NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 N 4.7509 8.4249 117.7907 50.9138 39.4084 173.6417 3 P 4.3415 0.0000 0.0000 64.0784 31.5044 171.8364 4 V 4.2490 9.2746 115.9910 61.6121 33.9022 175.6942 5 H 4.6149 8.6304 115.1692 57.0615 30.3009 174.7482 6 I 4.2035 8.9082 123.8752 60.3474 36.5162 176.2181 7 L 4.5523 8.2016 129.3429 54.2915 42.0255 177.0496 8 A 4.5396 7.6828 120.2905 51.1620 20.4601 177.9971 9 K 4.3797 8.4933 119.4876 54.7254 33.5844 176.5951 10 K 4.1462 8.2897 122.3525 58.1547 32.4158 177.1873 11 G 4.0106 9.1122 114.0480 45.3752 0.0000 173.4328 12 E 4.4323 7.8663 117.5659 55.9553 30.4836 175.9462 13 V 4.2686 7.4056 118.3588 60.5215 33.8135 174.9885 14 A 4.3054 8.5710 130.4321 51.7211 19.2638 177.2072 15 E 4.2351 8.5056 118.5472 58.2976 31.0221 177.3734 16 R 4.7162 7.7663 119.0839 54.5835 32.2191 175.8625 17 V 4.8394 8.7431 123.9725 60.9183 35.3010 173.7048 18 L 5.0101 9.0433 130.3443 53.8848 43.6335 175.2045 19 V 5.0909 8.7218 120.0582 59.8848 34.3357 175.4934 20 V 4.6537 8.8973 117.3839 59.5693 35.1859 176.9289 21 G 3.5480 8.5603 110.0996 48.5489 0.0000 173.0798 22 D 5.0396 7.9128 121.3006 52.0971 41.9883 175.0839 23 P 5.0099 0.0000 0.0000 65.3682 31.1482 178.7124 24 G 3.6028 8.9785 106.2674 47.6123 0.0000 175.7869 25 R 3.9528 8.0423 120.8915 58.9598 30.1168 178.4147 26 A 4.0167 7.9983 120.3082 55.1304 18.2548 179.4228 27 R 3.1471 7.7611 115.9742 59.3759 30.1209 178.2251 28 L 4.0231 7.9382 120.0669 57.9344 41.9781 178.5866 29 L 3.9033 8.2796 118.9959 56.6299 41.7178 179.0732 30 S 4.0552 7.7047 114.6541 61.1834 62.4236 176.2194 31 T 3.9711 7.1293 111.8423 63.6208 68.5696 175.5203 32 L 4.3338 7.9437 121.1631 54.9507 42.2075 176.5800 33 L 4.7911 7.1518 118.8846 53.5280 43.4051 175.7933 34 Q 4.2831 9.0563 120.3462 55.8975 30.0783 175.9493 35 N 4.2764 8.8540 121.7390 53.8997 37.2006 172.7153 36 P 4.5600 0.0000 0.0000 62.9088 32.6051 176.5601 37 K 4.6951 8.8629 121.7047 54.2328 35.7994 175.2171 38 L 4.2165 8.8072 127.6252 55.3526 42.1118 176.2993 39 T 4.4320 8.6702 116.8701 61.3088 69.8519 174.1572 40 N 4.5169 7.2361 118.2830 53.5414 42.0651 174.3269 41 E 4.6419 8.3673 119.4999 55.1440 31.9092 174.6920 42 N 4.4430 7.8062 119.3146 55.6991 39.3042 174.5478 43 R 3.8763 9.6935 121.7511 57.0770 27.8689 177.3539 44 G 3.7691 8.1571 104.1109 45.8046 0.0000 175.5491 45 F 4.6393 7.7447 119.8768 55.8100 37.1370 174.3158 46 L 4.2428 7.9951 121.0608 54.9432 43.2297 176.3053 47 V 4.8145 8.5883 123.5939 61.3562 34.4726 173.7125 48 Y 5.2348 9.4313 125.6806 56.6017 41.3465 174.9800 49 T 5.0148 9.1920 119.0437 62.2307 72.4237 173.0838 50 G 4.2701 9.0058 114.1421 45.5933 0.0000 171.3740 51 K 5.3438 8.3340 119.2062 55.1514 36.7234 175.4603 52 Y 4.4913 9.2042 119.5349 58.1096 41.8461 174.1349 53 N 3.7904 9.2611 125.8052 54.5572 36.0033 174.9967 54 G 3.9153 8.4698 102.5203 45.9433 0.0000 173.5501 55 E 4.6967 7.8635 119.7196 54.0696 32.3124 174.9867 56 T 4.6573 8.3295 121.4353 62.9865 69.6379 174.4138 57 V 4.7066 8.8509 125.6658 61.2678 35.5390 174.1383 58 S 5.3093 8.7646 121.6313 56.7896 66.6638 173.0842 59 I 5.0765 9.1514 123.4325 59.6442 39.7799 174.5197 60 A 5.2868 8.9622 128.5247 50.3414 22.7504 174.7275 61 T 5.0018 8.6249 117.4237 63.0843 69.9561 175.1360 62 H 4.7454 9.1989 120.6995 54.7241 29.7140 175.9225 63 G 3.9939 7.8359 107.8542 45.1766 0.0000 172.3056 64 I 4.5146 8.4773 119.1129 60.6481 39.4898 176.3871 65 G 4.0099 9.3955 111.3673 45.3054 0.0000 174.5939 66 G 3.6384 8.6692 108.2897 46.6328 0.0000 174.0796 67 P 4.2193 0.0000 0.0000 65.1898 31.3336 178.6727 68 S 4.0282 7.9209 111.1492 61.5133 62.4709 175.8898 69 I 3.5679 7.8240 121.0894 63.7306 37.5737 177.6084 70 A 3.9051 8.2245 122.2178 55.1040 18.2321 179.6427 71 I 3.5481 7.4091 117.8351 64.5207 37.1420 178.8276 72 V 3.2936 7.3437 118.8978 65.8175 31.2090 178.0130 73 L 3.3434 7.9664 118.9966 57.5648 41.3831 179.2029 74 E 4.1757 8.2015 118.4853 59.7880 29.4642 179.4854 75 E 4.0074 8.1902 118.3649 59.2466 29.4571 179.3752 76 L 3.9613 8.0768 119.0456 57.7062 41.6115 179.3913 77 A 4.7015 7.9868 122.2264 55.0194 18.0882 179.5649 78 M 4.1470 7.9140 115.8888 57.5122 32.0082 177.8193 79 L 4.5494 7.2156 117.3082 54.3178 42.3548 177.2223 80 G 3.9509 8.2661 108.1592 44.7219 0.0000 173.7527 81 A 4.5102 8.0849 122.6564 51.9353 19.5170 178.2024 82 N 4.7766 8.6518 114.2739 52.5925 41.4338 173.8894 83 V 4.7013 6.9711 119.9824 61.3540 34.7273 173.7917 84 F 5.4456 9.3506 126.7449 55.7157 42.7956 174.3708 85 I 4.9846 8.7128 123.4512 59.4422 40.2621 174.7112 86 R 4.7070 9.1092 129.1542 56.2301 31.5840 174.6288 87 Y 5.3063 9.3141 127.4509 56.2570 41.0965 173.5592 88 G 4.5490 8.5039 116.6811 44.8031 0.0000 169.7033 89 T 5.1338 8.2853 115.3589 62.4213 71.8533 173.3354 90 T 4.4935 8.6149 117.1086 61.2949 71.9650 172.1426 91 G 4.3682 8.3697 111.4006 43.9759 0.0000 173.1188 92 A 4.6286 9.1447 128.2085 52.2294 19.4317 177.6338 93 L 4.6135 8.9225 119.2511 54.5331 43.0391 177.1444 94 V 4.3305 7.1339 112.6810 58.4369 34.5924 174.5621 95 P 4.2366 0.0000 0.0000 65.9608 31.1875 177.2690 96 Y 4.3060 7.5001 112.3225 57.8861 38.1490 175.0917 97 I 3.8745 6.4698 121.4334 59.8511 38.3606 175.2343 98 N 4.7263 8.7649 123.3511 51.8148 39.6402 174.9343 99 L 4.1841 8.1227 120.9791 56.4422 42.1392 178.0042 100 G 3.8427 9.1290 111.6164 44.6219 0.0000 173.4712 101 E 4.2105 7.6294 119.1973 56.0044 31.3971 174.9419 102 Y 5.4785 9.0038 117.6566 56.5243 41.9433 175.2993 103 I 4.9387 8.7741 121.8639 59.8438 40.7450 174.6798 104 I 4.4357 9.0116 129.3438 59.8922 38.4695 175.3709 105 V 4.5740 8.6375 128.9403 63.0139 31.7253 175.8212 106 T 4.4242 8.6496 117.2360 60.9536 69.9222 174.1950 107 G 4.2942 7.6533 109.7510 46.2554 0.0000 171.7616 108 A 5.4598 9.0096 121.6607 50.3094 21.7549 176.3700 109 S 4.8907 9.5179 119.5351 58.4844 64.8116 172.9261 110 Y 5.1858 7.8791 118.2929 56.5319 40.3915 173.3712 111 N 4.7101 8.9735 118.2599 52.1854 39.7501 175.5380 112 Q 4.2605 8.3416 121.8517 55.7380 29.7949 173.5747 113 G 3.6997 10.0783 103.5924 45.7324 0.0000 177.3641 114 G 3.4686 9.0075 106.5730 44.8928 0.0000 176.4137 115 L 3.8704 9.3652 129.5940 58.5145 42.0966 176.9091 116 F 4.2328 8.1246 116.7669 60.7052 38.8275 176.9449 117 Y 4.4928 8.4145 119.3112 60.9350 38.4130 177.9620 118 Q 3.6769 8.3572 118.4651 58.8247 28.7972 177.9970 119 Y 4.2099 7.8187 116.8523 60.8174 38.2853 177.6071 120 L 4.2015 8.3222 118.3932 55.3476 42.0218 178.4494 121 R 3.7933 9.3080 116.1229 56.1032 28.6023 174.9156 122 D 4.9259 7.5607 115.3163 53.4997 41.5331 174.6198 123 N 5.0146 8.6558 115.1011 53.2534 38.9882 175.4483 124 A 4.1562 8.2374 121.1614 52.6616 18.8982 179.1123 125 C 4.4544 8.2686 119.8148 58.3019 27.0052 172.6038 126 V 3.7120 8.0924 122.8682 61.6935 31.9734 175.4475 127 A 3.9608 8.7529 129.9132 53.1341 18.5594 177.4079 128 S 4.7157 8.7430 119.0505 57.0842 61.3757 172.6195 129 T 4.5839 7.8128 114.6266 58.2956 71.7004 172.6171 130 P 4.1242 0.0000 0.0000 61.2043 32.9312 175.0680 131 D 4.4259 9.1423 118.9398 53.9553 41.7496 176.1626 132 F 4.0596 9.1189 128.8643 61.5549 39.5822 176.7185 133 E 3.8992 8.4254 117.5016 59.5810 29.3522 179.1008 134 L 3.9395 8.3504 120.0646 58.5227 42.1123 179.1619 135 T 3.7989 7.9382 115.6460 66.6750 68.3208 176.4932 136 N 4.1882 7.8696 118.3751 56.0413 38.3541 177.6808 137 K 3.9489 7.8778 119.8252 59.1532 32.0287 179.3004 138 L 4.1747 7.7801 120.7082 57.1799 41.5629 179.5789 139 V 3.0309 7.4998 117.9882 66.2440 31.3724 178.0707 140 T 3.8491 7.8861 115.2585 66.9257 68.3820 176.8208 141 S 4.1273 8.2992 117.1313 61.6215 62.7625 176.8145 142 F 3.7399 8.5116 120.6554 60.0736 38.5566 177.8675 143 S 4.2994 8.2700 113.1735 61.3003 62.0757 176.0947 144 K 4.0176 8.3731 121.5104 58.8001 31.8541 177.8776 145 R 4.4001 7.4973 115.8190 54.6368 30.5723 175.6973 146 N 4.2514 7.9721 114.5972 54.2985 36.8552 174.1074 147 L 4.8073 7.9824 116.1195 53.5390 43.9057 177.4818 148 K 4.3996 8.8962 122.3897 56.0290 32.9517 175.4479 149 Y 5.6452 7.8593 122.4367 55.3811 41.6834 174.2882 150 Y 4.7884 9.3517 116.9876 56.2362 42.3044 174.6110 151 V 4.9019 8.3416 122.5209 61.3760 33.8004 174.8593 152 G 4.1164 8.2979 113.5159 46.1680 0.0000 171.8827 153 N 5.4210 8.2507 116.7426 53.0077 40.4053 175.0935 154 V 4.8598 8.7382 113.2012 59.6819 36.5762 174.3902 155 F 5.0046 8.7820 125.4592 57.1524 40.7201 175.0861 156 S 4.4172 8.5274 124.0549 57.3266 62.3890 173.9347 157 S 3.8111 8.1004 120.6185 57.5620 63.2532 174.2043 158 D 4.7031 8.8309 122.6967 54.2058 42.4706 176.6927 159 A 4.6499 7.6220 122.4072 49.2117 19.1729 175.7853 160 F 3.6961 8.8577 123.2236 61.4879 39.4542 175.9381 161 Y 4.5767 7.9462 113.5779 57.4273 38.1548 175.4966 162 A 4.1760 7.8719 126.4114 52.6871 19.0074 178.3230 163 E 4.2684 8.5984 118.3979 55.5717 30.9172 174.9706 164 D 4.5202 8.4219 121.6514 52.8475 42.0889 175.1661 165 E 3.9760 9.1458 128.5640 59.5010 29.5609 178.7385 166 E 4.6382 8.0453 113.8888 55.2732 30.4344 179.9195 167 F 3.9882 8.0587 122.2681 62.9732 39.2086 177.0459 168 V 3.7141 8.0418 116.4456 66.2201 31.5623 178.3470 169 K 4.0451 7.9314 118.9286 58.5425 32.0811 179.0542 170 K 3.5746 8.1913 120.3054 59.4319 32.1924 179.0290 171 W 4.2040 7.5990 119.1559 59.3115 28.9024 178.8179 172 S 4.9987 8.4401 116.1867 60.6133 62.4401 176.1514 173 S 4.4253 7.9924 115.8320 59.7270 62.9945 175.3340 174 R 4.4657 7.1681 119.9219 55.7046 30.0604 176.6762 175 G 3.9486 7.8264 106.1289 45.7600 0.0000 173.1453 176 N 5.1612 8.1604 117.2127 51.4919 40.3900 175.3875 177 I 4.4745 8.6956 114.9803 61.0515 39.4660 174.4885 178 A 5.0787 7.5836 123.8259 51.2963 23.0493 175.1325 179 V 4.9303 8.7391 118.3015 60.4309 34.8486 175.0411 180 E 4.8168 8.5022 120.7649 56.0830 32.4862 174.8658 181 M 4.9203 8.6261 115.8857 54.1609 34.2131 175.4423 182 E 4.4863 8.7685 117.7407 56.0831 32.2503 177.9165 183 C 3.3230 8.8032 117.5361 62.5122 28.0561 175.6270 184 A 4.3216 7.9305 123.7738 54.9174 17.4269 179.8721 185 T 3.5411 7.6854 113.4924 66.4783 68.5777 176.3043 186 L 3.8581 7.6657 122.1417 58.2397 42.1001 178.8930 187 F 4.5548 8.1106 117.7331 61.1366 38.9566 177.8259 188 T 3.8958 8.1030 115.0746 66.7462 68.2393 176.5697 189 L 3.5726 7.9330 122.1614 58.0283 41.9909 179.1844 190 S 3.9953 8.2621 115.3358 61.0967 62.4860 176.5460 191 K 3.8843 7.9500 122.5217 59.5689 31.7769 179.1690 192 V 3.3760 7.3661 117.2279 65.3750 31.5385 177.3383 193 K 3.9020 7.5139 115.9812 55.7732 31.9925 177.5909 194 G 3.8217 7.0426 106.9142 45.5617 0.0000 173.5337 195 W 5.0665 7.6847 118.5323 55.6487 30.8744 176.3080 196 K 4.6219 9.1446 122.5695 55.4736 32.9394 175.9633 197 S 6.0277 8.9571 119.9403 56.2001 67.7401 172.8049 198 A 4.8883 8.4712 121.8854 52.0980 23.1348 174.9058 199 T 5.1776 8.3313 113.2389 62.7940 73.4052 173.4998 200 V 4.9043 9.0460 125.0332 61.1094 35.1915 174.1345 201 L 5.2470 9.1403 126.4420 52.9567 45.7433 175.4695 202 V 4.3463 8.6662 123.3439 61.5786 33.3615 175.0082 203 V 4.3476 8.5764 129.2179 62.9397 31.8852 176.0663 204 S 4.6244 8.6400 122.3581 58.2489 64.1966 173.3811 205 D 4.4238 7.4576 118.8654 53.3122 44.3909 173.2659 206 N 5.1629 8.4174 121.5512 51.8896 41.1457 174.7811 207 L 3.8888 9.1044 126.8196 56.1388 42.2009 177.9222 208 A 4.2774 8.2715 121.1045 52.4318 19.4633 176.9878 209 K 4.3245 7.4163 116.5932 56.2725 34.6947 176.9434 210 G 3.9632 7.7043 112.2138 45.0317 0.0000 176.1902 211 G 4.3660 8.3830 111.1008 44.3503 0.0000 172.2073 212 I 4.0200 7.7867 118.4044 61.2017 38.0875 175.7402 213 W 5.0682 8.4432 121.5672 55.2001 33.0704 174.3356 214 I 4.8726 8.1678 110.6472 58.6274 40.0663 175.6661 215 T 4.1315 9.2749 119.4829 63.6323 70.2975 175.8061 216 K 4.0282 8.7424 123.2678 59.7404 32.0864 179.5284 217 E 4.0222 8.1453 117.3597 59.5451 29.7091 178.7800 218 E 3.9599 8.1696 119.1493 58.9797 29.3981 179.0605 219 L 3.9658 8.0199 120.4155 58.1481 42.2394 178.7800 220 E 3.9808 8.3030 118.5998 59.2315 29.2843 179.2711 221 K 3.9800 8.3396 119.8492 59.4728 32.0154 178.6648 222 S 4.3324 7.9048 114.3210 60.8765 62.2854 176.3935 223 V 3.9645 8.1907 121.0083 66.3411 31.3853 177.8626 224 M 4.1180 8.6932 118.7082 58.6361 31.7196 178.4067 225 D 4.4637 9.0696 119.7693 57.4659 40.9989 179.2857 226 G 3.8765 8.7851 107.2289 47.0906 0.0000 175.5181 227 A 3.3433 8.0453 123.1157 54.7134 18.3093 179.9134 228 K 3.7738 7.7266 116.1584 59.4879 32.1147 179.4720 229 A 3.9021 7.1377 122.3977 54.3561 18.0007 179.9161 230 V 3.4662 7.4927 116.7736 66.1431 31.5101 178.3127 231 L 3.6347 7.8187 119.0271 57.6308 41.2307 179.2972 232 D 4.4899 8.0605 118.9836 57.5313 40.5914 178.9485 233 T 3.9227 7.7312 116.1792 66.7760 68.3282 176.7392 234 L 4.0374 7.9928 119.8901 57.1327 41.5793 178.7773 235 T 4.5203 7.3598 107.0367 61.3562 69.1509 174.5860 236 S 4.3605 7.9944 122.1052 58.8295 63.3493 173.8255 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 *2 N 8.42 4.75 0.00 2.76 2.70 0.00 0.00 6.73 6.86 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 3 P 0.00 4.34 0.00 2.25 2.15 0.00 3.61 0.00 0.00 3.66 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 4 V 9.27 4.25 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 0.67 0.00 0.00 0.90 0.00 0.00 5 H 8.63 4.61 0.00 3.16 3.35 0.00 5.88 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 6 I 8.91 4.20 1.90 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 0.65 0.89 0.00 0.00 7 L 8.20 4.55 0.00 1.63 1.66 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.68 4.54 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 9 K 8.49 4.38 0.00 2.18 1.72 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.41 7.81 10 K 8.29 4.15 0.00 1.71 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 G 9.11 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.87 4.43 0.00 2.23 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 2.25 2.21 0.00 13 V 7.41 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 0.78 0.00 0.00 0.91 0.00 0.00 14 A 8.57 4.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.51 4.24 0.00 1.86 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 2.47 2.13 0.00 16 R 7.77 4.72 0.00 1.68 1.76 0.00 3.03 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 17 V 8.74 4.84 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.76 0.00 0.00 18 L 9.04 5.01 0.00 1.69 1.52 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.72 5.09 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 0.82 0.00 0.00 1.09 0.00 0.00 20 V 8.90 4.65 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 0.86 0.00 0.00 1.09 0.00 0.00 21 G 8.56 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.91 5.04 0.00 2.64 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 23 P 0.00 5.01 0.00 2.30 2.43 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.82 0.00 24 G 8.98 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 3.95 0.00 1.91 2.09 0.00 3.10 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 26 A 8.00 4.02 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 0.00 0.00 0.00 0.00 0.00 27 R 7.76 3.15 0.00 1.95 2.10 0.00 3.28 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 1.55 1.68 0.00 28 L 7.94 4.02 0.00 1.80 1.86 0.94 0.48 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 29 L 8.28 3.90 0.00 1.70 1.67 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.70 4.06 0.00 3.70 3.36 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 31 T 7.13 3.97 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 1.15 0.00 0.00 32 L 7.94 4.33 0.00 1.74 1.87 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.15 4.79 0.00 1.76 1.65 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.06 4.28 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.31 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 35 N 8.85 4.28 0.00 2.82 2.83 0.00 0.00 7.20 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 36 P 0.00 4.56 0.00 2.12 2.07 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 37 K 8.86 4.70 0.00 1.78 1.68 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.51 7.81 38 L 8.81 4.22 0.00 1.51 1.52 0.13 0.87 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 39 T 8.67 4.43 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 40 N 7.24 4.52 0.00 2.71 2.59 0.00 0.00 6.65 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 41 E 8.37 4.64 0.00 2.08 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 2.21 2.25 0.00 42 N 7.81 4.44 0.00 2.83 2.98 0.00 0.00 7.17 7.53 0.00 0.00 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 R 9.69 3.88 0.00 2.26 2.05 0.00 3.54 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 44 G 8.16 3.77 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 0.00 0.00 0.00 45 F 7.74 4.64 0.00 3.06 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 46 L 8.00 4.24 0.00 1.72 1.52 1.11 0.73 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 47 V 8.59 4.81 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 0.98 0.00 0.00 1.02 0.00 0.00 48 Y 9.43 5.23 0.00 2.93 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 49 T 9.19 5.01 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 50 G 9.01 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 51 K 8.33 5.34 0.00 1.71 1.69 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 52 Y 9.20 4.49 0.00 2.98 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 53 N 9.26 3.79 0.00 3.04 2.92 0.00 0.00 7.16 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 54 G 8.47 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 55 E 7.86 4.70 0.00 2.18 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 0.00 2.19 2.27 0.00 56 T 8.33 4.66 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 1.25 0.00 0.00 57 V 8.85 4.71 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 1.03 0.00 0.00 0.91 0.00 0.00 58 S 8.76 5.31 0.00 3.78 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 59 I 9.15 5.08 1.99 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 1.16 0.72 0.98 0.00 0.00 60 A 8.96 5.29 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 61 T 8.62 5.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 62 H 9.20 4.75 0.00 2.98 3.35 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.84 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 64 I 8.48 4.51 1.85 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 1.31 0.66 0.87 0.00 0.00 65 G 9.40 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.67 3.64 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 0.00 67 P 0.00 4.22 0.00 2.16 2.11 0.00 3.53 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 68 S 7.92 4.03 0.00 3.95 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 69 I 7.82 3.57 1.63 0.00 0.00 0.51 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 1.14 0.84 0.00 0.00 70 A 8.22 3.91 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 71 I 7.41 3.55 1.82 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 1.31 0.95 0.53 0.00 0.00 72 V 7.34 3.29 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 1.01 0.00 0.00 0.32 0.00 0.00 73 L 7.97 3.34 0.00 1.64 0.98 0.73 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.20 4.18 0.00 2.22 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 2.63 2.67 0.00 75 E 8.19 4.01 0.00 1.94 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 0.00 2.32 2.57 0.00 76 L 8.08 3.96 0.00 1.85 1.78 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.99 4.70 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 M 7.91 4.15 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.64 0.00 79 L 7.22 4.55 0.00 1.74 1.66 0.97 1.29 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 80 G 8.27 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 81 A 8.08 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.65 4.78 0.00 2.82 2.99 0.00 0.00 6.37 7.20 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 83 V 6.97 4.70 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 0.86 0.00 0.00 0.87 0.00 0.00 84 F 9.35 5.45 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 85 I 8.71 4.98 1.91 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 1.17 0.94 0.98 0.00 0.00 86 R 9.11 4.71 0.00 1.93 1.85 0.00 2.94 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 87 Y 9.31 5.31 0.00 3.06 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 88 G 8.50 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.29 5.13 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 1.18 0.00 0.00 90 T 8.61 4.49 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 1.23 0.00 0.00 91 G 8.37 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 0.00 0.00 0.00 0.00 92 A 9.14 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.92 4.61 0.00 1.47 1.72 1.10 1.00 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 94 V 7.13 4.33 1.43 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 0.92 0.00 0.00 0.13 0.00 0.00 95 P 0.00 4.24 0.00 2.07 2.12 0.00 3.62 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 2.05 2.06 0.00 96 Y 7.50 4.31 0.00 3.07 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 97 I 6.47 3.87 1.40 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.65 0.00 0.00 98 N 8.76 4.73 0.00 3.12 2.74 0.00 0.00 6.57 6.85 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 99 L 8.12 4.18 0.00 1.58 1.49 0.87 0.78 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 0.00 100 G 9.13 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 E 7.63 4.21 0.00 2.18 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 2.36 2.41 0.00 102 Y 9.00 5.48 0.00 3.06 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 0.00 103 I 8.77 4.94 1.95 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 1.37 0.93 1.00 0.00 0.00 104 I 9.01 4.44 1.81 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.75 0.77 0.00 0.00 105 V 8.64 4.57 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.04 0.00 0.00 106 T 8.65 4.42 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 1.24 0.00 0.00 107 G 7.65 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 0.00 108 A 9.01 5.46 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 0.00 109 S 9.52 4.89 0.00 3.92 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 0.00 110 Y 7.88 5.19 0.00 2.85 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 0.00 111 N 8.97 4.71 0.00 2.96 2.93 0.00 0.00 6.97 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 0.00 112 Q 8.34 4.26 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 113 G 10.08 3.70 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 0.00 0.00 0.00 114 G 9.01 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 9.37 3.87 0.00 1.63 1.42 0.79 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.12 4.23 0.00 3.54 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 0.00 117 Y 8.41 4.49 0.00 3.14 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 0.00 118 Q 8.36 3.68 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 119 Y 7.82 4.21 0.00 3.02 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 0.00 120 L 8.32 4.20 0.00 1.85 1.83 1.14 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 R 9.31 3.79 0.00 1.96 2.06 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 122 D 7.56 4.93 0.00 2.87 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 0.00 123 N 8.66 5.01 0.00 2.77 3.23 0.00 0.00 6.77 7.35 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 0.00 124 A 8.24 4.16 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 0.00 125 C 8.27 4.45 0.00 2.96 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 0.00 126 V 8.09 3.71 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 0.83 0.00 0.00 1.02 0.00 0.00 127 A 8.75 3.96 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 0.00 128 S 8.74 4.72 0.00 4.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.81 4.58 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 1.23 0.00 0.00 130 P 0.00 4.12 0.00 1.99 1.17 0.00 3.50 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 131 D 9.14 4.43 0.00 2.79 2.61 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 0.00 132 F 9.12 4.06 0.00 3.06 3.03 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 0.00 0.00 0.00 133 E 8.43 3.90 0.00 2.29 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 2.52 2.53 0.00 134 L 8.35 3.94 0.00 1.93 1.66 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.94 3.80 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 1.09 0.00 0.00 136 N 7.87 4.19 0.00 2.59 2.68 0.00 0.00 7.04 7.64 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 0.00 137 K 7.88 3.95 0.00 1.98 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.59 7.81 138 L 7.78 4.17 0.00 1.82 1.55 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.50 3.03 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 0.94 0.00 0.00 0.80 0.00 0.00 140 T 7.89 3.85 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 1.19 0.00 0.00 141 S 8.30 4.13 0.00 3.98 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 0.00 142 F 8.51 3.74 0.00 2.81 3.03 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 0.00 0.00 0.00 143 S 8.27 4.30 0.00 4.14 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 0.00 144 K 8.37 4.02 0.00 1.95 1.79 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 145 R 7.50 4.40 0.00 1.71 1.79 0.00 3.05 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 146 N 7.97 4.25 0.00 2.86 2.90 0.00 0.00 6.83 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 0.00 147 L 7.98 4.81 0.00 1.86 1.95 0.26 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.90 4.40 0.00 1.82 1.72 0.00 1.88 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.50 7.81 149 Y 7.86 5.65 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 0.00 150 Y 9.35 4.79 0.00 3.04 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 0.00 151 V 8.34 4.90 2.20 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 0.87 0.00 0.00 1.15 0.00 0.00 152 G 8.30 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 0.00 153 N 8.25 5.42 0.00 2.95 2.94 0.00 0.00 6.58 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 0.00 154 V 8.74 4.86 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.00 0.00 0.00 155 F 8.78 5.00 0.00 2.51 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.53 4.42 0.00 3.66 3.66 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 0.00 157 S 8.10 3.81 0.00 3.25 3.38 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 0.00 158 D 8.83 4.70 0.00 2.77 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 0.00 159 A 7.62 4.65 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 0.00 160 F 8.86 3.70 0.00 2.84 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 0.00 161 Y 7.95 4.58 0.00 3.11 2.99 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 0.00 162 A 7.87 4.18 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 0.00 163 E 8.60 4.27 0.00 2.00 1.74 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 2.21 1.86 0.00 164 D 8.42 4.52 0.00 2.87 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 0.00 165 E 9.15 3.98 0.00 2.13 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 2.31 2.34 0.00 166 E 8.05 4.64 0.00 1.89 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 2.14 2.08 0.00 167 F 8.06 3.99 0.00 3.46 3.16 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 0.00 168 V 8.04 3.71 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.18 0.00 0.00 169 K 7.93 4.05 0.00 1.80 1.78 0.00 1.99 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.35 7.81 170 K 8.19 3.57 0.00 1.48 1.45 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.86 7.81 171 W 7.60 4.20 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 S 8.44 5.00 0.00 4.07 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 0.00 173 S 7.99 4.43 0.00 3.99 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 7.17 4.47 0.00 2.02 1.99 0.00 2.33 0.00 0.00 2.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 175 G 7.83 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 0.00 176 N 8.16 5.16 0.00 3.10 2.83 0.00 0.00 6.65 7.17 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 0.00 177 I 8.70 4.47 1.82 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 1.39 0.94 0.99 0.00 0.00 178 A 7.58 5.08 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 0.00 179 V 8.74 4.93 2.25 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 0.91 0.00 0.00 1.00 0.00 0.00 180 E 8.50 4.82 0.00 2.01 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 2.13 2.25 0.00 181 M 8.63 4.92 0.00 1.96 2.02 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 2.48 2.55 0.00 182 E 8.77 4.49 0.00 1.83 1.69 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 1.98 2.15 0.00 183 C 8.80 3.32 0.00 2.82 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 0.00 0.00 0.00 0.00 184 A 7.93 4.32 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 0.00 185 T 7.69 3.54 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 1.00 0.00 0.00 186 L 7.67 3.86 0.00 1.54 1.44 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 187 F 8.11 4.55 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 T 8.10 3.90 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 1.29 0.00 0.00 189 L 7.93 3.57 0.00 1.41 1.56 -0.15 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.26 4.00 0.00 4.25 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 0.00 191 K 7.95 3.88 0.00 2.16 1.78 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 192 V 7.37 3.38 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 0.77 0.00 0.00 0.84 0.00 0.00 193 K 7.51 3.90 0.00 0.79 0.74 0.00 1.63 0.00 0.00 1.43 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.75 0.31 7.81 194 G 7.04 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 0.00 195 W 7.68 5.07 0.00 3.55 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 0.00 196 K 9.14 4.62 0.00 1.75 1.81 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 197 S 8.96 6.03 0.00 4.02 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 0.00 198 A 8.47 4.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 T 8.33 5.18 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 200 V 9.05 4.90 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 0.79 0.00 0.00 0.76 0.00 0.00 201 L 9.14 5.25 0.00 1.61 1.49 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 202 V 8.67 4.35 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 0.81 0.00 0.00 0.96 0.00 0.00 203 V 8.58 4.35 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 0.82 0.00 0.00 0.91 0.00 0.00 204 S 8.64 4.62 0.00 3.68 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 D 7.46 4.42 0.00 2.55 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 N 8.42 5.16 0.00 2.67 2.56 0.00 0.00 7.02 6.66 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 0.00 207 L 9.10 3.89 0.00 1.70 1.74 0.93 0.67 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 0.00 208 A 8.27 4.28 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 0.00 209 K 7.42 4.32 0.00 1.48 1.66 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.34 7.81 210 G 7.70 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 G 8.38 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 0.00 0.00 0.00 0.00 212 I 7.79 4.02 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.51 0.97 0.00 0.00 213 W 8.44 5.07 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 0.00 214 I 8.17 4.87 1.90 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 1.35 0.37 1.00 0.00 0.00 215 T 9.27 4.13 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 1.32 0.00 0.00 216 K 8.74 4.03 0.00 1.89 1.91 0.00 1.69 0.00 0.00 2.02 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.66 7.81 217 E 8.15 4.02 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 218 E 8.17 3.96 0.00 2.20 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 0.00 2.43 2.41 0.00 219 L 8.02 3.97 0.00 1.91 1.77 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 220 E 8.30 3.98 0.00 2.10 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 2.65 0.00 221 K 8.34 3.98 0.00 1.86 2.01 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.49 7.81 222 S 7.90 4.33 0.00 3.92 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 0.00 223 V 8.19 3.96 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 1.12 0.00 0.00 0.96 0.00 0.00 224 M 8.69 4.12 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.87 0.00 225 D 9.07 4.46 0.00 3.02 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 0.00 226 G 8.79 3.88 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 0.00 227 A 8.05 3.34 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 0.00 228 K 7.73 3.77 0.00 1.87 1.82 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 229 A 7.14 3.90 0.20 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 0.00 230 V 7.49 3.47 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 0.99 0.00 0.00 0.75 0.00 0.00 231 L 7.82 3.63 0.00 1.00 0.13 0.55 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 232 D 8.06 4.49 0.00 2.79 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 0.00 233 T 7.73 3.92 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 1.19 0.00 0.00 234 L 7.99 4.04 0.00 1.71 1.67 0.84 0.69 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 0.00 235 T 7.36 4.52 4.32 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 1.32 0.00 0.00 236 S 7.99 4.36 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.