NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2331 8.1733 122.1398 55.3875 33.0889 175.2691 3 E 3.7694 8.8817 122.4599 55.3510 27.4726 173.2612 4 L 4.4239 8.3350 122.6483 56.7173 44.3190 176.2318 5 I 4.1748 7.5942 118.4112 61.3984 37.5552 175.7200 6 K 4.6050 9.1729 124.6468 56.5878 34.9370 176.4228 7 V 4.9410 7.7835 119.3476 60.9889 35.0755 174.2468 8 I 4.7709 9.0122 128.6513 59.6078 39.1919 174.2556 9 A 5.3036 8.7653 129.9953 50.3429 20.9704 175.9205 10 F 4.9102 9.2377 120.6973 55.2345 41.9506 174.8678 11 D 4.8072 9.2615 123.6421 54.3830 41.6358 175.1911 12 A 3.6306 8.3721 124.8314 53.7248 20.2315 176.7368 13 D 4.3380 7.3965 114.7520 55.2347 41.2485 176.5200 14 D 4.0098 8.7703 123.1016 54.9690 39.1204 173.8151 15 T 4.4350 7.2965 113.9177 65.1784 70.9080 176.2534 16 L 4.1316 7.8888 121.2483 56.2174 42.3188 176.8975 17 W 5.6961 6.7504 113.1434 54.5849 31.1166 173.7079 18 S 4.6164 8.8103 114.8298 58.5708 62.7888 172.7621 19 N 5.1431 8.8506 123.1495 54.7320 41.6265 175.7880 20 E 4.0162 9.0236 118.7580 58.8773 29.5634 176.9908 21 P 4.3194 0.0000 0.0000 65.5158 31.4604 178.4872 22 F 4.1406 8.2604 116.0411 60.7031 38.8811 177.4751 23 F 3.8957 8.5496 117.3307 60.8188 38.7425 177.8718 24 Q 4.1271 8.7255 117.9784 58.8024 28.4963 178.3408 25 E 3.9891 8.4719 120.6093 59.1172 29.5899 178.9523 26 V 3.6601 7.9511 118.3591 66.1750 31.5805 177.6389 27 E 4.1871 8.6647 119.1554 59.0631 29.4461 178.7315 28 K 4.0040 8.3637 119.7723 59.7352 32.1420 178.7849 29 Q 4.0571 8.0016 116.8538 59.0451 28.9848 177.9261 30 Y 4.3273 8.5175 121.1016 61.1443 38.7883 178.5355 31 T 3.8129 8.3380 110.5924 64.7748 68.5790 176.1083 32 D 4.3720 8.0574 121.1390 57.2569 40.8834 178.4496 33 L 4.1839 7.6540 118.2824 56.4616 41.7630 178.3344 34 L 4.8055 7.1590 118.1741 54.3146 42.0648 178.2802 35 K 3.7931 8.0974 121.5565 59.4001 31.7472 176.8571 36 P 4.0347 0.0000 0.0000 64.7262 31.2374 176.4385 37 Y 4.6550 8.7515 113.9035 56.7261 38.4067 175.4265 38 G 4.3212 6.8771 110.3089 44.0455 0.0000 173.0448 39 T 4.1495 7.9696 111.4386 61.0590 70.6636 175.5584 40 S 4.0717 8.5238 115.4703 61.4588 62.4238 175.8630 41 K 3.8946 8.1464 121.7696 59.8237 31.8757 178.3568 42 E 4.0367 8.1457 118.6292 59.4640 29.3099 179.4693 43 I 3.8279 8.1468 120.1504 64.5558 37.1829 178.6717 44 S 4.2727 8.6423 116.2230 61.5336 62.6236 176.7096 45 A 4.1060 8.3660 123.4180 55.1087 18.1514 179.5882 46 A 4.0262 8.2661 119.4091 55.1135 18.3633 179.6398 47 L 4.0161 8.3061 120.4598 57.7562 41.9865 178.9708 48 F 4.4586 8.2734 120.9018 60.7629 39.4028 176.3343 49 Q 4.0168 8.0647 118.1958 59.6012 29.0776 178.4454 50 T 4.0152 7.8466 116.4332 66.5865 68.4005 176.6560 51 E 3.9093 8.0342 117.6362 57.9103 29.5808 178.5546 *53 N 4.5264 8.0543 117.9183 53.1308 40.6380 175.5280 54 N 4.6429 7.9384 113.6613 53.1887 38.8721 176.6729 55 L 3.7441 7.2373 123.1902 58.3130 41.9948 178.8474 56 Q 4.0657 8.0295 116.0278 57.7361 28.7328 177.3399 57 I 4.2834 7.6092 112.2151 61.4205 39.3508 176.2574 58 L 4.3019 8.3154 119.4643 53.9124 43.3719 178.7986 59 G 3.5007 7.6216 107.0297 46.8749 0.0000 172.7768 60 Y 4.5255 8.2859 121.6359 56.3744 40.7737 173.9329 61 G 3.9020 8.8114 106.4943 44.2886 0.0000 175.0129 62 A 4.2290 8.9384 120.0273 55.0360 18.2707 180.0928 63 K 3.9285 8.7434 116.9505 59.4710 32.1808 179.2746 64 A 3.9997 8.0817 120.5555 55.2719 18.1019 179.1794 65 F 4.2457 8.3785 117.8497 61.8221 39.7669 177.0853 66 T 3.8696 8.2947 115.4490 66.7258 68.2009 176.6122 67 I 3.7263 7.7436 121.5236 64.2718 37.1230 179.8959 68 S 4.4002 7.9555 116.2787 58.2502 62.5745 176.8281 *70 V 4.0127 7.7927 122.2681 63.1058 33.2580 176.9961 71 E 3.9414 8.4013 119.4217 59.8815 28.8955 179.6142 72 T 3.8655 8.2546 115.7143 66.3596 68.3506 176.6227 73 A 3.9531 8.0644 122.2590 55.2256 18.4907 179.5112 74 L 3.8744 8.0872 117.6167 57.8041 41.6590 179.6210 75 Q 3.8322 8.3015 119.7640 59.3337 28.9202 178.1720 76 I 3.7349 7.8542 118.3796 62.9870 38.3010 176.8086 77 S 3.7884 7.4210 113.5866 56.8669 63.2747 173.6315 78 N 4.3740 8.7358 118.7233 54.7006 36.4808 174.7528 79 G 3.9113 8.6676 101.6846 46.4578 0.0000 175.0904 80 K 4.4224 7.6155 116.8959 55.4944 33.4403 176.7930 81 I 3.7521 7.6737 118.8295 60.7633 38.7126 175.1307 82 A 4.1321 8.4817 128.6094 51.8642 19.2152 178.5487 83 A 4.0277 8.7037 123.5915 55.3825 18.4749 179.8423 84 D 4.3238 8.1132 115.9503 57.4542 41.2437 178.4607 85 I 3.7896 7.7559 120.3202 64.2628 37.0704 178.3291 86 I 3.7331 7.7386 120.2992 64.3079 36.9609 178.2596 87 R 3.8994 8.0760 119.5361 59.5751 29.8912 178.5811 88 Q 4.0388 8.1973 117.8258 59.0443 28.6673 178.9665 89 I 3.8074 7.9085 120.9111 64.3729 37.1848 178.6761 90 V 3.6043 7.9825 119.1534 66.0610 31.3678 177.7818 91 D 4.3918 8.3005 118.7094 57.2927 40.4041 178.7590 92 L 4.1200 8.0312 118.8350 57.7258 41.8625 179.4506 93 G 4.0962 7.9809 106.9362 47.4007 0.0000 175.9650 94 K 4.0749 8.2354 121.2903 58.8068 31.9987 179.4380 95 S 4.0977 8.1737 114.8811 61.6178 62.4383 176.6283 96 L 3.7652 7.4043 121.2008 57.4100 41.4149 178.9668 97 L 4.4582 7.4476 116.5373 54.7744 41.7135 176.9301 98 K 4.3061 7.3058 119.0870 53.5932 34.4012 173.8871 *100 P 3.9330 0.0000 0.0000 62.4167 32.2728 175.8963 101 I 3.8457 7.9326 120.9773 60.0619 37.8831 175.1365 102 E 4.6997 8.5460 125.7343 54.2272 31.3774 175.7028 103 L 4.8482 8.6434 124.8089 54.9155 42.7601 177.4225 104 L 4.5645 8.8929 122.2669 53.1797 43.5944 174.7935 105 P 4.3505 0.0000 0.0000 64.3682 31.7691 177.6053 106 G 3.9934 8.9879 109.9664 45.2713 0.0000 175.5947 107 V 3.4907 7.6966 119.2635 65.9039 31.5758 177.6235 108 K 3.8902 8.0639 119.0610 59.5791 31.7823 178.3508 109 E 3.9228 8.0590 117.3195 59.5230 29.5611 179.0828 110 T 3.8305 7.8368 116.5955 66.4695 68.5799 176.6558 111 L 3.5956 7.5753 120.7404 57.3184 41.4431 179.4031 112 K 3.1591 7.1011 119.4153 59.6668 32.0595 178.9505 113 T 3.8051 7.6726 115.7626 66.5369 68.1195 176.7387 114 L 4.0352 7.8101 120.0300 57.5708 41.9574 178.9985 115 K 4.0516 8.2951 119.9629 59.8505 31.9438 178.7177 116 E 4.1015 8.2400 117.4123 59.2339 29.3487 179.0976 117 T 4.0409 7.7094 109.3599 62.6419 68.7908 175.4496 118 G 3.9006 7.6788 107.3837 45.9195 0.0000 174.0505 119 K 3.9471 8.0530 122.1551 57.3354 32.6031 176.4202 120 Y 5.0731 7.4860 114.3140 55.7149 41.1103 175.4995 121 K 4.3837 9.1705 124.7152 56.1352 34.0273 175.4053 122 L 5.5277 8.7066 126.4117 53.2663 44.6003 175.8137 123 V 5.1172 9.0658 116.1668 59.6387 36.6710 174.5242 124 V 4.4541 8.1345 122.4131 61.6811 33.1564 174.5935 125 A 5.1167 9.0481 130.0329 50.5740 21.2102 174.6682 126 T 4.6191 8.5017 115.5518 61.1524 71.4598 173.7732 127 K 4.4874 8.3343 126.7214 55.7231 33.7910 174.2206 128 G 3.7263 8.6094 105.5808 44.3423 0.0000 173.2923 129 D 4.5183 8.7358 118.9198 53.6196 41.9366 176.7912 130 L 3.9252 8.5983 126.3398 58.2974 42.1452 178.8240 131 L 3.9263 7.8831 119.5984 58.0820 41.9860 178.1150 132 D 4.2964 8.0634 117.3709 57.6094 41.2790 178.1098 133 Q 4.0858 8.2596 118.4614 59.0275 28.7119 178.5771 134 E 3.9923 8.5139 119.9102 59.6627 29.5227 179.3557 135 N 4.2971 8.5038 116.6660 56.1323 38.6250 177.5293 136 K 3.5209 8.2338 120.2950 59.2681 31.8765 179.0322 137 L 4.0629 7.6962 119.1476 58.1062 42.2102 178.2532 138 E 4.0741 8.0972 119.4671 59.2715 29.4565 178.6338 139 R 4.1102 7.7686 113.4904 57.7691 29.9048 178.2208 140 S 4.1607 7.6194 115.0712 59.6348 63.1017 175.4332 141 G 3.9590 7.8226 109.7453 45.9040 0.0000 174.4289 142 L 4.5100 8.1064 119.3580 55.3577 41.9627 178.3895 143 S 4.3158 8.1736 115.2049 61.3974 62.3930 174.6708 144 P 4.2337 0.0000 0.0000 64.9208 31.0898 177.3953 145 Y 4.4373 7.3946 114.2285 58.0498 38.3014 175.2329 146 F 5.0420 7.4153 118.8918 55.5235 41.0582 175.1326 147 D 4.7022 9.5909 126.8423 57.2325 41.6729 175.2526 148 H 4.7327 7.9067 111.0349 55.4258 31.8022 171.5143 149 I 4.6130 8.3996 119.0074 59.7129 38.9307 175.2386 150 E 4.4501 9.1872 128.9580 54.7304 30.8654 175.6307 151 V 4.9402 8.4196 127.4294 61.2105 32.9878 175.7300 *153 S 4.4323 8.5299 115.6648 57.9909 64.4926 172.4599 154 D 4.3333 7.3289 117.9471 54.0024 44.1002 174.9477 155 K 4.2643 8.1913 118.2014 54.6613 32.1922 175.3182 156 T 4.6863 8.1406 112.2565 59.4390 73.2232 175.0940 157 E 4.0430 8.6875 119.8773 59.5146 29.4319 179.2408 158 K 3.8030 8.2023 119.0036 60.0444 32.0985 178.4190 159 E 3.9673 7.6901 118.4966 59.4626 29.1704 178.9857 160 Y 4.0581 8.0138 116.9934 60.9271 37.8335 178.3511 161 L 4.0470 8.5952 120.4633 57.7235 41.6469 179.5835 162 R 3.8605 7.8773 118.4989 59.1698 30.0688 178.1562 163 L 3.9361 8.0177 120.1946 58.3573 42.1093 178.9371 164 L 4.0416 8.3630 119.1749 57.8353 41.5146 179.5432 165 S 4.0973 8.3004 113.0423 61.5319 62.1631 176.2128 166 I 3.7307 7.7050 121.2368 64.3061 36.9805 177.7326 167 L 4.2540 7.9401 116.7385 54.3558 42.0261 176.6324 168 Q 3.5646 8.1850 117.3577 56.9354 26.6490 172.9470 169 I 4.7294 7.7438 108.3944 58.9353 41.2790 174.3960 170 A 4.5284 8.8996 123.9347 50.3004 20.0581 176.7429 171 P 4.2850 0.0000 0.0000 65.8606 31.4055 178.7986 172 S 4.7076 7.9580 109.1191 59.2175 63.3504 174.1862 173 E 4.8141 8.3819 120.1761 55.5134 29.9456 174.4669 174 L 5.0337 7.9627 122.9251 53.2944 44.5168 175.2578 175 L 5.4835 8.3615 127.5316 52.2426 45.9760 174.5385 *177 V 4.1511 8.1192 118.5852 62.9751 32.7619 174.5201 178 G 4.5881 8.5464 113.6116 45.9121 0.0000 173.4063 179 N 5.2140 8.9443 115.8243 52.9319 38.2942 174.9797 180 S 4.6136 8.3216 115.0575 56.2808 63.1816 174.0905 181 F 3.7549 8.8600 130.9317 61.1249 39.5295 177.0041 182 K 4.0534 8.2932 119.9398 59.3023 32.1937 177.4003 183 S 4.5263 7.9396 112.7432 59.8286 63.7466 175.0530 184 D 4.7953 8.2149 118.5179 54.7682 41.4892 177.3821 185 I 3.9206 7.0671 117.5213 62.7780 38.5168 177.3748 186 Q 3.5390 7.5930 118.7287 58.8018 28.6836 178.0551 187 P 4.1249 0.0000 0.0000 65.3179 31.2933 178.9472 188 V 3.2297 7.0220 116.6248 65.7084 31.4815 177.8824 189 L 3.8732 7.7062 118.8590 57.8717 41.2205 179.3173 190 S 4.0633 7.8693 111.9141 61.5164 62.3228 175.9482 191 L 4.1981 7.4638 119.7683 55.5025 41.6520 177.2554 192 G 3.7480 7.4239 106.0363 44.9901 0.0000 173.9567 193 G 4.0766 7.9107 108.2210 45.2984 0.0000 172.6203 194 Y 4.8291 8.7514 116.5760 56.0592 41.1696 175.7471 195 G 4.1175 9.0488 108.8271 44.3770 0.0000 171.6226 196 V 4.9233 8.2012 122.3167 61.1207 34.5054 173.5238 197 H 5.2017 9.3010 129.5569 55.3137 31.4978 173.8431 198 I 5.2224 8.3620 127.2996 57.4952 38.2575 173.1183 199 P 4.4437 0.0000 0.0000 62.2728 31.9870 175.8176 200 F 4.5850 8.7034 123.9711 56.5902 40.4057 174.9515 201 E 4.1389 7.8226 128.2004 54.5404 29.2752 174.8515 *210 E 3.9692 8.3852 124.1939 55.9312 30.5485 174.7412 211 T 3.3974 7.9249 114.2589 59.1566 71.9753 172.5159 212 F 4.8728 6.6167 114.6118 54.7081 40.9022 174.3658 213 A 4.3694 8.5392 124.6382 52.7570 19.3300 176.4610 214 H 4.8760 8.3192 117.2807 54.7583 32.7527 174.6662 215 E 4.0211 8.6918 123.4865 59.1449 29.6100 177.7364 216 R 4.4965 8.2198 117.1782 55.5829 30.3136 174.6204 217 L 5.2683 8.0274 119.6623 53.2421 44.8657 175.8623 218 K 4.7615 8.9796 124.2569 54.6012 36.1294 174.6299 219 Q 5.1367 8.7174 124.3997 54.6019 30.8560 174.8189 220 V 4.5264 8.5077 118.2885 59.5344 35.8668 176.7665 221 K 3.9917 8.8869 123.1012 58.5649 32.7004 177.0692 222 R 4.7631 7.8855 113.4975 53.0735 32.7818 175.6461 223 L 4.0423 8.5826 120.6469 58.2969 42.1021 178.8692 224 D 4.9736 8.0254 119.6621 55.6164 39.3547 177.9350 225 D 4.4429 8.2363 120.4683 56.6092 40.8147 177.8803 226 L 3.9776 7.9864 121.6409 58.3329 41.6881 178.9739 227 L 4.0405 7.9476 118.9743 57.7950 41.4256 179.6599 228 S 4.1693 7.7721 113.3542 61.2140 62.7506 176.4720 229 L 4.0304 7.5593 121.3246 57.0548 41.4085 178.5632 230 L 4.3396 7.5924 117.5065 55.7345 41.8743 177.0065 231 G 3.7621 7.5275 112.7561 45.5189 0.0000 173.4844 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 K 8.17 4.23 0.00 1.70 1.78 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 3 E 8.88 3.77 0.00 2.14 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 2.20 2.28 0.00 4 L 8.34 4.42 0.00 1.59 1.49 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.59 4.17 1.96 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.66 0.91 0.00 0.00 6 K 9.17 4.60 0.00 1.70 1.87 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.52 7.81 7 V 7.78 4.94 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 1.14 0.00 0.00 1.00 0.00 0.00 8 I 9.01 4.77 1.85 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.53 0.31 0.00 0.00 9 A 8.77 5.30 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 10 F 9.24 4.91 0.00 3.00 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 11 D 9.26 4.81 0.00 2.71 2.60 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 12 A 8.37 3.63 0.80 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 0.00 0.00 13 D 7.40 4.34 0.00 2.53 2.53 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 0.00 14 D 8.77 4.01 0.00 2.65 1.67 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 15 T 7.30 4.44 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 1.30 0.00 0.00 16 L 7.89 4.13 0.00 0.65 1.58 0.62 0.72 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 17 W 6.75 5.70 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 18 S 8.81 4.62 0.00 4.21 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 19 N 8.85 5.14 0.00 2.98 2.80 0.00 0.00 6.82 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 20 E 9.02 4.02 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 21 P 0.00 4.32 0.00 2.05 2.08 0.00 3.81 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 22 F 8.26 4.14 0.00 3.33 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 23 F 8.55 3.90 0.00 3.28 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 24 Q 8.73 4.13 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 25 E 8.47 3.99 0.00 2.10 2.15 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 2.33 2.41 0.00 26 V 7.95 3.66 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.95 0.00 0.00 27 E 8.66 4.19 0.00 2.38 2.26 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 2.52 2.60 0.00 28 K 8.36 4.00 0.00 1.94 2.03 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.53 7.81 29 Q 8.00 4.06 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 30 Y 8.52 4.33 0.00 3.05 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 31 T 8.34 3.81 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 1.50 0.00 0.00 32 D 8.06 4.37 0.00 2.90 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 33 L 7.65 4.18 0.00 1.66 1.68 0.97 0.95 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 34 L 7.16 4.81 0.00 1.46 1.71 0.39 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.10 3.79 0.00 1.72 1.81 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.72 7.81 36 P 0.00 4.03 0.00 0.66 1.67 0.00 3.40 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 37 Y 8.75 4.65 0.00 3.09 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 38 G 6.88 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 0.00 0.00 0.00 0.00 39 T 7.97 4.15 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 40 S 8.52 4.07 0.00 3.94 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 41 K 8.15 3.89 0.00 1.88 1.83 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.57 7.81 42 E 8.15 4.04 0.00 2.36 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 43 I 8.15 3.83 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.88 0.93 0.00 0.00 44 S 8.64 4.27 0.00 4.11 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 45 A 8.37 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.27 4.03 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.31 4.02 0.00 1.94 2.00 0.56 0.71 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 48 F 8.27 4.46 0.00 3.15 3.29 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 49 Q 8.06 4.02 0.00 2.24 2.38 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 2.37 2.40 0.00 50 T 7.85 4.02 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 1.22 0.00 0.00 51 E 8.03 3.91 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 *53 N 8.05 4.53 0.00 2.80 2.87 0.00 0.00 7.05 8.00 0.00 0.00 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 7.94 4.64 0.00 2.74 2.76 0.00 0.00 6.51 6.28 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 55 L 7.24 3.74 0.00 1.82 1.53 0.27 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.03 4.07 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 57 I 7.61 4.28 1.84 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 1.60 0.60 0.89 0.00 0.00 58 L 8.32 4.30 0.00 1.66 1.71 0.88 0.83 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 59 G 7.62 3.50 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 60 Y 8.29 4.53 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 61 G 8.81 3.90 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 0.00 0.00 0.00 62 A 8.94 4.23 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.74 3.93 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 64 A 8.08 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.38 4.25 0.00 3.19 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.29 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 67 I 7.74 3.73 1.85 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 1.50 0.70 0.88 0.00 0.00 68 S 7.96 4.40 0.00 3.74 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 *70 V 7.79 4.01 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 1.06 0.00 0.00 0.98 0.00 0.00 71 E 8.40 3.94 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 72 T 8.25 3.87 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 73 A 8.06 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.09 3.87 0.00 1.82 1.69 0.90 0.94 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 75 Q 8.30 3.83 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 76 I 7.85 3.73 1.88 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 1.51 0.89 0.65 0.00 0.00 77 S 7.42 3.79 0.00 3.83 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.74 4.37 0.00 2.85 2.88 0.00 0.00 6.90 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.67 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 80 K 7.62 4.42 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.50 7.81 81 I 7.67 3.75 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.89 0.00 0.00 82 A 8.48 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.70 4.03 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 84 D 8.11 4.32 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.76 3.79 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.77 0.92 0.00 0.00 86 I 7.74 3.73 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.99 0.92 0.00 0.00 87 R 8.08 3.90 0.00 1.89 2.10 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 88 Q 8.20 4.04 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 89 I 7.91 3.81 2.07 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 1.72 0.80 0.94 0.00 0.00 90 V 7.98 3.60 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 1.03 0.00 0.00 0.96 0.00 0.00 91 D 8.30 4.39 0.00 2.92 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 92 L 8.03 4.12 0.00 1.87 1.78 1.07 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.24 4.07 0.00 1.96 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 95 S 8.17 4.10 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.40 3.77 0.00 1.62 1.40 0.59 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.45 4.46 0.00 1.70 1.69 0.92 1.11 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 98 K 7.31 4.31 0.00 1.64 1.62 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.28 7.81 *100 P 0.00 3.93 0.00 2.18 2.04 0.00 3.19 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 101 I 7.93 3.85 1.61 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.36 0.47 0.00 0.00 102 E 8.55 4.70 0.00 2.13 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 2.41 2.45 0.00 103 L 8.64 4.85 0.00 1.64 1.74 1.03 1.40 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 0.00 104 L 8.89 4.56 0.00 1.70 1.70 1.16 1.27 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 0.00 105 P 0.00 4.35 0.00 2.06 2.03 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 106 G 8.99 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 0.00 107 V 7.70 3.49 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 1.06 0.00 0.00 1.07 0.00 0.00 108 K 8.06 3.89 0.00 1.92 1.81 0.00 1.82 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.65 7.81 109 E 8.06 3.92 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 110 T 7.84 3.83 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 1.23 0.00 0.00 111 L 7.58 3.60 0.00 1.11 1.07 0.84 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.10 3.16 0.00 1.36 1.73 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.51 7.81 113 T 7.67 3.81 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 1.20 0.00 0.00 114 L 7.81 4.04 0.00 1.68 1.79 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.30 4.05 0.00 1.92 2.06 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.63 7.81 116 E 8.24 4.10 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 117 T 7.71 4.04 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 1.29 0.00 0.00 118 G 7.68 3.90 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 0.00 0.00 0.00 119 K 8.05 3.95 0.00 1.48 1.24 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.87 7.81 120 Y 7.49 5.07 0.00 2.92 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 0.00 121 K 9.17 4.38 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.52 7.81 122 L 8.71 5.53 0.00 1.65 1.63 0.86 1.08 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 0.00 123 V 9.07 5.12 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 0.77 0.00 0.00 1.00 0.00 0.00 124 V 8.13 4.45 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 0.66 0.00 0.00 -0.11 0.00 0.00 125 A 9.05 5.12 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.50 4.62 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 1.17 0.00 0.00 127 K 8.33 4.49 0.00 1.47 1.58 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.36 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.20 1.19 7.81 128 G 8.61 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 0.00 0.00 0.00 129 D 8.74 4.52 0.00 2.74 2.64 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 0.00 130 L 8.60 3.93 0.00 1.76 1.68 0.98 0.55 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 0.00 131 L 7.88 3.93 0.00 1.79 1.65 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.06 4.30 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 0.00 133 Q 8.26 4.09 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 134 E 8.51 3.99 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 135 N 8.50 4.30 0.00 2.82 2.78 0.00 0.00 7.06 7.30 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 0.00 136 K 8.23 3.52 0.00 1.86 1.08 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.14 1.47 7.81 137 L 7.70 4.06 0.00 1.86 1.90 1.07 0.73 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 0.00 138 E 8.10 4.07 0.00 2.11 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 2.28 2.33 0.00 139 R 7.77 4.11 0.00 1.90 1.94 0.00 2.99 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.38 0.00 140 S 7.62 4.16 0.00 4.23 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 0.00 141 G 7.82 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 0.00 142 L 8.11 4.51 0.00 2.08 2.15 1.23 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.17 4.32 0.00 4.07 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 0.00 144 P 0.00 4.23 0.00 1.39 1.94 0.00 3.32 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 145 Y 7.39 4.44 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 7.42 5.04 0.00 3.14 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 0.00 147 D 9.59 4.70 0.00 2.75 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 0.00 148 H 7.91 4.73 0.00 3.24 3.42 0.00 5.48 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.40 4.61 1.87 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 1.12 0.61 0.87 0.00 0.00 150 E 9.19 4.45 0.00 2.02 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 2.17 2.21 0.00 151 V 8.42 4.94 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 1.13 0.00 0.00 0.92 0.00 0.00 *153 S 8.53 4.43 0.00 4.08 4.03 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 0.00 154 D 7.33 4.33 0.00 2.66 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 0.00 155 K 8.19 4.26 0.00 1.61 1.96 0.00 1.63 0.00 0.00 2.03 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.92 1.13 7.81 156 T 8.14 4.69 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 0.00 157 E 8.69 4.04 0.00 2.06 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 0.00 2.57 2.40 0.00 158 K 8.20 3.80 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.57 7.81 159 E 7.69 3.97 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 160 Y 8.01 4.06 0.00 3.10 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 0.00 161 L 8.60 4.05 0.00 1.90 1.74 0.94 0.84 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 0.00 162 R 7.88 3.86 0.00 1.90 2.11 0.00 3.09 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 163 L 8.02 3.94 0.00 1.75 1.91 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.36 4.04 0.00 1.88 1.94 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.30 4.10 0.00 3.98 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 0.00 166 I 7.70 3.73 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.93 0.00 0.00 167 L 7.94 4.25 0.00 1.81 1.76 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.18 3.56 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 169 I 7.74 4.73 2.02 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 1.27 0.70 0.99 0.00 0.00 170 A 8.90 4.53 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.29 0.00 2.21 2.11 0.00 3.61 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 2.20 2.10 0.00 172 S 7.96 4.71 0.00 4.15 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.38 4.81 0.00 2.25 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 2.46 2.23 0.00 174 L 7.96 5.03 0.00 1.80 1.68 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.36 5.48 0.00 1.66 1.32 0.91 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 *177 V 8.12 4.15 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 0.98 0.00 0.00 0.40 0.00 0.00 178 G 8.55 4.59 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 0.00 0.00 0.00 179 N 8.94 5.21 0.00 2.96 3.14 0.00 0.00 6.25 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 0.00 180 S 8.32 4.61 0.00 3.85 3.90 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 0.00 181 F 8.86 3.75 0.00 2.81 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 0.00 182 K 8.29 4.05 0.00 1.82 1.84 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 183 S 7.94 4.53 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 D 8.21 4.80 0.00 2.66 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 0.00 185 I 7.07 3.92 1.27 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 1.61 0.81 0.48 0.00 0.00 186 Q 7.59 3.54 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.29 1.56 0.00 187 P 0.00 4.12 0.00 1.93 2.12 0.00 3.22 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 188 V 7.02 3.23 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 0.98 0.00 0.00 0.01 0.00 0.00 189 L 7.71 3.87 0.00 1.66 1.41 0.69 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 190 S 7.87 4.06 0.00 3.87 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 0.00 191 L 7.46 4.20 0.00 1.74 1.68 0.99 1.15 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 0.00 192 G 7.42 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 0.00 193 G 7.91 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 0.00 0.00 0.00 194 Y 8.75 4.83 0.00 3.04 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 0.00 195 G 9.05 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 0.00 196 V 8.20 4.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.88 0.00 0.00 197 H 9.30 5.20 0.00 3.27 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 I 8.36 5.22 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 1.25 2.06 0.94 0.00 0.00 199 P 0.00 4.44 0.00 2.14 1.94 0.00 3.68 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 200 F 8.70 4.59 0.00 3.08 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 0.00 201 E 7.82 4.14 0.00 1.77 1.77 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 2.12 2.12 0.00 *210 E 8.39 3.97 0.00 1.92 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 2.18 2.34 0.00 211 T 7.92 3.40 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 0.66 0.00 0.00 212 F 6.62 4.87 0.00 3.06 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 0.00 213 A 8.54 4.37 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 H 8.32 4.88 0.00 3.41 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 E 8.69 4.02 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 216 R 8.22 4.50 0.00 1.61 1.33 0.00 2.30 0.00 0.00 2.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.40 0.00 217 L 8.03 5.27 0.00 1.58 1.71 0.96 0.49 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 0.00 218 K 8.98 4.76 0.00 1.69 1.64 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.51 7.81 219 Q 8.72 5.14 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 220 V 8.51 4.53 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 0.70 0.00 0.00 0.97 0.00 0.00 221 K 8.89 3.99 0.00 1.70 1.81 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 222 R 7.89 4.76 0.00 2.03 1.95 0.00 2.83 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 223 L 8.58 4.04 0.00 1.83 1.74 1.08 1.13 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 0.00 224 D 8.03 4.97 0.00 2.90 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 D 8.24 4.44 0.00 2.83 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 0.00 226 L 7.99 3.98 0.00 1.78 1.88 0.84 0.49 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 0.00 227 L 7.95 4.04 0.00 1.84 1.70 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 228 S 7.77 4.17 0.00 4.18 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 0.00 229 L 7.56 4.03 0.00 1.82 1.75 0.91 0.80 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 0.00 230 L 7.59 4.34 0.00 1.76 1.78 0.76 0.60 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 0.00 231 G 7.53 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.