NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.5076 8.3193 116.7950 57.5331 64.7704 173.0078 -1 N 4.5709 8.5667 122.9873 53.8274 44.7676 175.0182 0 A 4.1878 7.9104 121.1790 52.6475 20.8785 179.9485 0 S 4.3378 7.9804 113.0790 58.4475 65.5785 176.7485 3 K 4.3591 8.0425 116.9447 56.3150 32.1329 176.0308 4 I 4.1707 7.4410 119.2331 61.7201 37.8648 174.9943 5 T 4.6731 8.9891 114.2863 59.6128 72.2391 174.5461 6 F 4.0116 8.8369 118.6658 60.5777 38.9179 178.0467 7 K 4.1218 7.6916 118.2134 59.0648 31.8446 177.6012 8 D 4.5682 7.8394 117.1885 55.3551 41.0776 176.3436 9 I 4.3767 7.5130 121.1730 59.8858 38.0881 175.1777 10 Y 4.1742 9.5595 127.0977 57.8645 39.0912 175.2178 11 I 3.9383 7.5321 127.5515 59.5098 39.0760 175.5077 12 D 4.4050 7.9050 125.9141 51.8127 39.8966 174.7754 13 G 4.3715 7.4720 111.0582 45.2266 0.0000 169.6540 14 N 4.6197 8.2789 119.5036 52.8247 39.8575 174.5318 15 K 3.2640 8.4522 125.4422 55.7930 31.9192 176.1812 16 I 4.0330 8.4680 122.7685 63.1767 38.8944 175.7608 17 T 4.5297 7.1034 117.0587 62.9861 73.1509 172.5372 18 E 5.4604 8.4930 119.3278 56.8519 33.4813 175.2174 19 D 4.5099 8.0970 120.0298 52.6350 41.6456 173.8774 20 S 4.2374 9.0125 112.6583 62.0523 62.5089 176.3561 21 R 4.5511 8.4068 115.8697 57.6468 31.2569 176.0603 22 K 5.1988 8.6428 117.1224 54.6343 37.0375 174.8470 23 A 5.5035 8.4685 120.3192 49.0572 22.3627 175.1354 24 I 4.6855 7.8433 121.8363 59.4928 40.7479 174.1790 25 Y 5.5229 9.1856 123.3139 55.2635 41.3126 174.6267 26 L 5.1305 8.5737 123.5803 53.1320 45.4235 175.4509 27 L 5.0029 9.3545 123.5471 52.5381 42.9580 174.9788 28 P 4.4468 0.0000 0.0000 64.0719 31.7964 176.1176 29 P 4.4116 0.0000 0.0000 65.2658 31.5894 176.4177 30 Q 4.5806 7.8697 116.2795 53.5342 28.6069 173.8612 31 P 4.6626 0.0000 0.0000 63.4207 32.3727 177.6064 32 L 4.5659 7.7780 118.0554 54.2981 42.0432 175.5467 33 K 4.2914 7.4663 120.1868 54.5693 33.2329 176.5108 34 Y 4.3143 8.2795 124.9132 61.0447 38.1306 177.5518 35 A 4.1932 8.1230 121.8254 54.5499 18.7047 178.2787 36 S 4.4579 7.9281 108.2517 58.6504 63.9136 173.7855 37 N 5.2079 7.4121 117.3132 52.1901 38.3326 173.9752 38 T 4.6107 9.0852 117.3684 61.0527 72.0540 171.7162 39 W 5.1142 8.5557 124.8218 55.3396 31.8439 175.9072 40 I 4.5293 8.2899 123.2370 59.7506 39.5012 174.9570 41 Y 4.8093 8.8455 125.1822 58.0780 38.3988 175.6558 42 K 4.6390 9.3894 120.0435 57.3400 34.7199 177.7554 43 T 4.3209 8.1570 104.0904 60.9816 68.5705 175.2462 *45 P 4.2715 0.0000 0.0000 62.1697 33.4847 177.2078 46 T 4.2052 7.8101 110.3108 61.4634 68.2829 175.6375 *48 N 4.6512 8.8661 115.1800 53.1889 40.2756 176.2411 49 Q 4.2414 7.7377 114.7744 58.3091 28.7923 178.0661 50 W 4.1209 8.1558 130.9601 60.4578 30.9095 177.5061 51 L 3.4581 8.0038 118.4160 57.9603 40.9965 179.7340 52 K 4.0442 7.6528 116.6081 59.4605 32.0347 179.1290 53 D 4.4215 8.3672 119.9000 57.0807 40.5569 178.9993 54 I 3.4929 7.4015 113.6102 64.0337 37.5415 177.8236 55 E 3.9225 7.4094 120.2050 58.9430 29.1237 179.5311 56 V 3.6296 7.4488 116.4020 66.3358 31.6369 177.5841 57 Q 4.1529 7.7281 117.5906 58.8601 29.1473 177.1513 58 K 3.8452 8.7559 121.8094 59.9020 32.1896 178.5284 59 K 3.8131 8.0072 119.2845 58.8343 32.5750 177.0348 *61 H 4.6863 8.0365 115.4312 56.5476 30.8986 175.5298 62 L 3.5861 7.9880 119.0338 57.8093 41.3912 178.7624 63 N 4.4044 7.9547 114.4733 55.3038 38.6278 174.7710 64 Q 4.4675 7.2822 112.6755 56.2432 30.1281 174.8278 65 S 3.3905 8.2878 112.6599 60.4408 60.0845 170.4462 66 S 4.8884 8.4057 116.4451 57.3377 64.4893 174.3616 67 Y 4.6254 9.0080 122.5518 57.8488 38.1956 174.6305 68 H 5.2598 8.2702 114.7548 53.8767 31.7851 172.7641 69 L 4.9361 8.4628 117.5253 53.3912 46.3121 176.1453 70 S 5.5057 8.7992 113.6311 58.6882 66.4885 173.7112 71 F 5.3520 9.1175 125.3456 55.7826 42.7469 174.1336 72 S 5.2508 8.6201 117.3834 56.9630 65.8976 173.5339 73 F 5.2570 8.8649 121.8783 54.9459 41.2552 173.8505 74 P 4.4915 0.0000 0.0000 62.2809 32.3358 176.3972 75 A 3.5530 8.4265 125.7870 53.7744 18.6999 177.0575 76 N 3.1400 8.1104 117.7848 53.3318 36.8708 173.9157 77 E 4.7986 7.3221 116.1586 54.4230 31.9353 175.8616 78 K 4.4079 8.4537 121.7408 55.0806 33.3747 176.8125 79 I 3.2627 7.5778 123.5320 61.2750 36.9616 175.9814 80 D 4.2882 8.2231 125.5919 54.2081 42.7933 177.9480 81 E 3.9143 8.5817 121.2717 58.9243 30.0726 179.5211 82 V 3.4878 7.5765 119.6757 64.6274 31.3931 177.7688 83 L 3.7273 7.7204 121.1289 57.4170 41.7774 178.3857 84 L 3.6155 7.6725 120.0570 58.1465 41.9475 178.5400 85 E 3.8816 8.4422 119.5303 59.1363 29.5391 178.7605 86 K 4.0273 8.0371 119.6526 59.3918 32.3592 178.4939 87 I 3.7594 7.8837 120.6275 64.7481 37.0139 178.2623 88 R 3.9602 7.7471 117.8941 59.5297 29.7698 178.4922 89 E 4.0419 8.3103 117.8299 59.0624 29.4952 177.9960 90 L 4.7186 8.0683 116.1415 54.1868 42.0488 177.0486 91 G 3.8766 8.3747 106.6045 45.9370 0.0000 173.9005 92 F 4.3533 8.1053 118.3277 56.9920 39.7338 175.5531 93 Q 4.4068 8.9371 123.0006 55.8170 29.8871 175.1034 94 I 5.0792 8.4498 123.4893 59.9616 40.1828 174.7258 95 G 4.2675 8.8816 111.1544 45.3794 0.0000 171.3998 96 V 4.8945 8.2559 118.8971 60.9180 34.1640 174.4906 97 L 5.0075 9.1901 127.9090 53.5639 43.9428 175.3194 98 E 5.1873 9.2238 122.0308 54.5228 33.1858 174.5751 99 L 4.7216 8.2703 125.4560 53.7493 44.1484 174.7494 100 Y 5.2005 8.9326 123.0854 56.2359 41.8949 174.7164 101 V 5.0444 8.9863 122.0238 61.4064 35.6069 173.9684 102 I 4.7412 8.3961 123.8484 59.3665 41.8614 174.1239 103 E 4.3764 8.6219 125.9607 55.5826 30.6835 177.3660 104 A 3.9720 7.9744 126.7122 55.4224 18.3108 180.2219 105 K 3.7314 8.1491 116.1759 60.5365 32.1016 178.3779 106 A 3.9227 7.2236 120.2472 55.0164 18.1993 179.3462 107 L 4.0807 7.7576 116.2936 57.6772 41.8852 179.5311 108 K 4.2035 7.8759 118.2759 59.2087 31.8670 179.1073 109 E 4.5142 8.0567 115.5042 55.9742 30.4074 176.6473 110 L 4.4784 7.3074 119.2248 54.1393 43.0520 177.0714 111 S 4.0948 8.6027 116.9951 59.5061 63.1721 174.3017 112 R 4.6522 8.5268 124.0635 54.9547 31.3495 177.0428 113 K 4.4916 9.0704 125.7307 54.0870 31.1512 176.5543 114 R 4.0708 8.1214 119.9557 58.0332 30.5816 177.8619 115 D 4.4551 8.0152 116.8860 56.3417 41.1030 176.3257 116 V 4.2253 7.7237 119.8396 61.9729 32.6620 174.6356 117 D 4.9691 9.0259 127.6007 52.6158 43.3041 174.7145 118 I 4.7912 8.4904 126.3739 59.8279 39.4787 174.8698 119 Q 4.8066 8.9497 126.2753 53.6786 32.2178 175.1751 120 L 4.5668 8.3544 121.2349 54.5871 42.5648 177.1063 121 V 4.1240 8.8925 124.9962 63.0388 32.2891 175.4131 122 S 4.7549 10.1303 122.5919 56.9296 66.0539 174.1685 123 S 4.3979 8.9517 114.4869 61.3874 62.4390 175.5666 124 N 4.6774 8.2241 115.5986 54.4714 38.6849 175.4390 125 N 5.0307 7.7774 112.4609 51.2517 39.7886 175.6156 126 I 3.2768 7.8001 120.8596 64.5210 37.4950 177.1734 127 N 4.3976 8.1588 116.2444 55.9591 37.2996 176.4532 128 D 4.4928 8.3221 121.5456 57.0140 41.1314 177.6618 129 Y 3.8938 7.9754 119.5635 61.0220 38.6983 178.3821 130 L 4.1609 8.3391 119.4964 57.7543 41.3941 179.1196 131 H 4.1624 7.7100 117.4785 59.1289 30.1847 177.2236 132 V 3.6921 7.5549 119.4833 66.0342 31.5533 176.9052 133 Y 3.7688 7.7283 119.3131 60.9968 38.5328 177.8528 134 D 4.5047 8.7444 118.8442 57.3509 41.0802 177.9472 135 A 4.1568 7.6998 120.0318 54.4194 18.4168 179.3942 136 F 4.0236 8.1087 115.4905 60.5160 39.4916 177.3396 137 A 4.5537 8.0859 120.5136 55.3237 18.3190 179.6624 138 R 4.2131 8.6099 117.9971 58.8979 30.2882 176.4581 139 P 4.3476 0.0000 0.0000 64.2259 31.4926 176.6004 140 F 4.4106 8.4126 116.9775 57.2877 38.9992 176.1582 141 G 4.1891 8.0596 108.8378 45.2524 0.0000 175.1620 142 D 4.3571 8.8279 120.0310 57.1155 40.7101 178.8986 143 S 4.2143 8.1087 112.0680 61.6909 62.4570 175.2565 144 Y 4.1759 8.0366 119.7660 60.5868 38.9118 177.1194 145 A 4.1722 8.3690 121.8097 55.2636 18.4606 179.3711 146 N 4.2157 8.6731 113.1907 55.0609 39.0506 177.1673 *148 V 3.9423 7.7372 115.8262 61.2438 34.0180 177.9339 149 K 3.9465 8.4755 120.9705 59.7016 32.1711 178.8675 150 Q 4.0938 8.3114 118.4678 59.1345 28.3396 178.4179 151 H 4.1452 8.1259 117.9316 59.2715 30.2478 176.7986 152 I 3.6760 7.6364 121.5083 64.8321 36.7630 177.9542 153 Y 4.1047 7.9394 116.0360 60.6481 37.7194 178.1038 154 S 4.6896 7.6367 112.4640 58.3330 63.8799 174.8095 155 S 4.5169 8.1798 114.5564 58.1931 65.2423 175.3812 156 Y 4.0460 7.8754 120.3983 60.0515 37.9069 178.0903 157 N 4.3905 7.1555 116.5900 55.3434 39.2736 176.3313 158 L 4.0803 7.6344 117.1478 57.1749 42.0995 177.1801 159 D 4.5398 7.7507 116.5893 53.4578 39.7316 175.8183 160 D 4.6052 8.3105 118.0127 54.6954 41.1955 177.0890 161 I 3.9309 7.1479 119.6893 61.2388 37.9415 175.3011 162 E 4.8288 8.8596 124.2984 54.6915 33.1540 175.2702 163 R 5.0529 8.2786 119.7776 54.5172 34.4702 174.0955 164 L 5.3264 8.9464 122.8892 52.9419 45.0097 175.8611 165 V 4.6650 8.6358 120.6269 59.8350 35.1069 174.0273 166 A 5.0820 8.9991 125.0675 50.2848 21.9541 174.5348 167 Y 5.0615 9.3740 119.8204 56.1344 41.4521 174.9523 168 V 4.4221 8.3989 123.5940 61.3679 34.5466 175.3129 169 N 3.9319 9.6615 125.6850 54.9075 35.9794 174.7763 170 H 4.1552 8.3018 111.5691 56.0584 27.0222 175.0428 171 Q 4.6739 7.6883 118.6854 53.6388 30.2406 173.2799 172 P 4.3660 0.0000 0.0000 62.6771 32.3048 176.2508 173 V 4.2282 8.6458 118.2068 61.7404 35.0956 174.7743 174 G 4.3977 7.5420 106.6721 45.0591 0.0000 171.8872 175 I 5.1922 8.4501 114.3173 59.4949 41.6670 174.0599 176 V 4.7875 8.2586 120.1901 61.0907 34.9068 172.0912 177 D 5.5275 9.4002 122.7152 52.7952 43.8930 175.4473 178 I 5.1294 8.9652 114.7195 59.5000 41.1594 174.7199 179 I 4.4558 8.7990 126.6538 59.5642 40.9111 174.4307 *181 T 4.3480 8.0950 112.1515 61.3972 69.5545 174.3764 182 D 4.4620 8.7172 121.0277 57.0738 40.8712 177.7929 183 K 4.5161 7.5422 117.5595 57.7015 33.4017 176.6247 184 T 4.9978 7.8161 108.0263 60.2677 72.2624 173.2340 185 I 4.7516 8.2253 116.0854 59.1695 40.5949 173.9025 186 E 5.2222 9.1472 125.7592 54.5924 32.3876 174.3609 187 I 5.0205 8.4938 127.1661 59.9595 39.3795 174.5613 188 D 4.6043 9.2216 124.5547 53.2104 45.2883 174.8210 189 G 4.1774 8.4525 110.0384 46.3103 0.0000 173.6600 190 F 4.1942 8.4312 121.2220 57.9876 40.3975 174.5310 191 G 3.5492 7.3056 110.1465 45.0597 0.0000 172.1974 192 V 4.8817 8.4141 123.5363 60.3095 34.6845 175.2770 193 L 4.0132 8.9652 127.4252 55.1140 42.4707 177.8240 194 E 3.7518 8.8437 124.8799 59.5600 29.6553 178.2825 195 E 4.0997 8.1046 115.1150 57.1080 29.7228 176.3769 196 F 5.4038 8.3094 114.4859 57.0100 38.9465 175.4923 197 Q 4.1352 8.0380 120.9360 56.9680 28.9377 175.6260 198 H 4.0816 8.5284 114.0186 57.4627 26.4528 175.5666 199 Q 4.5076 7.8904 112.7764 55.6116 29.6001 177.4920 200 G 4.0737 8.2596 107.0796 45.7413 0.0000 175.8871 201 I 3.8264 7.8916 121.0283 64.4067 37.2671 178.1290 202 G 4.0434 8.2814 106.0251 48.2494 0.0000 175.2888 203 S 4.2644 8.3047 117.0492 61.5803 62.5779 176.5061 204 E 4.0143 7.9024 120.4285 59.1701 29.8077 178.4067 205 I 3.9030 7.9187 119.9252 64.6187 37.2860 177.8608 206 Q 4.0979 8.8529 120.2161 59.4442 28.8386 178.3181 207 A 4.2016 8.4883 121.9471 55.6689 18.1635 179.0346 208 Y 3.9931 7.8149 116.6129 60.7555 38.9118 178.0000 209 V 4.0405 8.0544 118.3127 65.7325 31.8672 177.7880 210 G 3.8164 8.1420 104.8765 47.4409 0.0000 174.9442 211 R 4.1443 7.8714 119.9445 56.5047 30.8921 178.4424 *213 A 4.3220 8.0613 123.3878 50.3645 22.1586 180.3171 214 N 4.0478 7.6817 111.2219 54.9552 39.2870 175.9318 215 E 4.2465 9.1912 114.1018 57.2345 30.5329 176.9023 216 R 4.2347 8.3283 121.3923 55.3825 31.1465 174.6868 217 P 4.6350 0.0000 0.0000 63.0698 33.1067 175.2184 218 V 4.8790 8.5631 114.8981 59.7760 34.1445 175.0073 219 I 5.3884 8.6109 117.5052 59.3258 41.2500 174.0913 220 L 4.8851 8.8151 122.4926 54.7038 44.2434 174.5489 221 V 4.9035 8.3411 112.9820 59.7103 33.6350 175.1111 222 A 4.8845 9.0297 126.5732 50.5391 22.2126 175.4686 223 D 5.5984 8.4266 119.2649 52.9024 43.8989 175.7430 224 G 3.8225 9.0561 106.6050 48.7384 0.0000 175.4597 225 K 3.9713 8.4516 118.3928 59.1258 32.5342 176.1708 226 D 4.4204 8.1488 118.8581 54.5778 40.8535 175.7409 227 T 4.1182 8.5420 116.9892 63.2495 69.4421 175.1373 228 A 4.1230 8.4681 124.7584 52.0297 18.9490 178.0697 229 K 3.9955 8.0416 118.6408 60.1238 32.3150 179.7105 230 D 4.3610 7.9421 115.1601 54.3607 39.1869 177.6779 *232 Y 4.7371 8.0456 118.5954 58.9061 40.0461 177.5452 233 L 4.1422 8.0348 119.7199 57.7619 41.8140 179.7674 234 R 4.0660 7.8846 113.8457 58.6493 29.6077 177.2953 235 Q 4.2026 7.9292 115.5341 56.0922 28.9582 176.2406 236 G 4.0937 7.8969 105.8081 44.9921 0.0000 173.8563 237 Y 4.2233 8.0795 118.2409 57.8179 38.6455 175.6970 238 V 4.6520 9.1205 123.4794 59.9463 34.2319 174.3105 239 Y 4.2177 8.8852 125.6878 57.3088 39.3258 174.5699 240 Q 4.3078 7.9397 126.8455 55.9109 30.6911 173.6725 241 G 3.6995 6.2258 103.4125 43.4595 0.0000 172.4366 242 F 5.7422 8.6991 113.3715 55.2690 42.2729 173.7718 243 K 4.5923 8.9731 119.4805 55.2529 35.6722 174.4395 244 Y 4.9675 8.9959 125.5573 58.1907 39.4541 174.1596 245 H 5.8247 9.6502 118.8303 54.0112 33.0734 172.0086 246 I 5.4092 9.2488 111.6851 59.6690 41.5938 173.8521 247 L 5.3021 9.1597 124.3020 53.9870 46.0748 174.1382 248 K 4.6667 9.0028 126.3030 54.7577 35.2157 176.1228 249 E 4.6403 8.9203 124.0687 55.7411 31.1867 175.8857 250 N 4.3543 7.7578 116.4965 49.4813 37.9979 175.0579 251 I 3.5722 7.9990 116.2246 60.6282 38.7976 174.0827 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 S 8.32 4.51 0.00 3.87 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 -1 N 8.57 4.57 0.00 2.85 2.85 0.00 0.00 5.88 6.38 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 A 7.91 4.19 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 0 S 7.98 4.34 0.00 3.67 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 3 K 8.04 4.36 0.00 1.87 1.78 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.45 7.81 4 I 7.44 4.17 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.50 0.82 0.00 0.00 5 T 8.99 4.67 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 1.21 0.00 0.00 6 F 8.84 4.01 0.00 3.16 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 7 K 7.69 4.12 0.00 1.79 1.92 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 8 D 7.84 4.57 0.00 2.81 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 9 I 7.51 4.38 2.03 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 1.09 0.64 1.01 0.00 0.00 10 Y 9.56 4.17 0.00 2.86 2.95 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 11 I 7.53 3.94 1.39 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.41 0.12 0.00 0.00 12 D 7.90 4.41 0.00 2.96 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.47 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 14 N 8.28 4.62 0.00 2.64 2.72 0.00 0.00 6.93 6.29 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 15 K 8.45 3.26 0.00 1.27 1.51 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.01 7.81 16 I 8.47 4.03 1.76 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 1.03 0.58 0.87 0.00 0.00 17 T 7.10 4.53 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 1.07 0.00 0.00 18 E 8.49 5.46 0.00 1.80 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 0.00 2.33 2.11 0.00 19 D 8.10 4.51 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.01 4.24 0.00 3.86 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 21 R 8.41 4.55 0.00 2.15 2.28 0.00 3.13 0.00 0.00 3.49 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 22 K 8.64 5.20 0.00 1.48 1.75 0.00 0.99 0.00 0.00 0.87 0.00 0.00 2.61 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.21 1.39 7.81 23 A 8.47 5.50 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 24 I 7.84 4.69 1.44 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.70 0.00 0.00 25 Y 9.19 5.52 0.00 2.71 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 26 L 8.57 5.13 0.00 1.55 1.56 1.06 0.46 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 27 L 9.35 5.00 0.00 1.71 1.52 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.45 0.00 2.09 2.15 0.00 3.83 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 29 P 0.00 4.41 0.00 2.09 2.17 0.00 3.83 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 2.07 2.04 0.00 30 Q 7.87 4.58 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 31 P 0.00 4.66 0.00 2.22 2.18 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 32 L 7.78 4.57 0.00 1.65 1.71 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.47 4.29 0.00 1.77 1.77 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.39 7.81 34 Y 8.28 4.31 0.00 3.01 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 35 A 8.12 4.19 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 36 S 7.93 4.46 0.00 4.02 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 37 N 7.41 5.21 0.00 2.84 2.84 0.00 0.00 6.73 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.65 0.00 2.86 2.96 0.00 0.00 6.61 7.74 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 49 Q 7.74 4.24 0.00 2.44 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 50 W 8.16 4.12 0.00 3.29 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.00 3.46 0.00 1.93 1.62 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.65 4.04 0.00 2.01 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.46 7.81 53 D 8.37 4.42 0.00 2.71 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 0.00 0.00 0.00 0.00 54 I 7.40 3.49 1.64 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 1.19 0.48 -0.16 0.00 0.00 55 E 7.41 3.92 0.00 2.18 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 2.43 2.44 0.00 56 V 7.45 3.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.41 4.89 0.00 3.72 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 67 Y 9.01 4.63 0.00 2.99 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.27 5.26 0.00 2.84 3.09 0.00 5.47 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 69 L 8.46 4.94 0.00 1.78 1.83 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.80 5.51 0.00 3.93 3.73 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 0.00 0.00 0.00 0.00 71 F 9.12 5.35 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.62 5.25 0.00 3.78 3.73 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 0.00 0.00 0.00 0.00 73 F 8.86 5.26 0.00 3.13 2.97 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 74 P 0.00 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4.72 0.00 0.44 0.84 0.63 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.93 5.20 0.00 2.68 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 0.00 101 V 8.99 5.04 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 0.92 0.00 0.00 0.87 0.00 0.00 102 I 8.40 4.74 0.74 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.99 0.64 0.00 0.00 103 E 8.62 4.38 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 104 A 7.97 3.97 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 0.00 105 K 8.15 3.73 0.00 1.97 2.09 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.51 7.81 106 A 7.22 3.92 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 0.00 107 L 7.76 4.08 0.00 1.83 1.75 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.88 4.20 0.00 2.03 1.85 0.00 1.54 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.55 7.81 109 E 8.06 4.51 0.00 2.12 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 2.45 2.42 0.00 110 L 7.31 4.48 0.00 1.91 1.66 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.60 4.09 0.00 3.88 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 0.00 112 R 8.53 4.65 0.00 1.82 1.89 0.00 3.43 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 113 K 9.07 4.49 0.00 1.75 1.71 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.46 1.46 7.81 114 R 8.12 4.07 0.00 1.86 2.02 0.00 3.29 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 115 D 8.02 4.46 0.00 2.69 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 0.00 116 V 7.72 4.23 2.24 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 0.71 0.00 0.00 0.95 0.00 0.00 117 D 9.03 4.97 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.49 4.79 1.64 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 1.18 0.74 -0.07 0.00 0.00 119 Q 8.95 4.81 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 120 L 8.35 4.57 0.00 1.57 1.62 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.89 4.12 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 0.38 0.00 0.00 0.86 0.00 0.00 122 S 10.13 4.75 0.00 3.91 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 0.00 123 S 8.95 4.40 0.00 3.96 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 0.00 124 N 8.22 4.68 0.00 2.74 2.87 0.00 0.00 6.77 7.61 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 0.00 125 N 7.78 5.03 0.00 3.02 3.04 0.00 0.00 5.86 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 0.00 126 I 7.80 3.28 0.93 0.00 0.00 -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 0.02 0.59 0.78 0.00 0.00 127 N 8.16 4.40 0.00 2.99 3.04 0.00 0.00 6.05 8.06 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 0.00 128 D 8.32 4.49 0.00 2.96 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.98 3.89 0.00 2.98 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 0.00 130 L 8.34 4.16 0.00 1.91 1.84 0.99 1.18 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 0.00 131 H 7.71 4.16 0.00 3.16 3.43 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.55 3.69 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 0.96 0.00 0.00 0.81 0.00 0.00 133 Y 7.73 3.77 0.00 2.90 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 0.00 134 D 8.74 4.50 0.00 3.02 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 0.00 135 A 7.70 4.16 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 0.00 136 F 8.11 4.02 0.00 2.98 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 0.00 137 A 8.09 4.55 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 0.00 138 R 8.61 4.21 0.00 2.18 1.96 0.00 3.45 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 139 P 0.00 4.35 0.00 1.63 1.87 0.00 3.96 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 140 F 8.41 4.41 0.00 3.16 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 0.00 141 G 8.06 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 0.00 0.00 0.00 142 D 8.83 4.36 0.00 2.82 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 0.00 143 S 8.11 4.21 0.00 3.91 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 0.00 144 Y 8.04 4.18 0.00 3.05 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 0.00 145 A 8.37 4.17 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.67 4.22 0.00 2.91 2.87 0.00 0.00 7.06 7.56 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 *148 V 7.74 3.94 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 0.21 0.00 0.00 0.86 0.00 0.00 149 K 8.48 3.95 0.00 2.07 1.99 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.64 7.81 150 Q 8.31 4.09 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 151 H 8.13 4.15 0.00 3.10 3.50 0.00 5.94 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 0.00 152 I 7.64 3.68 1.78 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.28 0.56 0.00 0.00 153 Y 7.94 4.10 0.00 3.12 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 0.00 154 S 7.64 4.69 0.00 4.05 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 0.00 155 S 8.18 4.52 0.00 3.87 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 0.00 156 Y 7.88 4.05 0.00 2.86 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 7.16 4.39 0.00 2.42 2.75 0.00 0.00 6.94 7.85 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 0.00 158 L 7.63 4.08 0.00 1.51 1.65 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.75 4.54 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.31 4.61 0.00 2.56 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 0.00 161 I 7.15 3.93 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.25 0.89 0.00 0.00 162 E 8.86 4.83 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 163 R 8.28 5.05 0.00 1.39 1.39 0.00 2.42 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 1.57 1.42 0.00 164 L 8.95 5.33 0.00 1.50 1.36 0.90 0.66 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 0.00 165 V 8.64 4.66 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 0.78 0.00 0.00 0.52 0.00 0.00 166 A 9.00 5.08 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 0.00 167 Y 9.37 5.06 0.00 2.89 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 0.00 168 V 8.40 4.42 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 1.06 0.00 0.00 0.88 0.00 0.00 169 N 9.66 3.93 0.00 2.93 2.90 0.00 0.00 7.21 8.16 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 0.00 170 H 8.30 4.16 0.00 3.30 3.42 0.00 5.88 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 7.69 4.67 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 172 P 0.00 4.37 0.00 2.07 1.70 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 173 V 8.65 4.23 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 0.45 0.00 0.00 -0.50 0.00 0.00 174 G 7.54 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 0.00 0.00 0.00 0.00 175 I 8.45 5.19 1.51 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.21 0.38 0.00 0.00 176 V 8.26 4.79 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 0.65 0.00 0.00 1.17 0.00 0.00 177 D 9.40 5.53 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 8.97 5.13 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.00 0.99 0.00 0.00 179 I 8.80 4.46 1.83 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.65 0.00 0.00 *181 T 8.10 4.35 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 1.23 0.00 0.00 182 D 8.72 4.46 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 K 7.54 4.52 0.00 1.82 1.82 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.37 7.81 184 T 7.82 5.00 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 0.00 185 I 8.23 4.75 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.92 0.00 0.00 186 E 9.15 5.22 0.00 2.02 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 2.22 2.39 0.00 187 I 8.49 5.02 1.98 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 1.23 0.83 0.94 0.00 0.00 188 D 9.22 4.60 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 8.45 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 0.00 0.00 0.00 0.00 190 F 8.43 4.19 0.00 3.20 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 0.00 191 G 7.31 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 0.00 192 V 8.41 4.88 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 1.02 0.00 0.00 0.94 0.00 0.00 193 L 8.97 4.01 0.00 2.03 1.77 0.88 1.01 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 0.00 194 E 8.84 3.75 0.00 1.87 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 2.33 2.32 0.00 195 E 8.10 4.10 0.00 1.84 1.86 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 1.50 2.01 0.00 196 F 8.31 5.40 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 0.00 197 Q 8.04 4.14 0.00 2.22 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.28 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 198 H 8.53 4.08 0.00 3.32 3.38 0.00 5.65 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 Q 7.89 4.51 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.46 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 200 G 8.26 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 0.00 201 I 7.89 3.83 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.98 0.91 0.00 0.00 202 G 8.28 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 0.00 0.00 0.00 203 S 8.30 4.26 0.00 4.14 4.15 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 0.00 204 E 7.90 4.01 0.00 2.14 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 2.37 2.47 0.00 205 I 7.92 3.90 2.33 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 1.37 1.03 1.10 0.00 0.00 206 Q 8.85 4.10 0.00 2.45 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 207 A 8.49 4.20 1.47 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 0.00 208 Y 7.81 3.99 0.00 3.05 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 V 8.05 4.04 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 1.00 0.00 0.00 1.16 0.00 0.00 210 G 8.14 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 0.00 211 R 7.87 4.14 0.00 1.80 1.82 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 *213 A 8.06 4.32 1.47 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 0.00 214 N 7.68 4.05 0.00 2.83 2.09 0.00 0.00 7.21 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 0.00 215 E 9.19 4.25 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 2.24 2.26 0.00 216 R 8.33 4.23 0.00 1.87 1.96 0.00 3.22 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 217 P 0.00 4.64 0.00 2.09 2.15 0.00 3.85 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 2.06 1.98 0.00 218 V 8.56 4.88 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.07 0.00 0.00 219 I 8.61 5.39 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.90 0.00 0.00 220 L 8.82 4.89 0.00 1.66 1.63 -0.59 0.41 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 0.00 221 V 8.34 4.90 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.98 0.00 0.00 222 A 9.03 4.88 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 0.00 223 D 8.43 5.60 0.00 2.68 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 0.00 224 G 9.06 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 0.00 225 K 8.45 3.97 0.00 1.96 2.05 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.93 1.44 7.81 226 D 8.15 4.42 0.00 2.76 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 0.00 227 T 8.54 4.12 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 1.29 0.00 0.00 228 A 8.47 4.12 0.75 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 0.00 229 K 8.04 4.00 0.00 1.81 1.91 0.00 1.85 0.00 0.00 1.93 0.00 0.00 3.38 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.63 1.63 7.81 230 D 7.94 4.36 0.00 2.86 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 *232 Y 8.05 4.74 0.00 2.79 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 0.00 0.00 0.00 0.00 233 L 8.03 4.14 0.00 2.03 1.75 1.17 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 234 R 7.88 4.07 0.00 1.95 2.07 0.00 3.07 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 235 Q 7.93 4.20 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 236 G 7.90 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 0.00 237 Y 8.08 4.22 0.00 3.01 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 0.00 238 V 9.12 4.65 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 0.81 0.00 0.00 1.00 0.00 0.00 239 Y 8.89 4.22 0.00 3.09 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 0.00 240 Q 7.94 4.31 0.00 1.85 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.91 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 241 G 6.23 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 0.00 242 F 8.70 5.74 0.00 3.16 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 0.00 243 K 8.97 4.59 0.00 0.79 1.34 0.00 1.24 0.00 0.00 1.48 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.21 7.81 244 Y 9.00 4.97 0.00 3.14 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 0.00 245 H 9.65 5.82 0.00 3.45 3.47 0.00 5.40 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 0.00 246 I 9.25 5.41 2.11 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 1.09 0.00 0.00 247 L 9.16 5.30 0.00 1.90 1.61 0.61 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 248 K 9.00 4.67 0.00 1.08 1.29 0.00 1.40 0.00 0.00 1.36 0.00 0.00 2.68 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.63 7.81 249 E 8.92 4.64 0.00 1.95 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 1.89 2.15 0.00 250 N 7.76 4.35 0.00 2.84 2.74 0.00 0.00 6.12 7.81 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 0.00 251 I 8.00 3.57 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.53 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.