.0342 8.5059 120.3710 57.6743 30.8413 178.6891 218 A 4.1613 7.9478 121.1518 55.5665 18.0356 179.5479 219 V 3.7095 7.4859 115.5520 64.5290 31.4775 177.8070 220 D 4.3518 7.6992 117.8844 56.4150 39.4644 178.6050 221 L 3.8989 7.4418 120.6226 58.0946 42.3738 178.9223 222 I 3.8933 8.4232 119.9773 64.3424 37.1807 178.4306 223 I 3.8886 7.6932 112.8795 63.0967 37.3926 177.7385 224 Q 4.0017 8.5976 122.1008 58.3536 30.1514 177.0806 225 A 4.3745 7.0566 123.5198 48.8997 17.1305 175.8164 226 R 4.7838 8.1276 129.9835 55.6503 32.0167 174.7837 227 G 4.1366 7.7406 106.5982 43.8536 0.0000 172.0534 228 G 4.8478 7.3259 122.9249 46.4214 0.0000 170.0872 229 V 3.9495 7.8214 130.3175 63.8886 31.7894 176.2941 230 V 3.5610 7.4211 111.0071 59.5491 32.8421 175.9695 231 E 4.3528 8.3287 119.8834 54.6259 30.7584 174.6311 232 P 4.2886 0.0000 0.0000 63.2524 32.0726 175.3428 233 S 4.7986 8.0200 113.7391 55.6107 65.7190 169.7598 234 P 4.7998 0.0000 0.0000 62.5165 29.9186 175.5350 235 S 4.4360 8.2296 114.9386 59.8410 64.6434 175.0688 236 Y 4.0447 8.2927 119.6097 57.0768 39.7471 173.9610 237 A 4.3470 9.2180 127.4431 52.1411 19.0643 177.5590 238 L 4.6855 8.7414 118.0976 53.9215 41.5693 178.9678 239 V 3.6235 7.7031 119.5331 65.3301 30.1731 174.3830 240 Q 3.7009 8.5851 130.6322 57.1987 27.3833 174.5045 *241 E 4.1515 8.0029 115.7725 56.1131 30.4602 177.4982 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 8.04 4.01 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 1.00 0.00 0.00 0.91 0.00 0.00 8 K 8.10 3.99 0.00 2.22 1.95 0.00 1.49 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.42 7.81 9 E 7.26 4.30 0.00 2.04 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 2.37 2.28 0.00 10 L 7.66 4.00 0.00 1.69 1.69 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.58 4.38 0.00 1.69 1.66 0.94 0.98 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 12 E 8.29 3.98 0.00 2.31 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 2.29 2.21 0.00 13 A 7.71 4.14 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 14 G 7.66 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.15 3.62 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.76 0.00 0.00 16 H 7.60 5.40 0.00 3.33 3.30 0.00 6.08 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.11 4.80 0.00 3.13 3.09 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 18 G 8.63 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 19 H 8.38 4.71 0.00 3.18 2.98 0.00 5.73 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.11 4.12 0.00 1.98 1.84 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 2.02 2.17 0.00 21 R 8.38 4.41 0.00 1.78 1.84 0.00 3.08 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 22 K 8.70 3.92 0.00 1.94 1.90 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.46 7.81 23 R 7.72 4.18 0.00 1.79 1.94 0.00 3.22 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 24 W 7.96 5.27 0.00 3.43 2.82 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 25 N 7.73 4.50 0.00 2.51 2.62 0.00 0.00 6.71 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 2.00 0.00 1.73 1.35 0.00 3.13 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 27 K 7.60 3.73 0.00 1.60 1.78 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 28 F 7.77 4.02 0.00 3.09 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 29 A 7.37 4.66 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 30 R 7.62 3.90 0.00 1.90 1.99 0.00 2.81 0.00 0.00 2.97 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.85 0.00 31 Y 6.86 4.90 0.00 1.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.93 4.88 2.11 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 1.05 0.00 0.00 33 Y 8.68 4.93 0.00 2.91 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.12 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.11 5.26 0.00 1.68 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.56 0.00 36 R 7.85 3.87 0.00 1.70 1.77 0.00 3.26 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 37 N 9.25 4.05 0.00 2.82 2.89 0.00 0.00 7.04 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.60 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 39 I 6.98 3.43 1.81 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 1.41 0.69 0.98 0.00 0.00 40 H 8.72 4.88 0.00 3.35 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.66 4.23 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.30 0.85 0.00 0.00 42 I 8.31 4.07 2.08 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.28 1.15 0.00 0.00 43 D 9.20 4.17 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.75 3.60 0.00 1.84 1.69 1.15 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.34 3.90 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 2.85 2.43 0.00 46 K 8.81 4.88 0.00 2.21 1.96 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.52 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.27 7.81 47 T 8.19 3.78 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 1.29 0.00 0.00 48 M 8.11 3.73 0.00 2.23 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 7.95 3.84 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 50 E 8.35 4.19 0.00 2.01 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 2.36 1.97 0.00 51 L 8.66 4.18 0.00 1.93 2.07 1.05 0.34 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 52 E 8.28 4.03 0.00 2.00 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 2.34 2.40 0.00 53 R 7.39 4.41 0.00 2.33 2.08 0.00 3.33 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 54 T 8.58 4.18 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 1.18 0.00 0.00 55 F 9.11 4.10 0.00 3.37 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 56 R 7.80 4.02 0.00 2.25 2.08 0.00 3.35 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 57 F 8.13 4.22 0.00 2.84 2.82 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 58 I 7.61 3.54 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.35 0.77 0.00 0.00 59 E 8.47 3.89 0.00 2.08 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 2.35 2.37 0.00 60 D 8.41 4.28 0.00 2.98 2.46 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 61 L 7.58 3.68 0.00 0.94 1.17 0.81 1.17 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 62 A 8.22 3.95 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 63 M 8.19 4.25 0.00 2.08 2.18 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 2.64 0.00 64 R 7.66 4.43 0.00 1.87 1.98 0.00 3.07 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 65 G 8.32 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.11 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.55 4.36 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 68 I 8.28 5.11 2.07 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.89 0.74 0.00 0.00 69 L 8.23 5.19 0.00 1.95 1.60 1.22 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.90 5.08 0.00 3.19 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 9.27 4.83 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 0.98 0.00 0.00 1.10 0.00 0.00 72 G 8.63 4.45 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 0.00 0.00 0.00 73 T 8.58 4.45 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 1.45 0.00 0.00 74 K 8.14 3.72 0.00 1.92 2.07 0.00 1.51 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.41 7.81 75 K 8.35 4.40 0.00 1.74 1.81 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.37 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.59 1.43 7.81 76 Q 7.58 4.73 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 77 A 8.52 4.73 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 78 Q 8.11 4.23 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 79 D 8.16 4.30 0.00 2.72 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 80 I 7.87 3.75 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 1.55 1.35 0.91 0.00 0.00 81 V 8.11 3.59 2.30 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 0.91 0.00 0.00 1.01 0.00 0.00 82 R 7.11 3.10 0.00 1.54 1.86 0.00 3.28 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 1.88 1.55 0.00 83 M 7.79 4.04 0.00 2.18 1.97 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 2.73 2.71 0.00 84 E 8.55 4.19 0.00 1.95 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 2.52 2.49 0.00 85 A 8.77 3.81 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 86 E 8.43 4.62 0.00 2.05 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 2.38 2.69 0.00 87 R 7.34 4.14 0.00 1.98 1.91 0.00 3.18 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 88 A 7.80 4.48 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 89 G 8.32 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 90 M 7.61 4.53 0.00 2.39 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 91 P 0.00 4.49 0.00 2.22 2.20 0.00 4.02 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 2.19 2.19 0.00 92 Y 8.78 6.06 0.00 2.88 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 93 V 8.51 4.75 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 0.70 0.00 0.00 1.27 0.00 0.00 94 N 8.97 5.39 0.00 2.69 2.81 0.00 0.00 7.32 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.81 4.00 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.84 0.00 96 R 8.85 4.51 0.00 1.48 1.73 0.00 3.30 0.00 0.00 2.94 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 97 W 8.81 4.24 0.00 3.21 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 7.68 3.80 0.00 1.46 1.46 0.80 0.79 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 99 G 8.40 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 0.00 100 G 9.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 6.87 4.10 0.00 1.87 0.88 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 102 L 7.90 4.06 0.00 2.03 1.84 1.32 1.04 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 0.00 103 T 8.63 3.92 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 1.28 0.00 0.00 104 N 8.52 4.95 0.00 2.81 2.85 0.00 0.00 6.96 8.28 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 0.00 105 F 8.28 4.82 0.00 3.35 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 0.00 106 K 7.54 3.97 0.00 1.84 1.73 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 107 T 7.71 3.89 4.54 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 1.19 0.00 0.00 108 I 7.52 3.93 2.07 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 1.76 0.96 1.18 0.00 0.00 109 S 8.24 3.89 0.00 3.58 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.44 4.18 0.00 1.89 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 111 R 7.98 4.14 0.00 1.94 2.02 0.00 3.35 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 112 V 7.49 3.68 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.80 0.00 0.00 113 H 8.07 4.76 0.00 3.23 3.27 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.55 4.94 0.00 2.27 2.00 0.00 3.49 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 115 L 8.26 3.93 0.00 1.90 1.86 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.51 4.47 0.00 2.27 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 2.45 2.32 0.00 117 E 8.69 4.57 0.00 2.08 1.92 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 2.07 2.30 0.00 118 L 7.30 4.61 0.00 1.80 1.68 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.04 4.22 0.00 2.30 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 2.40 2.56 0.00 120 A 7.86 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.60 4.66 0.00 1.67 2.01 0.94 0.99 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 0.00 122 F 7.78 4.50 0.00 3.26 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.97 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 6.71 4.67 0.00 3.83 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 0.00 125 P 0.00 4.79 0.00 2.23 2.21 0.00 3.70 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 2.04 1.95 0.00 126 E 8.36 3.95 0.00 2.05 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 2.26 0.00 127 I 7.20 4.25 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.94 0.00 0.00 128 E 7.38 3.39 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 129 E 8.87 4.00 0.00 2.00 1.44 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 0.00 2.31 2.28 0.00 130 R 9.41 3.64 0.00 1.96 1.99 0.00 3.58 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 131 P 0.00 4.35 0.00 2.17 2.09 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 132 K 8.42 4.23 0.00 1.74 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.47 7.81 133 K 7.32 4.17 0.00 1.83 1.70 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.40 7.81 134 E 7.98 4.13 0.00 1.98 1.99 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 2.41 2.32 0.00 135 Q 8.07 3.96 0.00 2.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 136 V 7.72 3.68 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 137 R 7.92 4.12 0.00 1.92 1.92 0.00 3.42 0.00 0.00 3.35 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 138 L 7.91 4.10 0.00 1.77 1.73 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.77 3.89 0.00 2.00 1.83 0.00 1.62 0.00 0.00 1.50 0.00 0.00 3.04 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.49 1.62 7.81 140 H 8.78 4.38 0.00 3.06 3.55 0.00 5.95 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 9.97 3.83 0.00 1.99 1.85 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 2.29 2.31 0.00 142 L 7.35 3.60 0.00 1.79 1.79 0.84 0.84 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 0.00 143 E 8.11 3.52 0.00 2.08 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 2.48 2.47 0.00 144 R 8.49 3.47 0.00 1.96 2.02 0.00 2.83 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 1.64 1.67 0.00 145 L 7.86 4.00 0.00 1.76 1.81 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 9.92 3.96 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 147 K 8.59 4.10 0.00 1.51 1.47 0.00 1.51 0.00 0.00 0.78 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.74 1.22 7.81 148 Y 7.86 4.63 0.00 3.03 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 0.00 149 L 8.18 4.75 0.00 1.91 1.84 1.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.92 3.49 0.00 4.23 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 0.00 151 G 8.27 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.75 4.75 0.00 2.94 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 7.57 3.75 0.00 1.86 2.01 0.00 3.24 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 154 L 7.87 3.82 0.00 1.61 1.48 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.50 3.75 0.00 1.66 1.68 0.72 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.70 4.83 0.00 1.77 1.79 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.75 7.81 157 R 7.58 4.52 0.00 1.74 1.73 0.00 3.23 0.00 0.00 3.25 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 158 L 8.37 4.39 0.00 1.63 1.55 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.33 0.00 2.07 2.14 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 160 D 8.76 4.81 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.39 4.97 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 0.00 0.00 162 I 8.07 4.85 1.87 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 1.25 1.13 0.98 0.00 0.00 163 F 8.58 5.74 0.00 2.00 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 0.00 0.00 0.00 0.00 164 V 7.51 4.88 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 1.02 0.00 0.00 0.76 0.00 0.00 165 V 8.44 3.46 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 0.71 0.00 0.00 0.94 0.00 0.00 166 D 7.74 4.80 0.00 2.60 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.15 0.00 2.18 2.24 0.00 3.66 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 2.00 1.93 0.00 168 T 7.47 4.05 4.18 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 1.15 0.00 0.00 169 K 7.83 4.04 0.00 1.71 1.91 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.47 7.81 170 E 7.81 4.46 0.00 2.04 1.61 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 2.01 1.98 0.00 171 A 8.27 4.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.24 3.60 1.62 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 1.60 0.46 1.07 0.00 0.00 173 A 6.77 2.74 -0.11 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 0.00 174 V 7.02 3.34 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 0.89 0.00 0.00 0.80 0.00 0.00 175 R 7.58 4.01 0.00 1.81 2.05 0.00 3.28 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 176 E 8.01 4.03 0.00 2.08 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 0.00 2.49 2.64 0.00 177 A 9.70 4.15 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 0.00 178 R 7.77 3.97 0.00 2.19 1.83 0.00 3.09 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 179 K 7.54 4.04 0.00 2.02 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.40 7.81 180 L 7.82 4.77 0.00 1.78 1.66 1.08 1.16 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 F 7.08 3.88 0.00 3.15 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 0.00 182 I 7.21 4.25 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 1.03 0.00 0.00 183 P 0.00 4.35 0.00 2.39 2.22 0.00 3.92 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 2.40 2.28 0.00 184 V 10.47 4.25 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 0.98 0.00 0.00 1.01 0.00 0.00 185 I 9.30 5.35 2.22 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 1.21 2.20 1.16 0.00 0.00 186 A 8.18 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 8.49 4.07 0.00 1.33 1.73 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.70 4.94 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 0.00 189 D 7.78 4.09 0.00 2.60 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 0.00 190 T 7.84 3.76 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 191 D 7.83 4.53 0.00 2.87 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 0.00 192 S 7.44 4.71 0.00 3.78 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 0.00 193 D 8.35 5.04 0.00 2.66 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 0.00 194 P 0.00 4.18 0.00 2.20 2.10 0.00 3.60 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 1.92 1.60 0.00 195 D 6.71 3.58 0.00 2.81 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 0.00 196 L 7.80 4.24 0.00 1.66 1.70 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.48 4.21 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 0.86 0.00 0.00 1.04 0.00 0.00 198 D 8.65 4.26 0.00 2.56 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 Y 8.50 4.41 0.00 2.90 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 0.00 200 I 8.32 4.37 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 1.57 0.49 1.18 0.00 0.00 201 I 8.19 4.39 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 1.30 1.38 1.01 0.00 0.00 202 P 0.00 5.33 0.00 2.11 1.81 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.64 0.00 203 G 10.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 N 8.32 4.67 0.00 3.02 2.89 0.00 0.00 7.03 8.35 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 0.00 205 D 8.62 4.92 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 D 9.66 4.68 0.00 2.70 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 0.00 207 A 7.82 4.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 I 8.55 3.58 1.83 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 1.90 0.56 0.84 0.00 0.00 209 R 8.14 3.73 0.00 1.69 1.78 0.00 3.19 0.00 0.00 3.29 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 210 S 7.88 4.35 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 I 7.88 3.73 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 0.87 0.93 0.00 0.00 212 Q 8.43 3.98 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 213 L 8.07 4.00 0.00 1.71 1.79 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 214 I 7.31 4.39 2.22 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 1.89 1.09 1.16 0.00 0.00 215 L 7.40 4.66 0.00 1.82 1.79 1.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 216 S 8.84 4.20 0.00 4.16 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 0.00 217 R 8.51 5.03 0.00 1.71 1.77 0.00 3.59 0.00 0.00 3.30 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.43 0.00 218 A 7.95 4.16 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 0.00 219 V 7.49 3.71 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 220 D 7.70 4.35 0.00 2.90 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 0.00 221 L 7.44 3.90 0.00 2.20 1.93 1.02 1.31 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 0.00 222 I 8.42 3.89 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.00 0.91 0.00 0.00 223 I 7.69 3.89 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.78 0.90 0.00 0.00 224 Q 8.60 4.00 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.33 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 225 A 7.06 4.37 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 0.00 0.00 226 R 8.13 4.78 0.00 1.90 2.10 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 227 G 7.74 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 7.33 4.85 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 0.00 229 V 7.82 3.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.92 0.00 0.00 230 V 7.42 3.56 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 0.79 0.00 0.00 0.93 0.00 0.00 231 E 8.33 4.35 0.00 2.07 1.94 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 2.26 2.33 0.00 232 P 0.00 4.29 0.00 2.08 2.10 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 233 S 8.02 4.80 0.00 3.81 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 0.00 234 P 0.00 4.80 0.00 2.10 2.04 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 235 S 8.23 4.44 0.00 3.98 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 0.00 236 Y 8.29 4.04 0.00 2.91 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 0.00 237 A 9.22 4.35 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 0.00 238 L 8.74 4.69 0.00 1.75 1.74 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 239 V 7.70 3.62 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 0.84 0.00 0.00 0.92 0.00 0.00 240 Q 8.59 3.70 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.42 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 *241 E 8.00 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.