NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2057 7.8827 121.4510 61.0867 38.2607 174.1017 17 V 3.6742 8.3587 127.0033 62.5958 32.4632 174.3234 18 G 3.9392 8.7214 115.9090 45.3019 0.0000 171.7420 19 G 3.8699 8.3727 109.9194 45.7042 0.0000 171.1680 20 Q 4.6021 8.0063 117.1768 54.4705 33.9515 173.9205 21 E 4.6132 8.5839 119.0469 56.2832 30.4089 177.9065 22 C 4.4609 8.8160 121.9827 56.8778 41.8332 174.0755 23 K 4.3022 9.7331 123.3335 54.7203 33.0506 175.8111 24 D 4.4006 8.4637 119.3892 56.3452 41.0411 177.1560 25 G 3.8203 9.9781 115.2841 45.6853 0.0000 173.9021 26 E 3.8904 7.9423 120.4968 58.1664 30.3514 176.0826 27 C 4.3082 7.2572 114.5284 54.5869 37.2509 173.0718 28 P 3.8688 0.0000 0.0000 64.4106 31.7370 178.4438 29 W 4.9077 6.1483 113.6396 55.7410 28.5600 175.2165 30 Q 4.6018 7.3807 121.1174 56.3215 29.0830 174.8861 31 A 4.9809 8.9931 126.4908 50.0935 23.5893 174.4118 32 L 4.9060 8.7309 120.4905 53.2739 45.5946 175.3197 33 L 4.9575 8.4872 126.9159 53.8192 43.1936 175.6613 34 I 5.1692 8.7927 117.8261 59.2514 40.6028 175.8896 35 N 5.4323 9.1174 122.4231 51.2726 39.3602 175.2829 36 E 4.0052 8.7313 116.4641 59.2382 29.5027 177.6192 37 E 4.3531 8.3408 116.3041 55.6605 29.7959 175.7391 38 N 4.3511 8.3336 115.3158 54.0237 36.7653 173.2594 39 E 4.5956 8.5972 119.6273 54.0834 31.1984 175.6607 40 G 3.9805 8.4920 115.0503 45.7935 0.0000 173.0902 41 F 5.0712 8.1007 115.1743 56.2616 39.9368 173.4518 42 C 4.8492 7.3595 115.2449 56.6025 44.6637 173.3382 43 G 4.3476 8.6563 109.3703 45.7934 0.0000 172.5445 44 G 4.4402 8.1762 104.7772 45.6429 0.0000 172.6300 45 T 5.3988 9.0150 117.0081 61.4407 72.0723 173.8411 46 I 4.3007 8.9624 127.7762 61.5142 37.5320 176.7120 47 L 4.5054 8.8975 127.6438 55.9694 42.0441 176.1028 48 S 4.8582 7.5693 110.8769 57.6882 65.3400 174.9229 49 E 3.9426 8.9371 117.0577 58.5969 29.5360 177.9967 50 F 4.7554 7.8631 116.7327 57.1492 40.7572 174.3374 51 Y 5.4372 8.0217 118.8510 56.1137 41.2077 174.5776 52 I 4.9828 8.8381 124.1749 59.5178 40.4361 174.1582 53 L 4.9290 9.2027 129.0177 54.2093 44.1425 175.3425 54 T 4.9018 8.8062 119.2822 61.3809 71.3929 171.2583 55 A 4.9079 8.3437 122.1506 50.2763 20.6654 178.6033 56 A 3.7524 8.3867 124.6856 55.3169 18.6764 179.7006 57 H 4.0418 8.0211 111.3889 58.2153 29.0948 177.1148 58 C 4.4359 7.6675 118.2650 59.5914 40.1476 175.7793 59 L 3.8944 7.7661 118.9828 57.3963 40.9856 177.8351 60 Y 4.3038 8.1524 116.3400 60.1202 38.2250 177.0648 61 Q 4.3154 8.0132 115.5474 56.0265 28.5585 175.6266 61A A 4.2566 7.1953 117.9729 50.8171 22.3987 177.2441 62 K 4.1158 8.6979 123.8270 59.3006 32.9244 177.1274 63 R 4.7447 7.6453 115.4184 55.1503 33.9376 173.2875 64 F 5.4315 7.8925 114.4083 56.0446 41.1063 172.6980 65 K 4.7905 9.1446 118.4658 54.7061 36.8004 174.9576 66 V 4.8210 8.7003 120.6786 61.2683 34.1742 174.0292 67 R 5.0928 9.2585 128.3683 54.7342 32.3518 175.0260 68 V 4.6062 8.5653 119.2437 60.4993 35.0308 176.9862 69 G 3.9697 8.8856 109.6543 45.8815 0.0000 172.9503 70 D 4.8051 7.7491 119.4429 53.0460 42.4856 176.8068 71 R 4.5955 8.6115 122.8142 56.0368 32.3908 174.9085 72 N 5.4084 8.3163 116.2926 51.8777 40.9136 174.7325 73 T 4.2733 9.0396 116.0761 62.7401 69.2303 175.1584 74 E 4.4047 8.8035 121.1978 56.8413 30.0591 176.1273 75 Q 4.4453 7.5567 116.5212 54.0887 32.6902 174.7634 76 E 4.5013 8.7328 121.8220 55.5260 29.0490 175.5221 77 E 4.6953 10.0005 125.3244 53.6917 31.9534 176.4234 78 G 3.7601 8.4654 110.1738 47.6196 0.0000 173.2091 79 G 4.0735 8.8804 109.6485 45.0776 0.0000 174.0396 80 E 4.5435 7.4569 118.5963 56.4713 30.2395 176.5657 81 A 4.6671 8.6657 123.6527 50.7238 23.1881 175.0528 82 V 4.8184 8.3029 120.5398 61.5694 33.7856 174.7015 83 H 4.9797 9.2776 123.8089 54.0423 32.6571 172.6774 84 E 4.5623 8.7216 121.4285 55.7200 31.3506 175.4193 85 V 4.1275 8.0735 122.8777 62.4511 32.0440 175.0907 86 E 4.3033 9.4836 129.8463 57.9080 30.6732 176.5612 87 V 4.4676 7.5258 118.0932 60.9784 35.3008 174.0019 88 V 4.5663 8.5378 127.2169 61.4545 33.1912 174.9870 89 I 4.4442 9.0163 130.0179 59.6055 38.5552 174.0447 90 K 4.8447 8.5175 128.1152 54.8406 33.7323 175.5216 91 H 4.3453 8.6583 127.0951 56.4786 30.1337 176.0636 92 N 4.5162 9.1140 123.0676 55.7052 38.6159 175.7904 93 R 4.2189 7.8558 115.1018 55.5911 30.6230 176.2522 94 F 4.7105 7.7167 120.9359 58.0376 40.1406 174.2034 95 T 4.0308 6.6505 119.7554 60.2142 70.0824 174.5279 96 K 3.6512 7.8681 125.9815 58.3298 32.5577 178.1407 97 E 3.9925 8.3785 120.6484 58.6182 29.5072 177.4593 98 T 4.2923 7.4405 104.9207 60.5123 70.5120 173.8803 99 Y 3.2810 7.7632 118.1048 58.7525 36.0668 169.3993 100 D 4.5845 7.7159 119.1158 54.6846 42.0109 175.6947 101 F 3.8574 8.1091 118.9446 58.7958 36.4058 176.4571 102 D 4.5661 8.0460 120.0567 52.8442 39.2819 174.3334 103 I 4.6858 7.1100 120.4386 59.3424 42.0626 172.7409 104 A 5.3881 9.0341 128.5260 50.6954 23.2135 175.0164 105 V 5.0006 9.3538 119.7161 61.0966 35.0282 174.3507 106 L 5.3025 9.1321 126.9329 53.0233 44.8315 175.1703 107 R 4.5366 8.7987 124.6646 54.6986 31.5197 175.5992 108 L 4.6721 8.6436 127.1851 54.3421 42.2083 177.2497 109 K 4.2835 8.9663 124.2301 59.0897 32.5978 177.4062 110 T 4.8322 7.7598 107.7723 58.4871 71.5324 171.5820 111 P 3.7791 0.0000 0.0000 62.7956 31.8928 175.8836 112 I 3.8967 7.9651 123.9224 61.4958 38.0291 175.5941 113 T 4.2063 8.2109 122.9882 61.8779 69.3469 174.8209 114 F 4.8927 8.3436 126.4075 57.6711 40.0796 175.3050 115 R 4.4761 8.5804 119.4377 55.8471 31.9955 172.9702 116 M 4.1577 8.5459 117.9293 57.7594 32.0687 176.5417 117 N 4.2656 9.6278 121.6827 53.4702 36.1560 174.1591 118 V 4.3318 7.8450 119.0290 61.7746 32.6985 172.9463 119 A 4.3942 8.3425 127.3924 49.4239 22.8526 173.6594 120 P 4.9486 0.0000 0.0000 62.6225 32.5801 175.5850 121 A 4.3326 8.4137 123.0350 51.1634 20.3485 176.9549 122 C 4.3904 8.0049 118.1365 59.1852 29.7932 173.0767 123 L 4.8324 8.5168 123.0407 53.1016 42.4326 175.1268 124 P 4.7689 0.0000 0.0000 61.6769 33.3822 175.1561 124A E 4.4499 8.3390 117.4257 55.7636 31.6444 176.5001 125 R 3.7593 8.8412 121.7205 60.7883 29.5912 178.0432 126 D 4.3635 8.0559 117.4395 57.3360 41.1146 178.9251 127 W 4.0445 8.1401 128.0729 60.0782 30.7515 177.8311 128 A 3.4162 8.2335 120.8852 55.0726 17.6112 179.2801 129 E 3.6680 7.8196 116.0360 59.2684 29.5819 179.1160 130 S 4.2343 7.2138 111.0238 59.8189 63.8504 175.6609 131 T 3.8270 7.2810 117.8410 63.8060 69.4481 176.1999 131A L 3.9985 6.4925 119.7183 56.8852 42.2975 178.7055 131B M 3.3697 7.4777 116.5767 57.3137 31.8612 177.2215 132 T 3.9848 7.0796 106.9064 61.3283 69.5316 174.7408 133 Q 4.1818 7.2309 121.7307 55.6769 29.6221 176.1346 134 K 4.1921 8.5346 119.9586 58.9983 32.5437 175.9206 135 T 5.0826 7.6788 106.6693 60.6374 72.4237 172.4346 136 G 4.1052 8.3866 108.0677 45.2166 0.0000 171.4239 137 I 5.2278 9.1961 121.3599 59.2142 40.1842 175.6081 138 V 5.3247 8.8974 126.1391 59.3383 34.2098 174.7774 139 S 5.0514 8.7978 115.8940 56.4366 66.5002 172.9754 140 G 4.0214 7.5786 108.3685 46.3832 0.0000 172.5260 141 F 4.8642 8.4690 116.0610 57.2881 39.8988 177.0566 142 G 3.9886 8.6199 108.8836 45.7780 0.0000 173.4821 143 R 5.2929 8.7806 119.0020 56.4221 30.3629 177.7114 144 T 4.4368 8.4038 109.7386 61.4748 69.9783 174.1952 145 H 4.6850 7.4504 118.3004 55.0778 32.8946 173.6301 *147 E 4.2942 8.7240 122.6843 55.9824 30.9246 176.8251 148 K 4.5064 8.1072 113.7256 56.0308 32.8826 176.4585 149 G 4.0889 7.6662 109.6568 44.5557 0.0000 173.9199 150 R 4.4430 8.1891 117.5654 55.4542 31.9021 176.3829 151 Q 4.5792 8.4777 119.4445 55.8811 29.6699 176.1495 152 S 4.5248 8.4982 117.7163 58.6337 62.9603 174.3497 153 T 4.4040 8.8192 115.6218 62.9945 69.9982 174.0247 154 R 5.2947 7.6550 120.8078 53.8743 33.2728 175.5249 155 L 2.9670 8.5970 125.2819 55.0989 42.9860 176.0726 156 K 5.1560 8.2272 125.3238 54.8002 35.8546 174.9051 157 M 5.3037 9.0746 118.7323 54.0333 35.4810 173.8110 158 L 4.7802 8.6268 120.1029 53.9776 46.2849 173.5491 159 E 4.7799 8.9037 127.5235 55.6865 30.6587 175.6009 160 V 4.3623 8.3973 120.0586 58.7019 34.9410 173.5364 161 P 4.5477 0.0000 0.0000 62.3752 32.4869 175.5602 162 Y 4.2965 8.3685 121.7102 58.1594 38.5380 175.6251 163 V 4.2705 8.3055 122.9537 60.4809 34.2157 174.9132 164 D 4.2735 8.6490 126.3112 54.7877 41.7025 176.8156 165 R 3.8847 8.8868 126.2052 59.9678 30.1147 178.2457 166 N 4.3700 8.1849 115.5319 56.3265 38.4080 177.4780 167 S 4.1793 8.3341 115.9569 61.5679 63.2206 175.6167 168 C 4.5464 8.3114 121.2276 59.7344 37.9459 175.6427 169 K 3.9460 8.2579 120.1626 59.7031 31.4178 179.2810 170 L 4.0820 7.7289 117.9705 57.5307 41.6376 179.0544 171 S 4.3602 7.8606 111.6283 58.6702 63.8134 173.9591 172 S 4.9850 7.2202 117.4057 56.9540 63.5612 174.1751 173 S 4.1238 9.0691 122.8866 60.0040 62.8898 174.3608 174 F 5.0035 7.5555 117.3956 54.9204 41.5085 175.2171 175 I 3.8760 8.3931 123.5709 61.6554 37.3175 175.8622 176 I 4.4095 8.4602 126.6712 60.2402 37.9659 175.7281 177 T 4.5049 8.2472 115.9976 59.7451 70.5814 175.4671 178 Q 4.1281 8.4228 118.9502 58.3381 28.8113 176.5858 179 N 4.6608 8.0780 116.2334 53.6679 38.7690 173.8830 180 M 5.5832 7.9529 117.6363 53.7114 36.2537 174.4225 181 F 5.0808 8.6823 113.9798 55.9967 42.0921 172.5287 182 C 5.4620 8.8972 116.2319 55.6586 44.4253 172.7127 183 A 4.8126 9.0066 121.9655 51.5429 22.4132 174.7034 184 G 3.9691 7.5379 105.6318 44.6012 0.0000 173.1829 185 Y 4.9757 8.3561 119.9350 56.1264 42.0615 175.1457 185A D 4.2289 9.1872 122.6355 57.1718 41.6292 178.0854 185B T 4.3876 7.6810 105.0587 61.2314 70.7722 174.2608 186 K 3.8931 8.0368 122.7539 56.7089 33.1211 177.0650 187 Q 4.4086 8.2334 125.8611 54.9752 27.5297 175.5175 188 E 4.9631 7.3053 116.0442 54.6911 34.1145 176.1170 189 D 4.4973 8.4958 121.9598 54.1654 45.9992 174.7545 190 A 4.7129 8.6003 123.4364 51.5774 20.8679 175.9863 191 C 4.6202 9.0692 117.2894 55.6428 47.2849 172.2854 192 Q 4.2214 8.5991 121.2294 57.6614 28.7113 176.5092 193 G 4.1007 9.0987 113.5233 46.2381 0.0000 174.2978 194 D 4.5936 8.5998 118.8888 55.3456 41.6861 176.7422 195 S 4.4618 7.9745 115.5495 60.5145 63.2950 175.3986 196 G 4.0452 9.4628 113.2721 45.2250 0.0000 173.7281 197 G 4.1311 7.8631 107.4318 45.1272 0.0000 171.1030 198 P 5.1169 0.0000 0.0000 62.5035 33.5775 174.7699 199 H 5.2475 8.8616 120.7834 54.7710 32.7135 172.5433 200 V 5.0545 8.9251 118.8079 59.8362 35.9005 174.7411 201 T 4.9729 9.0863 119.1808 61.8073 71.9170 173.1183 202 R 4.2303 8.6997 126.9701 55.3468 31.2890 175.1767 203 F 4.8252 9.0184 128.5082 56.8919 42.8705 176.3659 204 K 3.5976 8.7573 130.5398 57.3463 29.9824 176.2215 205 D 4.8789 9.1178 121.1107 54.8617 42.6231 173.7525 206 T 4.6474 7.9994 113.1910 61.5116 72.7055 172.7500 207 Y 4.6860 8.4212 123.2856 56.7352 39.9883 174.3244 208 F 5.2156 9.0074 123.3028 55.2279 42.2270 175.2351 209 V 4.2694 8.5349 124.1775 62.1922 31.3143 175.8929 210 T 4.6219 9.3162 115.2591 61.8201 71.6336 173.7676 211 G 5.2143 8.1541 107.4949 45.8441 0.0000 171.3491 212 I 5.0209 8.2967 119.4508 58.8862 40.8695 175.4240 213 V 3.2404 8.6396 127.5551 64.0506 31.7728 174.2707 214 S 4.8509 8.3441 120.7655 58.5270 64.2310 173.8684 215 W 4.9333 7.5619 113.9482 55.8904 31.8946 172.3970 216 G 4.1090 8.3797 104.1549 45.9826 0.0000 173.9539 217 E 4.4968 9.2409 122.2444 55.9393 29.4009 177.8233 218 G 3.7481 8.2919 115.5702 45.3917 0.0000 171.8483 218 C 4.3381 8.2819 125.3702 58.4917 24.5415 171.5483 221 A 3.8678 8.9114 125.3944 52.9630 16.8634 177.4492 222 R 4.1305 7.6463 116.6914 56.9409 30.9095 176.3143 223 K 4.3098 8.3480 122.9191 57.8297 32.5968 177.2907 223A G 3.8716 9.1312 114.4487 45.2840 0.0000 173.1449 224 K 4.4083 7.3951 117.3642 54.4523 35.4591 174.7028 225 Y 4.8687 8.1524 118.1455 55.9366 41.7725 175.1094 226 G 3.8580 8.9109 107.6948 45.8429 0.0000 172.9055 227 I 4.6274 7.7971 124.3825 59.2456 39.7001 174.3682 228 Y 4.8363 8.0811 123.4682 55.9747 41.9511 175.0983 229 T 4.4856 8.6318 119.9476 63.4505 70.1936 173.9144 230 K 4.4979 9.5145 128.9619 55.9452 32.2508 177.4667 231 V 3.9221 9.0032 129.3844 66.2921 31.2761 177.7406 232 T 4.0266 8.0741 108.0014 64.6732 68.4434 175.4664 233 A 4.0762 7.7535 121.4031 53.2792 18.5496 177.7773 234 F 5.0631 8.2044 115.9407 56.9499 40.3046 177.2198 235 L 4.1475 8.2598 124.1605 58.0887 41.3226 179.4581 236 K 4.1255 8.1632 117.9805 58.9582 32.0054 179.1257 237 W 4.1493 8.4221 128.3996 60.4692 30.7399 177.9907 238 I 3.6964 8.5508 120.1409 64.4734 36.3923 177.7985 239 D 4.2440 7.8789 117.5473 57.3425 41.3348 178.1085 240 R 3.9171 8.0084 119.0351 59.5729 29.7583 178.5987 241 S 3.7912 7.7471 115.1378 61.7299 62.4646 176.3856 242 M 3.1736 7.7012 119.6776 56.5016 31.6542 177.5302 243 K 4.4548 7.3137 117.8840 55.1101 33.9477 176.5152 244 T 3.1724 7.1650 118.9543 64.7858 65.6414 173.2133 *245 R 4.1415 7.9371 121.1892 56.1861 30.1263 176.0070 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 16 I 7.88 4.21 1.84 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 1.43 1.04 0.97 0.00 0.00 17 V 8.36 3.67 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 0.95 0.00 0.00 18 G 8.72 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 0.00 0.00 0.00 19 G 8.37 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 20 Q 8.01 4.60 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 21 E 8.58 4.61 0.00 1.82 1.82 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 2.26 2.31 0.00 22 C 8.82 4.46 0.00 2.70 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 9.73 4.30 0.00 1.80 1.68 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.44 7.81 24 D 8.46 4.40 0.00 2.57 2.57 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 0.00 0.00 0.00 0.00 25 G 9.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.94 3.89 0.00 1.99 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 2.20 2.19 0.00 27 C 7.26 4.31 0.00 2.72 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 28 P 0.00 3.87 0.00 1.96 1.92 0.00 2.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 0.00 29 W 6.15 4.91 0.00 3.54 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 30 Q 7.38 4.60 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 31 A 8.99 4.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.73 4.91 0.00 1.73 1.38 0.82 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.49 4.96 0.00 0.46 1.05 0.33 0.39 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 34 I 8.79 5.17 1.94 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 1.48 0.88 0.88 0.00 0.00 35 N 9.12 5.43 0.00 2.89 2.83 0.00 0.00 6.87 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.73 4.01 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 37 E 8.34 4.35 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 38 N 8.33 4.35 0.00 2.87 2.94 0.00 0.00 6.75 7.47 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 39 E 8.60 4.60 0.00 2.01 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 2.30 2.26 0.00 40 G 8.49 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 0.00 0.00 0.00 41 F 8.10 5.07 0.00 3.02 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 42 C 7.36 4.85 0.00 2.11 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 43 G 8.66 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.18 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 45 T 9.01 5.40 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 1.31 0.00 0.00 46 I 8.96 4.30 2.02 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 1.35 0.95 1.09 0.00 0.00 47 L 8.90 4.51 0.00 1.94 1.82 1.03 1.14 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 48 S 7.57 4.86 0.00 4.19 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 49 E 8.94 3.94 0.00 1.80 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 2.20 1.49 0.00 50 F 7.86 4.76 0.00 3.10 2.43 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 51 Y 8.02 5.44 0.00 3.00 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 52 I 8.84 4.98 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.13 1.00 0.00 0.00 53 L 9.20 4.93 0.00 1.84 1.63 1.12 0.64 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 54 T 8.81 4.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 55 A 8.34 4.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.39 3.75 0.66 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 57 H 8.02 4.04 0.00 3.08 3.07 0.00 5.27 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 58 C 7.67 4.44 0.00 2.97 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 59 L 7.77 3.89 0.00 1.71 1.73 0.95 1.01 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 60 Y 8.15 4.30 0.00 3.13 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 61 Q 8.01 4.32 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 61A A 7.20 4.26 0.65 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 62 K 8.70 4.12 0.00 1.72 2.06 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 R 7.65 4.74 0.00 1.88 1.72 0.00 3.15 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 64 F 7.89 5.43 0.00 3.40 3.26 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 65 K 9.14 4.79 0.00 1.74 1.94 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.51 7.81 66 V 8.70 4.82 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 1.10 0.00 0.00 67 R 9.26 5.09 0.00 1.84 1.70 0.00 3.00 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 68 V 8.57 4.61 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 0.92 0.00 0.00 1.00 0.00 0.00 69 G 8.89 3.97 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 0.00 0.00 0.00 70 D 7.75 4.81 0.00 2.75 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 71 R 8.61 4.60 0.00 1.90 1.92 0.00 3.07 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 72 N 8.32 5.41 0.00 2.66 2.76 0.00 0.00 6.80 8.40 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 73 T 9.04 4.27 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 0.72 0.00 0.00 74 E 8.80 4.40 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 75 Q 7.56 4.45 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 76 E 8.73 4.50 0.00 1.95 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 2.26 2.31 0.00 77 E 10.00 4.70 0.00 1.91 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 2.24 2.39 0.00 78 G 8.47 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 79 G 8.88 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.46 4.54 0.00 1.86 1.89 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 2.35 2.38 0.00 81 A 8.67 4.67 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.30 4.82 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 0.85 0.00 0.00 0.92 0.00 0.00 83 H 9.28 4.98 0.00 3.04 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.72 4.56 0.00 1.91 1.82 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 2.33 2.28 0.00 85 V 8.07 4.13 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 0.75 0.00 0.00 0.91 0.00 0.00 86 E 9.48 4.30 0.00 2.02 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 2.23 2.21 0.00 87 V 7.53 4.47 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 0.93 0.00 0.00 0.90 0.00 0.00 88 V 8.54 4.57 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 0.98 0.00 0.00 1.02 0.00 0.00 89 I 9.02 4.44 2.02 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 1.14 0.70 0.83 0.00 0.00 90 K 8.52 4.84 0.00 1.84 1.79 0.00 1.97 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.45 7.81 91 H 8.66 4.35 0.00 2.80 3.03 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 9.11 4.52 0.00 2.76 2.89 0.00 0.00 7.06 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.86 4.22 0.00 0.67 1.04 0.00 3.02 0.00 0.00 2.58 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.00 94 F 7.72 4.71 0.00 3.15 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 95 T 6.65 4.03 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 1.05 0.00 0.00 96 K 7.87 3.65 0.00 1.57 1.76 0.00 1.72 0.00 0.00 1.37 0.00 0.00 2.34 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 0.98 7.81 97 E 8.38 3.99 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 98 T 7.44 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 99 Y 7.76 3.28 0.00 2.59 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 7.72 4.58 0.00 2.76 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 0.00 101 F 8.11 3.86 0.00 3.30 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.05 4.57 0.00 3.06 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.11 4.69 1.40 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 1.07 0.96 -0.25 0.00 0.00 104 A 9.03 5.39 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 0.00 105 V 9.35 5.00 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 1.24 0.00 0.00 1.12 0.00 0.00 106 L 9.13 5.30 0.00 1.73 1.65 1.17 1.21 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 0.00 107 R 8.80 4.54 0.00 1.85 1.69 0.00 2.97 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.62 0.00 108 L 8.64 4.67 0.00 1.59 1.60 0.79 0.80 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 0.00 109 K 8.97 4.28 0.00 1.77 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.40 7.81 110 T 7.76 4.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 111 P 0.00 3.78 0.00 1.60 0.97 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 112 I 7.97 3.90 1.70 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.40 0.98 0.00 0.00 113 T 8.21 4.21 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 1.17 0.00 0.00 114 F 8.34 4.89 0.00 3.03 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 0.00 115 R 8.58 4.48 0.00 1.97 2.06 0.00 2.79 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 116 M 8.55 4.16 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 117 N 9.63 4.27 0.00 2.94 2.91 0.00 0.00 6.51 7.68 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 0.00 118 V 7.84 4.33 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 1.10 0.00 0.00 0.98 0.00 0.00 119 A 8.34 4.39 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 0.00 120 P 0.00 4.95 0.00 2.08 2.04 0.00 2.97 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 1.76 1.64 0.00 121 A 8.41 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 8.00 4.39 0.00 2.34 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 0.00 123 L 8.52 4.83 0.00 1.72 1.70 0.98 1.14 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 0.00 124 P 0.00 4.77 0.00 2.32 2.09 0.00 3.90 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 2.03 2.06 0.00 124A E 8.34 4.45 0.00 2.06 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 2.33 2.23 0.00 125 R 8.84 3.76 0.00 1.89 1.87 0.00 3.18 0.00 0.00 3.34 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 126 D 8.06 4.36 0.00 2.77 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 0.00 127 W 8.14 4.04 0.00 3.26 3.22 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 0.00 128 A 8.23 3.42 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 0.00 129 E 7.82 3.67 0.00 1.98 1.89 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 2.24 2.38 0.00 130 S 7.21 4.23 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.28 3.83 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 0.25 0.00 0.00 131A L 6.49 4.00 0.00 1.40 1.45 0.72 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 131B M 7.48 3.37 0.00 1.52 1.93 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 132 T 7.08 3.98 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 1.04 0.00 0.00 133 Q 7.23 4.18 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 134 K 8.53 4.19 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.44 7.81 135 T 7.68 5.08 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 1.25 0.00 0.00 136 G 8.39 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 0.00 0.00 0.00 137 I 9.20 5.23 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 1.01 0.00 0.00 138 V 8.90 5.32 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 1.21 0.00 0.00 1.19 0.00 0.00 139 S 8.80 5.05 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.58 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.47 4.86 0.00 2.90 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 0.00 142 G 8.62 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 0.00 143 R 8.78 5.29 0.00 1.72 2.10 0.00 3.15 0.00 0.00 3.29 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 144 T 8.40 4.44 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 1.20 0.00 0.00 145 H 7.45 4.68 0.00 3.19 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *147 E 8.72 4.29 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 148 K 8.11 4.51 0.00 1.77 1.79 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.41 7.81 149 G 7.67 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.19 4.44 0.00 1.81 1.89 0.00 3.15 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 151 Q 8.48 4.58 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 152 S 8.50 4.52 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 T 8.82 4.40 4.30 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 1.25 0.00 0.00 154 R 7.65 5.29 0.00 1.68 1.83 0.00 3.36 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 155 L 8.60 2.97 0.00 1.25 1.31 0.39 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.23 5.16 0.00 1.59 1.66 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.45 7.81 157 M 9.07 5.30 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 158 L 8.63 4.78 0.00 1.79 1.54 1.06 0.98 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 0.00 159 E 8.90 4.78 0.00 2.07 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 2.28 2.37 0.00 160 V 8.40 4.36 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 0.83 0.00 0.00 0.83 0.00 0.00 161 P 0.00 4.55 0.00 1.81 1.84 0.00 2.84 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.92 0.00 162 Y 8.37 4.30 0.00 2.83 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 0.00 163 V 8.31 4.27 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.61 0.00 0.00 164 D 8.65 4.27 0.00 2.73 2.49 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 0.00 165 R 8.89 3.88 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 166 N 8.18 4.37 0.00 2.92 2.85 0.00 0.00 7.13 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 0.00 167 S 8.33 4.18 0.00 3.93 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 0.00 168 C 8.31 4.55 0.00 2.98 3.25 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 0.00 169 K 8.26 3.95 0.00 2.00 1.90 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.78 7.81 170 L 7.73 4.08 0.00 1.89 1.77 0.94 0.70 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 0.00 171 S 7.86 4.36 0.00 4.32 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 0.00 172 S 7.22 4.99 0.00 4.03 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 0.00 173 S 9.07 4.12 0.00 2.80 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 0.00 174 F 7.56 5.00 0.00 2.97 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 0.00 175 I 8.39 3.88 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.53 0.98 0.00 0.00 176 I 8.46 4.41 1.95 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 1.62 0.88 0.97 0.00 0.00 177 T 8.25 4.50 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 1.29 0.00 0.00 178 Q 8.42 4.13 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.16 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 179 N 8.08 4.66 0.00 2.84 2.96 0.00 0.00 6.61 7.68 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 0.00 180 M 7.95 5.58 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 181 F 8.68 5.08 0.00 3.06 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 0.00 182 C 8.90 5.46 0.00 2.77 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 0.00 183 A 9.01 4.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 7.54 3.97 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 0.00 0.00 0.00 185 Y 8.36 4.98 0.00 2.95 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 185A D 9.19 4.23 0.00 2.87 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 185B T 7.68 4.39 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 186 K 8.04 3.89 0.00 1.53 1.33 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.08 1.23 7.81 187 Q 8.23 4.41 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.47 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 188 E 7.31 4.96 0.00 1.81 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 2.15 2.11 0.00 189 D 8.50 4.50 0.00 2.86 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.60 4.71 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 0.00 191 C 9.07 4.62 0.00 2.94 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 0.00 192 Q 8.60 4.22 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.63 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 193 G 9.10 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.60 4.59 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 7.97 4.46 0.00 3.96 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 0.00 196 G 9.46 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.86 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 0.00 198 P 0.00 5.12 0.00 2.25 2.32 0.00 3.90 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 199 H 8.86 5.25 0.00 3.23 3.39 0.00 5.52 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 0.00 200 V 8.93 5.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 1.07 0.00 0.00 201 T 9.09 4.97 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 1.34 0.00 0.00 202 R 8.70 4.23 0.00 1.16 1.68 0.00 3.13 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.90 0.00 203 F 9.02 4.83 0.00 3.22 3.35 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 0.00 204 K 8.76 3.60 0.00 1.73 1.25 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.72 0.21 7.81 205 D 9.12 4.88 0.00 2.54 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 T 8.00 4.65 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 207 Y 8.42 4.69 0.00 2.36 2.34 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 0.00 208 F 9.01 5.22 0.00 3.00 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 0.00 209 V 8.53 4.27 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 0.83 0.00 0.00 1.01 0.00 0.00 210 T 9.32 4.62 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 211 G 8.15 5.21 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 0.00 212 I 8.30 5.02 1.93 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 1.32 0.81 1.00 0.00 0.00 213 V 8.64 3.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.11 0.00 0.00 214 S 8.34 4.85 0.00 4.02 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 0.00 215 W 7.56 4.93 0.00 3.18 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.38 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 0.00 0.00 0.00 217 E 9.24 4.50 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 218 G 8.29 3.75 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 0.00 218 C 8.28 4.34 0.00 2.87 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 0.00 221 A 8.91 3.87 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 0.00 222 R 7.65 4.13 0.00 1.87 1.83 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 223 K 8.35 4.31 0.00 1.69 1.69 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.41 7.81 223A G 9.13 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 0.00 224 K 7.40 4.41 0.00 1.77 1.62 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.29 1.50 7.81 225 Y 8.15 4.87 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 G 8.91 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 0.00 227 I 7.80 4.63 0.56 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.36 0.40 0.00 0.00 228 Y 8.08 4.84 0.00 1.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.63 4.49 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 1.35 0.00 0.00 230 K 9.51 4.50 0.00 2.10 1.85 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.46 7.81 231 V 9.00 3.92 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.12 0.00 0.00 232 T 8.07 4.03 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 1.14 0.00 0.00 233 A 7.75 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 F 8.20 5.06 0.00 3.16 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 0.00 235 L 8.26 4.15 0.00 1.76 1.81 1.02 0.91 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 0.00 236 K 8.16 4.13 0.00 1.92 1.94 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.55 7.81 237 W 8.42 4.15 0.00 3.68 3.68 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 0.00 238 I 8.55 3.70 2.18 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.02 0.96 0.00 0.00 239 D 7.88 4.24 0.00 2.78 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 0.00 240 R 8.01 3.92 0.00 1.93 1.84 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 241 S 7.75 3.79 0.00 3.48 3.39 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 0.00 242 M 7.70 3.17 0.00 1.39 1.78 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.25 0.00 243 K 7.31 4.45 0.00 1.81 1.76 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.52 7.81 244 T 7.16 3.17 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 1.19 0.00 0.00 *245 R 7.94 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.