NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3525 8.4444 118.9338 55.7411 31.9680 175.5008 2 V 3.5954 7.4212 121.5774 62.8265 31.7585 173.7242 3 Q 4.4600 10.1131 127.9158 54.3077 33.3860 173.5168 4 L 4.8656 8.6914 124.4887 53.4637 43.5700 175.1264 5 Q 4.8674 8.8950 124.2536 54.3953 30.6948 175.3079 6 Q 5.3443 8.6555 122.4505 53.6124 32.1270 175.3742 7 S 4.3477 8.4964 116.6169 58.4388 64.1474 173.9472 8 G 3.9795 8.2845 106.9889 45.8819 0.0000 172.6942 9 T 4.5868 8.5038 117.5154 63.4431 69.0710 174.7561 10 V 4.3782 8.9567 127.5208 59.9253 33.9291 174.9010 11 L 5.1985 8.7372 124.6107 53.2581 43.0735 175.2603 12 A 4.8575 8.8280 126.7117 49.8659 21.6058 176.2058 13 R 5.3010 8.7697 120.4918 54.5870 31.6468 174.7059 14 P 4.3575 0.0000 0.0000 64.3335 32.0057 176.8995 15 G 3.8507 10.6204 109.3351 45.1988 0.0000 173.3107 16 A 4.4945 7.3896 121.6241 51.1572 21.0841 175.8265 17 S 5.1482 8.5256 110.9466 56.5841 65.7155 174.1694 18 V 4.3801 9.3011 126.2206 59.7984 34.0323 174.1106 19 K 4.9586 8.7908 127.5604 54.9879 33.2211 175.0642 20 M 5.0428 9.1523 125.9453 53.5313 34.4213 175.2201 21 S 4.9269 8.5196 115.6661 57.6880 66.5683 172.7151 22 C 5.1779 8.3215 120.7254 55.4306 45.8916 170.7253 23 K 4.4123 8.9484 124.6295 55.7027 32.7601 175.7874 24 A 5.0550 8.4435 130.0363 50.9028 20.3879 176.1684 25 S 4.2592 8.8276 110.5792 58.7715 65.6826 176.7354 26 G 3.9210 10.5114 109.7640 45.6505 0.0000 172.2777 27 Y 4.5307 7.0234 114.8950 55.6776 40.2759 174.2344 28 S 4.1494 8.5851 115.1588 57.7633 61.4837 174.0916 29 F 3.9855 8.6970 131.2383 61.5413 39.0237 177.0870 30 T 3.7526 7.6828 105.9191 62.3989 68.5836 174.5503 31 S 4.8546 7.5068 116.6974 57.4396 63.4364 173.6339 32 F 4.9414 7.0258 117.3336 55.2481 42.8778 174.1548 33 W 4.8068 9.1153 123.0362 56.5358 30.5166 174.9051 34 M 4.7884 9.2713 126.1831 54.9122 33.0721 174.6812 35 H 5.5016 9.3732 123.6754 54.1335 32.1294 173.7838 36 W 5.3005 8.9160 120.1455 54.9877 32.6425 174.7375 37 V 4.9585 9.2210 123.7816 61.0126 34.6352 173.9079 38 K 4.9545 9.4394 128.3484 54.7713 35.2592 174.8239 39 Q 4.7999 8.7204 127.1677 54.0579 30.9284 174.4426 40 R 4.2327 8.7629 125.3539 55.9863 31.1177 176.7082 41 P 4.1730 0.0000 0.0000 65.3234 31.4959 177.4939 42 G 3.9948 8.0405 103.4398 45.1494 0.0000 172.7381 43 Q 4.4586 7.4135 117.0238 54.1885 30.8294 175.0230 44 G 3.9137 8.2306 106.2894 45.3892 0.0000 172.3995 45 L 4.6509 8.3459 118.9421 54.1247 42.8381 176.0400 46 E 4.9115 9.1782 122.4376 54.1104 32.6759 175.0271 47 W 4.3844 9.1890 135.0000 57.8336 31.0607 175.1172 48 I 3.3163 8.6307 130.5386 61.5701 36.9875 177.2970 49 G 3.1221 6.3698 105.7761 45.8684 0.0000 170.5836 50 T 5.3594 8.3723 113.6264 60.4261 71.0559 172.3340 51 I 5.1109 9.0781 128.4393 59.4526 41.0281 173.5109 52 Y 4.0777 8.2488 130.2433 54.9150 39.7113 173.5154 52A P 3.9467 0.0000 0.0000 63.4349 31.9427 176.7614 53 G 3.6616 8.7023 106.8483 46.1997 0.0000 173.4470 54 N 4.4334 8.5197 124.7768 52.5193 40.8959 174.4515 55 S 3.7620 7.9594 111.7089 59.4742 61.4381 171.8330 56 D 4.7773 8.3458 119.9220 54.8710 42.0331 175.1279 57 T 5.4304 8.4776 112.8642 60.4645 72.7282 173.3398 58 S 4.5809 8.6576 117.2777 57.8265 65.4969 172.6295 59 Y 5.0396 8.7902 124.5607 56.0834 40.8762 175.0026 60 N 4.9106 8.8545 120.1652 53.5316 40.2423 175.5974 61 Q 4.0277 9.2658 126.3602 59.5948 28.8474 178.7711 62 K 3.6694 7.7892 118.8287 59.3617 32.3155 177.7200 63 F 4.5960 8.1929 115.5326 58.0131 39.0494 178.0907 64 K 3.7094 7.6606 117.8141 59.2807 31.9568 177.5889 65 G 3.7542 7.6792 105.8915 46.0158 0.0000 174.5403 66 K 3.9790 7.9357 121.2409 58.3693 32.6984 175.6103 67 A 4.9450 8.1633 120.4905 49.9661 20.8129 175.8049 68 K 4.3960 9.1778 125.6671 54.8371 33.8478 175.0067 69 L 4.9839 9.6832 130.1131 54.2021 42.4990 176.5739 70 T 4.9905 8.9389 112.9866 60.2548 73.0231 172.4555 71 A 5.3751 8.5507 121.9868 50.8196 22.5390 176.1684 72 V 4.4214 9.1962 122.2533 61.0778 32.5699 176.2605 73 T 4.1810 8.8796 119.9447 64.5051 68.6929 176.2717 74 S 4.2728 8.1455 114.5449 59.4617 63.4919 174.1896 75 A 4.4866 7.9689 122.4092 51.1501 20.3286 175.9503 76 S 2.7900 7.2938 111.1959 59.3000 61.2400 172.3181 77 T 4.7042 6.9923 114.3015 61.6381 72.5378 174.3360 78 A 5.1454 8.5505 128.2680 51.5631 20.6831 175.6836 79 Y 5.3539 9.8989 119.1270 56.6372 42.7758 174.6715 80 M 4.6889 8.6912 120.8752 54.2037 35.8732 172.9628 81 E 4.9416 8.8462 127.8180 54.4834 32.0678 174.3967 82 V 4.7150 8.3913 127.9327 61.3102 33.3399 174.7840 82A S 4.8835 8.3636 121.8340 55.8374 66.1439 173.7741 82B S 3.8960 8.2827 112.6703 58.3656 59.6889 173.6544 82C L 4.3203 8.8230 122.0174 55.2969 42.3248 177.6779 83 T 4.9088 9.6344 115.7564 59.5418 71.7923 174.1858 84 N 4.3377 8.6584 118.2765 57.0593 39.0202 176.9722 85 E 4.2004 7.6584 115.3482 58.4697 29.5386 177.3829 86 D 4.7363 7.6135 117.6409 55.3545 41.4068 176.6078 87 S 4.7195 8.2881 116.3253 58.4037 63.3892 173.5592 88 A 4.2040 7.9781 125.2060 51.8554 22.8204 173.9036 89 V 4.4919 7.7013 117.7681 61.4870 33.8932 174.4336 90 Y 5.1248 8.7599 125.5766 56.4885 40.4878 174.0807 91 Y 5.4618 8.9578 122.3677 56.3365 41.0613 172.1676 92 C 4.4354 8.9578 118.9898 53.7789 40.8711 172.7294 93 T 4.7006 8.3485 117.2346 59.9729 70.9432 172.0153 94 R 4.8370 8.4822 126.5366 54.7677 32.3822 175.2418 95 R 4.8370 8.6502 127.3602 54.9657 30.3924 176.1505 96 S 4.4568 9.2490 122.9142 57.1949 64.9182 175.6236 97 G 4.5003 9.0414 115.7068 45.3528 0.0000 176.2404 98 Y 3.7608 8.3954 124.1911 56.7472 38.5847 172.3478 99 K 2.6711 6.2041 126.7047 55.3028 29.1745 176.2752 100 Y 4.3986 6.3503 117.5928 59.4985 39.8914 175.8821 100I Y 4.2188 7.5168 115.0972 56.5329 35.5356 167.9432 100J A 4.3656 6.9863 122.3845 51.8399 22.3386 176.3198 100K L 5.1201 8.5949 119.9638 53.4569 40.0834 176.5914 101 D 4.5117 8.2385 122.5503 54.2355 40.6479 176.8421 102 Y 4.6767 7.5978 117.1811 55.8681 41.5885 174.5706 103 W 5.2664 8.9095 121.7276 54.9474 33.4581 174.9364 104 G 4.4368 8.7959 109.6366 44.6877 0.0000 174.9867 105 Q 4.0841 8.7969 117.9838 57.3278 28.8259 177.8730 106 G 4.0632 8.1879 103.5236 46.0007 0.0000 172.6946 107 T 4.6343 8.8990 116.7976 61.5184 71.6531 173.1058 108 S 4.9868 8.7403 121.7545 57.2155 64.0299 172.5153 109 V 4.9353 8.6484 127.6555 61.4748 34.0008 174.1842 110 T 4.7474 9.3320 124.9838 61.8730 71.0263 173.6091 111 V 4.6218 9.9687 128.5285 62.4097 31.9304 174.9848 112 S 4.6760 9.1935 122.2166 57.5733 65.9583 175.2273 113 S 4.4120 8.5620 117.7588 58.2000 63.6483 174.4497 114 A 3.7663 7.5330 125.6622 52.0623 18.3745 177.2163 115 K 4.5498 8.0026 120.3139 55.0737 34.9474 176.1036 116 T 4.5975 8.4508 116.4417 64.1954 68.9927 174.4225 117 T 4.7685 9.2169 123.2954 61.3711 72.0859 173.9121 118 A 4.5341 8.7522 127.9242 51.0681 19.4304 175.0104 119 P 4.6418 0.0000 0.0000 62.0705 33.3918 175.9709 120 S 4.3912 8.4610 115.9899 56.9667 65.2001 173.7075 121 V 4.4103 7.9770 125.4302 61.4229 32.6337 174.4418 122 Y 5.2163 8.8580 126.1351 55.5709 40.8781 173.2419 123 P 4.8213 0.0000 0.0000 62.5203 33.2594 176.1337 124 L 4.7729 8.5688 122.5002 52.8404 42.6510 175.2608 125 A 4.5718 8.3324 124.4387 50.0698 19.7995 175.4068 126 P 4.5017 0.0000 0.0000 62.3005 33.5488 179.1012 127 V 3.5571 8.2545 114.2983 65.3577 30.3642 178.3351 128 C 4.8137 8.8680 119.7843 56.8677 34.0052 171.9047 129 G 3.7477 8.2712 108.5761 46.8125 0.0000 170.0226 130 D 4.6987 8.5687 124.2368 54.0307 40.9390 174.3608 129 G 3.7477 8.2712 108.5761 46.8125 0.0000 170.0226 130 S 4.5287 8.5387 119.5368 58.1307 63.6390 172.6608 137 S 4.9842 7.8718 114.5112 56.3658 66.2825 174.1631 138 V 4.4061 8.8818 121.7500 60.2932 33.9298 174.6622 139 T 4.5608 8.5818 122.8936 62.8970 69.4782 174.0970 140 L 4.5903 8.3465 125.9607 53.0979 46.1564 174.8902 141 G 4.5498 7.8291 104.5894 46.6084 0.0000 171.5540 142 C 5.5509 9.3711 119.0882 54.5726 42.9295 172.4025 143 L 5.0972 8.9678 126.0994 53.3683 44.7091 175.1591 144 V 4.7756 9.3604 127.9772 61.1182 33.4587 174.4678 145 K 4.9984 8.8087 127.1663 55.4616 36.6372 175.7569 146 G 4.1389 8.6816 106.7742 47.3284 0.0000 172.9319 147 Y 5.2553 7.3269 115.5462 55.1720 42.0785 175.1746 148 F 5.1308 9.4693 122.8685 56.8735 43.3049 171.6874 149 P 4.3622 0.0000 0.0000 60.5594 33.9035 174.5396 150 E 3.9505 8.1291 118.3895 56.1301 29.8194 174.3640 151 P 4.8853 0.0000 0.0000 61.0135 34.0673 174.0079 152 V 4.6550 7.8238 109.9573 59.6923 35.4778 175.4795 153 T 4.5407 8.5496 112.7146 59.7514 71.7708 172.4613 154 L 5.5681 8.4446 127.0230 52.2666 45.0044 175.0948 *156 T 4.7417 8.3104 115.3703 61.5922 70.9829 172.8810 157 W 4.9403 8.5004 122.8857 54.7952 31.1497 176.6689 *162 N 4.3534 8.2885 125.6166 53.6830 39.3542 175.8535 163 S 3.6779 9.5525 110.3259 59.2815 61.5260 173.3237 164 G 4.0912 8.3482 107.2478 45.8271 0.0000 175.8033 165 S 4.2216 8.2192 115.8958 60.7469 63.0296 174.5788 166 L 4.6920 7.7386 120.4937 53.2417 42.6519 175.8988 167 S 4.7136 8.3476 114.2121 59.2324 68.3066 174.9240 168 S 4.2738 7.9192 116.2656 59.0017 63.5043 174.5831 169 G 3.7712 8.5154 111.8023 45.6391 0.0000 173.0196 *171 V 4.1947 7.3974 118.2837 63.1697 32.7049 174.6144 172 H 4.5132 9.9425 124.8419 54.3831 31.7498 172.1086 173 T 4.7321 8.1707 120.3772 62.1923 69.3157 174.7627 174 F 4.6697 8.8718 126.0966 55.2923 40.6392 174.4922 175 P 4.2876 0.0000 0.0000 62.9359 31.7262 176.2898 176 A 4.6690 8.5755 124.4985 52.1945 19.2936 176.8277 177 V 4.5670 8.8335 120.1760 61.0509 35.4998 174.2568 178 L 5.0342 8.3534 126.2081 53.3158 42.6150 176.4350 179 Q 4.1024 8.1269 124.9338 54.5945 30.1772 171.1607 180 S 3.4120 8.3420 122.3820 57.6760 59.9702 171.0972 *183 D 4.4029 8.2449 124.6728 51.8816 41.3304 175.5354 184 L 4.9384 7.8121 119.1434 53.0824 45.7812 174.9063 185 Y 4.9002 8.4107 117.3211 56.8871 40.8459 175.4333 186 T 5.2529 8.8017 117.4597 62.0142 72.7793 172.9269 187 L 5.4189 10.0701 128.6487 53.4152 46.0616 175.1457 188 S 5.3612 8.6951 117.0376 57.0180 67.2074 172.4631 189 S 5.4270 9.2699 115.3408 56.8966 65.9288 172.5302 190 S 5.4522 9.8899 122.5414 56.5686 65.7837 173.3808 191 V 4.4195 8.4986 122.6765 60.1986 33.5285 174.5705 192 T 4.9186 8.3678 123.8612 61.8371 69.5062 174.9272 193 V 4.6237 8.1520 125.8238 59.3679 34.9684 175.6753 194 T 4.6073 8.5549 112.4291 61.9983 69.1747 174.9478 195 S 4.1165 8.9062 119.7950 62.1094 63.0259 176.1591 196 S 4.2003 7.9453 112.7030 60.5584 63.5984 175.8244 *198 T 4.5594 7.8527 117.3713 62.9631 70.0537 173.2787 199 W 5.0463 7.4829 128.7013 54.7089 33.1439 173.4452 200 P 2.9945 0.0000 0.0000 63.9105 31.0473 177.0613 *202 S 4.4343 7.8690 114.4752 57.9712 64.7446 173.7164 203 Q 4.7466 8.1937 118.0958 53.5216 31.8361 175.6787 204 S 4.3436 8.9177 118.3264 58.7555 63.3725 173.5534 205 I 4.5878 8.7786 127.6049 59.9775 39.4018 174.2975 206 T 4.6970 8.3624 123.6546 62.5636 70.8949 174.6274 *208 C 4.5171 8.4300 123.4916 56.6885 40.8858 172.0307 209 N 5.2235 8.6813 125.1500 51.7949 39.5758 174.0365 210 V 4.6665 9.4027 125.4411 60.8510 34.0289 174.2019 211 A 4.8352 9.1704 129.5005 50.5346 22.1845 174.3563 212 H 4.8970 9.6046 123.4060 53.2789 31.2099 172.1155 213 P 4.1157 0.0000 0.0000 65.4434 31.2979 178.9055 214 A 3.8316 7.7990 120.7082 54.0332 18.3965 177.8741 215 S 4.5082 7.7736 107.7220 57.3667 64.4490 173.4624 216 S 3.8101 8.0401 116.5240 60.3461 60.1442 172.2206 217 T 4.6466 8.1763 116.4225 61.5524 72.5381 174.9186 218 K 4.8834 8.6853 126.7980 54.6385 34.7396 175.2428 219 V 4.4386 9.8330 127.5762 61.1526 34.6678 173.6575 220 D 5.1500 8.7248 126.9192 52.5110 43.1912 176.0011 221 K 4.3896 9.0681 123.8812 54.3252 34.4167 175.2658 222 K 4.3293 8.6415 129.5997 56.2586 33.0045 177.1373 223 I 4.0407 8.8402 129.3005 60.9707 36.5434 175.2597 *226 E 4.9520 8.1834 125.2205 55.7417 30.8646 174.6159 227 P 4.7267 0.0000 0.0000 63.0764 31.5718 176.3668 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 1 E 8.44 4.35 0.00 1.97 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 2.14 2.39 0.00 2 V 7.42 3.60 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.20 0.00 0.00 3 Q 10.11 4.46 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 4 L 8.69 4.87 0.00 1.75 1.56 0.78 0.83 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 5 Q 8.89 4.87 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 6 Q 8.66 5.34 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 7 S 8.50 4.35 0.00 3.97 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 8 G 8.28 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 9 T 8.50 4.59 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 1.24 0.00 0.00 10 V 8.96 4.38 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 0.92 0.00 0.00 0.98 0.00 0.00 11 L 8.74 5.20 0.00 1.64 1.87 0.92 0.82 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 12 A 8.83 4.86 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 13 R 8.77 5.30 0.00 1.79 1.85 0.00 3.41 0.00 0.00 3.35 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.49 0.00 14 P 0.00 4.36 0.00 2.16 2.04 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 15 G 10.62 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 16 A 7.39 4.49 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.53 5.15 0.00 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 9.30 4.38 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 0.66 0.00 0.00 0.95 0.00 0.00 19 K 8.79 4.96 0.00 1.92 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.54 7.81 20 M 9.15 5.04 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 21 S 8.52 4.93 0.00 3.59 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 22 C 8.32 5.18 0.00 2.88 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 23 K 8.95 4.41 0.00 1.79 1.61 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.36 7.81 24 A 8.44 5.05 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 25 S 8.83 4.26 0.00 3.81 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 26 G 10.51 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 27 Y 7.02 4.53 0.00 2.93 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 28 S 8.59 4.15 0.00 3.96 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.70 3.99 0.00 2.71 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 30 T 7.68 3.75 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 1.13 0.00 0.00 31 S 7.51 4.85 0.00 3.13 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.03 4.94 0.00 3.24 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 33 W 9.12 4.81 0.00 3.51 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 34 M 9.27 4.79 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.54 0.00 35 H 9.37 5.50 0.00 3.00 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.92 5.30 0.00 3.13 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 37 V 9.22 4.96 2.47 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 1.37 0.00 0.00 1.19 0.00 0.00 38 K 9.44 4.95 0.00 1.95 1.72 0.00 2.02 0.00 0.00 2.03 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.25 1.21 7.81 39 Q 8.72 4.80 0.00 2.23 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 40 R 8.76 4.23 0.00 1.84 1.86 0.00 3.29 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 41 P 0.00 4.17 0.00 2.08 2.15 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 42 G 8.04 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 43 Q 7.41 4.46 0.00 2.25 2.18 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 2.33 2.34 0.00 44 G 8.23 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.35 4.65 0.00 1.79 1.82 0.95 0.98 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 46 E 9.18 4.91 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 2.39 2.36 0.00 47 W 9.19 4.38 0.00 3.35 3.28 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 48 I 8.63 3.32 1.66 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 -0.30 0.38 0.36 0.00 0.00 49 G 6.37 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.37 5.36 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 1.43 0.00 0.00 51 I 9.08 5.11 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 1.07 1.90 1.11 0.00 0.00 52 Y 8.25 4.08 0.00 1.43 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 0.00 0.00 0.00 52A P 0.00 3.95 0.00 1.15 1.02 0.00 2.89 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.57 0.00 53 G 8.70 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 0.00 0.00 0.00 54 N 8.52 4.43 0.00 2.66 2.89 0.00 0.00 7.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.96 3.76 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.35 4.78 0.00 3.01 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 57 T 8.48 5.43 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 1.30 0.00 0.00 58 S 8.66 4.58 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 59 Y 8.79 5.04 0.00 2.90 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 60 N 8.85 4.91 0.00 3.32 3.18 0.00 0.00 7.16 6.16 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 61 Q 9.27 4.03 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 62 K 7.79 3.67 0.00 1.59 1.80 0.00 1.24 0.00 0.00 1.22 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 1.07 7.81 63 F 8.19 4.60 0.00 3.22 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 64 K 7.66 3.71 0.00 1.94 1.75 0.00 1.55 0.00 0.00 1.95 0.00 0.00 3.24 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.41 7.81 65 G 7.68 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 66 K 7.94 3.98 0.00 1.84 2.01 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.65 7.81 67 A 8.16 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 9.18 4.40 0.00 1.73 1.64 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.40 7.81 69 L 9.68 4.98 0.00 1.48 1.58 0.63 -0.84 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 70 T 8.94 4.99 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 1.24 0.00 0.00 71 A 8.55 5.38 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 72 V 9.20 4.42 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 1.15 0.00 0.00 1.00 0.00 0.00 73 T 8.88 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 1.27 0.00 0.00 74 S 8.15 4.27 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.97 4.49 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 76 S 7.29 2.79 0.00 3.72 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 6.99 4.70 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 0.42 0.00 0.00 78 A 8.55 5.15 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 9.90 5.35 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 80 M 8.69 4.69 0.00 0.83 0.57 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 81 E 8.85 4.94 0.00 2.00 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 2.14 2.15 0.00 82 V 8.39 4.71 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 0.92 0.00 0.00 0.51 0.00 0.00 82A S 8.36 4.88 0.00 3.86 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 82B S 8.28 3.90 0.00 4.00 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 82C L 8.82 4.32 0.00 1.69 1.64 0.94 0.68 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 83 T 9.63 4.91 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 1.22 0.00 0.00 84 N 8.66 4.34 0.00 2.75 2.86 0.00 0.00 6.93 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 85 E 7.66 4.20 0.00 2.15 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 0.00 2.36 2.35 0.00 86 D 7.61 4.74 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.29 4.72 0.00 4.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.98 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.70 4.49 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 0.53 0.00 0.00 0.85 0.00 0.00 90 Y 8.76 5.12 0.00 3.00 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 91 Y 8.96 5.46 0.00 3.17 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 92 C 8.96 4.44 0.00 1.88 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 93 T 8.35 4.70 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 0.44 0.00 0.00 94 R 8.48 4.84 0.00 1.69 1.53 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 95 R 8.65 4.84 0.00 1.93 2.24 0.00 3.25 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 96 S 9.25 4.46 0.00 3.95 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 9.04 4.50 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 0.00 0.00 0.00 98 Y 8.40 3.76 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 6.20 2.67 0.00 0.79 0.74 0.00 1.59 0.00 0.00 1.38 0.00 0.00 2.94 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.49 0.53 7.81 100 Y 6.35 4.40 0.00 2.99 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 100I Y 7.52 4.22 0.00 3.28 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 100J A 6.99 4.37 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100K L 8.59 5.12 0.00 1.70 0.97 nan 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.24 4.51 0.00 2.53 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 0.00 102 Y 7.60 4.68 0.00 2.74 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 0.00 103 W 8.91 5.27 0.00 2.92 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 0.00 104 G 8.80 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 0.00 105 Q 8.80 4.08 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 106 G 8.19 4.06 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 0.00 107 T 8.90 4.63 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 1.38 0.00 0.00 108 S 8.74 4.99 0.00 3.90 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 0.00 109 V 8.65 4.94 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.15 0.00 0.00 110 T 9.33 4.75 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 111 V 9.97 4.62 2.18 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 0.75 0.00 0.00 1.05 0.00 0.00 112 S 9.19 4.68 0.00 3.75 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 0.00 113 S 8.56 4.41 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.53 3.77 0.01 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 0.00 115 K 8.00 4.55 0.00 1.91 1.83 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 116 T 8.45 4.60 4.34 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 1.31 0.00 0.00 117 T 9.22 4.77 4.40 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 1.36 0.00 0.00 118 A 8.75 4.53 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 0.00 119 P 0.00 4.64 0.00 1.80 1.93 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 120 S 8.46 4.39 0.00 3.78 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 0.00 121 V 7.98 4.41 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 0.65 0.00 0.00 0.76 0.00 0.00 122 Y 8.86 5.22 0.00 2.92 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 0.00 123 P 0.00 4.82 0.00 2.17 2.13 0.00 3.91 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 124 L 8.57 4.77 0.00 1.59 1.65 1.00 1.37 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 0.00 125 A 8.33 4.57 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.50 0.00 2.28 2.13 0.00 3.93 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 127 V 8.25 3.56 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 0.79 0.00 0.00 0.95 0.00 0.00 128 C 8.87 4.81 0.00 2.96 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 0.00 129 G 8.27 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 0.00 130 D 8.57 4.70 0.00 3.00 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 0.00 129 G 8.27 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 0.00 130 S 8.54 4.53 0.00 4.17 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 0.00 137 S 7.87 4.98 0.00 3.75 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.88 4.41 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 0.99 0.00 0.00 1.11 0.00 0.00 139 T 8.58 4.56 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 1.16 0.00 0.00 140 L 8.35 4.59 0.00 0.92 1.11 -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.83 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 0.00 142 C 9.37 5.55 0.00 2.81 2.79 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 0.00 143 L 8.97 5.10 0.00 1.91 1.72 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 144 V 9.36 4.78 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.85 0.00 0.00 145 K 8.81 5.00 0.00 1.87 1.94 0.00 1.67 0.00 0.00 2.08 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.49 7.81 146 G 8.68 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 0.00 147 Y 7.33 5.26 0.00 2.94 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 0.00 148 F 9.47 5.13 0.00 3.20 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 0.00 149 P 0.00 4.36 0.00 1.51 0.49 0.00 3.67 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 150 E 8.13 3.95 0.00 1.72 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 151 P 0.00 4.89 0.00 2.06 1.97 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 152 V 7.82 4.65 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.54 0.00 0.00 153 T 8.55 4.54 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 154 L 8.44 5.57 0.00 1.52 1.38 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 *156 T 8.31 4.74 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 1.17 0.00 0.00 157 W 8.50 4.94 0.00 3.30 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 *162 N 8.29 4.35 0.00 3.08 2.93 0.00 0.00 7.08 7.57 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 0.00 163 S 9.55 3.68 0.00 4.04 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 0.00 164 G 8.35 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 0.00 165 S 8.22 4.22 0.00 3.93 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 0.00 166 L 7.74 4.69 0.00 1.97 1.56 0.91 0.83 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 0.00 167 S 8.35 4.71 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 7.92 4.27 0.00 3.85 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 0.00 169 G 8.52 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 *171 V 7.40 4.19 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 1.07 0.00 0.00 0.89 0.00 0.00 172 H 9.94 4.51 0.00 2.88 2.56 0.00 5.85 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 0.00 173 T 8.17 4.73 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 1.21 0.00 0.00 174 F 8.87 4.67 0.00 2.99 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 0.00 175 P 0.00 4.29 0.00 2.14 2.08 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 176 A 8.58 4.67 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 V 8.83 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 1.05 0.00 0.00 0.99 0.00 0.00 178 L 8.35 5.03 0.00 1.34 1.26 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.13 4.10 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.39 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 180 S 8.34 3.41 0.00 4.02 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 *183 D 8.24 4.40 0.00 2.64 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 0.00 184 L 7.81 4.94 0.00 1.50 1.67 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 8.41 4.90 0.00 1.43 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 0.00 0.00 0.00 0.00 186 T 8.80 5.25 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 187 L 10.07 5.42 0.00 1.87 1.67 0.96 0.66 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 0.00 188 S 8.70 5.36 0.00 4.08 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 0.00 189 S 9.27 5.43 0.00 4.01 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 0.00 190 S 9.89 5.45 0.00 3.94 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 V 8.50 4.42 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.27 0.00 0.00 192 T 8.37 4.92 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 1.17 0.00 0.00 193 V 8.15 4.62 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 0.86 0.00 0.00 0.90 0.00 0.00 194 T 8.55 4.61 4.34 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 1.21 0.00 0.00 195 S 8.91 4.12 0.00 3.90 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 0.00 196 S 7.95 4.20 0.00 4.01 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 *198 T 7.85 4.56 4.40 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 1.27 0.00 0.00 199 W 7.48 5.05 0.00 3.30 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 0.00 200 P 0.00 2.99 0.00 1.64 0.63 0.00 3.47 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.37 0.00 *202 S 7.87 4.43 0.00 4.11 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 0.00 203 Q 8.19 4.75 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 204 S 8.92 4.34 0.00 3.96 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 0.00 205 I 8.78 4.59 1.81 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 1.42 0.98 0.93 0.00 0.00 206 T 8.36 4.70 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 1.27 0.00 0.00 *208 C 8.43 4.52 0.00 1.99 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 0.00 209 N 8.68 5.22 0.00 2.62 2.75 0.00 0.00 6.06 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 0.00 210 V 9.40 4.67 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 0.74 0.00 0.00 0.70 0.00 0.00 211 A 9.17 4.84 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 0.00 212 H 9.60 4.90 0.00 2.92 3.07 0.00 5.62 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 0.00 213 P 0.00 4.12 0.00 2.17 2.22 0.00 3.77 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 1.93 1.87 0.00 214 A 7.80 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 S 7.77 4.51 0.00 4.04 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 0.00 216 S 8.04 3.81 0.00 4.01 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 0.00 217 T 8.18 4.65 4.40 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 1.18 0.00 0.00 218 K 8.69 4.88 0.00 1.63 1.60 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.41 7.81 219 V 9.83 4.44 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 0.84 0.00 0.00 0.88 0.00 0.00 220 D 8.72 5.15 0.00 2.55 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 0.00 221 K 9.07 4.39 0.00 1.59 1.60 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.44 7.81 222 K 8.64 4.33 0.00 1.88 1.78 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.60 7.81 223 I 8.84 4.04 1.70 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.74 0.00 0.00 *226 E 8.18 4.95 0.00 2.11 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 2.50 2.34 0.00 227 P 0.00 4.73 0.00 2.04 1.97 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 * Residues marked with a * may have inaccurate shift predictions.