NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.6646 8.1449 118.3490 57.8496 38.9386 174.9125 3 Q 3.8696 8.5089 124.7681 56.6812 30.1986 170.6227 4 V 4.4969 8.0524 120.0461 60.7547 34.8387 174.0437 5 V 4.7291 8.5744 128.1902 61.1483 33.4822 173.9034 6 A 5.2578 9.2062 130.3931 50.2811 21.6951 175.1293 7 S 5.1940 8.9826 116.3372 56.4665 66.2830 173.1518 8 D 5.3582 9.2487 126.5358 54.5262 42.1502 175.0026 9 L 4.4713 8.6281 119.6665 56.2880 43.1170 176.1596 10 D 4.4482 7.7126 116.4728 55.8205 41.3428 177.9083 11 G 4.1878 8.8629 111.4037 46.5616 0.0000 173.0491 12 T 4.3928 6.9249 113.1487 64.2976 71.6042 175.8907 13 L 4.0718 7.0561 128.7558 57.9950 43.1831 178.0151 14 L 4.3425 7.8825 118.0577 53.9811 42.3522 176.9104 15 S 4.3924 8.8263 117.2719 57.3467 63.6126 173.5648 16 P 4.3953 0.0000 0.0000 65.2734 31.0393 177.1072 17 D 4.5832 7.9333 116.2520 54.0028 40.7153 175.8045 18 H 3.9363 8.1176 114.7034 56.8931 26.6903 174.6656 19 F 5.0461 7.6079 116.3968 55.5714 41.5535 174.7987 20 L 4.7406 8.3576 125.1818 53.7178 42.0648 177.1636 21 T 4.1392 8.2353 117.3775 61.0508 70.8015 173.1777 22 P 4.1825 0.0000 0.0000 65.9659 31.1644 178.3509 23 Y 3.9193 8.0634 117.6496 60.6077 38.7719 177.9198 24 A 4.0803 8.2086 121.6778 55.0556 18.5688 179.6118 25 K 3.7253 8.2416 117.3577 59.7321 32.0574 179.1961 26 E 3.8757 8.3775 119.6894 59.4054 29.5035 178.9802 27 T 3.7190 7.6290 115.9418 66.4168 68.4211 176.6225 28 L 3.4348 7.6767 120.9171 57.4746 41.5683 179.7493 29 K 3.9271 7.8200 118.2391 59.4694 31.5634 179.4592 30 L 3.9996 8.1307 119.5340 57.8082 41.5476 179.5820 31 L 3.8379 8.1216 118.8831 57.7522 41.6091 179.5541 32 T 4.1620 8.2967 115.8005 66.6557 68.2040 176.5136 33 A 4.1649 8.0918 121.3131 54.2531 18.3264 178.7895 34 R 4.5216 7.2127 114.8238 55.7785 30.5518 177.3212 35 G 3.9759 7.9718 106.5623 45.3512 0.0000 174.1181 36 I 3.9325 7.5173 120.4970 60.9748 37.9782 175.2672 37 N 4.9594 8.8375 123.9501 52.0013 40.3742 174.0019 38 F 5.0041 8.7075 120.4096 55.5495 42.7130 174.3534 39 V 4.6046 8.4949 122.5578 61.1364 34.3495 173.9005 40 F 5.4808 8.5704 126.3105 55.8007 40.9678 175.1324 41 A 4.9952 9.1054 125.0604 50.5079 21.6359 174.8453 42 T 4.9035 9.1999 116.9770 60.4443 70.9797 174.9786 43 G 3.7418 8.7404 112.9934 47.4451 0.0000 174.5147 44 R 4.0505 7.8359 119.4289 56.2374 30.9239 175.5901 45 H 4.4279 8.2973 119.0794 55.6518 30.9188 175.4708 46 Y 3.9559 8.2314 125.4402 61.1065 38.5309 178.8322 47 I 3.4681 7.6285 119.9105 63.9636 36.9227 177.1349 48 D 4.4117 7.3158 116.9645 55.4085 41.3229 177.4761 49 V 4.2078 6.8792 111.6265 61.2711 31.7891 177.5388 50 G 3.4588 7.2019 106.8881 48.2130 0.0000 176.1560 51 Q 3.9810 7.8138 120.5609 58.3055 29.3826 177.9791 52 I 3.7928 7.4963 120.8764 64.3229 36.8714 178.4351 53 R 3.8629 8.1693 117.2019 59.2026 28.9780 178.3472 54 D 4.4340 7.9531 118.4688 55.9642 40.8684 177.1140 55 N 4.8330 7.5663 114.7131 52.8768 39.3696 176.0833 56 L 3.9489 7.3876 121.3770 55.8882 41.8065 178.5011 57 G 3.9492 8.3156 104.6404 45.2517 0.0000 172.7126 58 I 4.6672 7.0613 111.0815 58.7153 40.7634 174.8216 59 R 4.3166 8.4479 120.7375 55.8876 30.6233 176.2225 60 S 4.7425 8.1757 117.4094 57.4972 67.6944 174.6205 61 Y 4.7407 7.8239 119.0834 57.0756 40.8641 173.9322 *63 I 4.4374 8.2365 120.6301 62.4435 38.9918 175.1731 64 T 4.9789 8.4005 116.4301 59.1438 73.0912 173.5856 65 S 3.7534 9.4720 113.7209 58.8082 61.1665 172.4818 66 N 4.5020 9.3075 111.4738 54.4555 36.4614 176.5424 67 G 4.1728 8.2959 105.8529 45.2245 0.0000 175.2942 68 A 4.3125 8.0488 122.3271 54.2324 18.9443 177.4282 69 R 5.1779 7.7164 113.5853 53.2428 34.9206 174.6330 70 V 4.4640 7.3913 120.5047 61.3714 34.8687 173.6803 71 H 5.2725 8.7007 123.8709 53.9144 32.5236 173.7605 72 D 4.4013 8.6512 121.9848 51.9386 40.8433 177.2828 73 S 4.2245 8.0933 112.7626 60.5933 62.9155 174.4825 74 D 4.5550 8.2199 119.5504 54.1254 40.9139 177.0909 75 G 4.2855 8.3129 107.8767 45.2294 0.0000 173.6964 76 Q 4.0398 8.2637 120.0207 54.9929 29.3060 175.1562 77 Q 3.8978 8.3335 124.2957 55.6517 29.1391 175.4518 78 I 4.1068 8.5915 128.1950 63.9865 37.5549 176.4801 79 F 5.0693 7.4058 114.4355 55.3861 41.6958 173.4947 80 A 4.9065 8.6511 120.5589 51.0523 21.1639 175.7127 81 H 4.8166 9.6205 120.7223 55.4551 29.0524 174.9501 82 N 5.0522 8.4655 120.5076 51.4564 40.5520 175.1130 83 L 4.1482 8.4735 120.8594 54.5306 42.5100 177.4887 84 D 4.3418 8.5097 121.9349 54.3801 41.7020 177.3727 85 R 3.9362 8.8400 123.6379 59.8207 30.0706 178.5039 86 D 4.2888 7.9426 118.1365 56.4881 39.4165 178.5059 87 I 3.2526 7.4276 120.4600 63.7586 37.1341 177.9394 88 A 3.5290 7.8608 121.6432 54.9783 17.8986 179.4406 89 A 3.4657 7.4370 117.9793 55.2357 18.7177 179.3860 90 D 4.5502 7.9155 116.8723 57.6670 39.4574 178.8954 91 L 4.3625 8.3826 119.8052 58.0913 41.3437 179.6309 92 F 4.9740 8.1733 116.9781 59.8640 39.0884 175.7835 93 E 4.8122 7.9637 113.9662 55.4841 31.2226 177.2354 94 I 3.8878 8.1920 120.0251 63.6681 38.2147 176.7957 95 V 4.5238 7.5777 112.9195 60.4421 32.6540 177.7742 96 R 3.8532 8.1039 121.1168 59.8504 29.9342 176.7969 97 N 4.6411 8.0487 111.3534 53.1278 38.6002 174.4404 98 D 4.6522 7.8659 120.2170 52.2382 40.7332 175.3733 99 P 4.3737 0.0000 0.0000 64.8260 31.6376 177.6517 100 K 4.1770 8.1356 117.9857 57.7257 32.4200 176.6962 101 I 4.8137 7.2983 119.4378 59.3708 39.5567 175.2531 102 V 4.3411 8.7669 126.4522 61.5458 33.6829 174.3949 103 T 4.6107 9.0240 125.3417 62.5084 69.4898 173.9620 104 N 5.1081 8.5232 124.2050 51.2666 41.9811 173.9384 105 V 4.7567 8.9595 121.5628 61.5259 35.5580 173.7938 106 Y 5.6284 9.1753 125.9628 57.0493 39.3490 174.7479 107 R 4.7501 9.2443 126.7813 54.1586 31.9558 176.9502 108 E 4.0057 9.0709 129.0089 58.2280 29.3773 175.4717 109 D 4.9703 9.1703 125.9851 55.1002 41.0558 175.1264 110 E 4.8984 8.6961 119.8706 54.2564 33.1411 174.6539 111 W 5.6042 8.4509 132.0239 56.3591 33.2767 174.2715 112 Y 5.7000 9.7564 125.7608 55.4532 40.5490 175.8155 *114 N 3.8539 8.7237 115.7194 52.8930 39.0636 174.3680 115 R 4.3676 7.1579 111.4731 54.7479 31.8266 174.0586 116 H 4.0326 8.5082 116.3218 56.1515 29.1636 176.0442 117 R 4.1614 8.1810 122.4676 55.7001 30.5217 173.9885 118 P 4.4334 0.0000 0.0000 63.2589 31.6620 176.3909 *128 V 3.7365 7.7076 118.3837 63.6795 31.4226 174.6316 129 F 4.9392 8.7237 129.4021 56.6822 40.3396 173.7139 130 N 4.7891 8.5214 125.3163 51.9094 40.4194 173.7209 131 Y 4.5329 7.0278 116.7664 55.1213 40.8672 175.0222 132 K 4.5469 8.2580 118.9383 54.5248 35.6907 175.7778 133 L 4.8922 8.4378 122.4584 54.1503 43.1909 175.8833 134 Y 5.0178 8.0097 118.2930 55.4249 41.0604 174.7896 135 E 4.4022 8.8162 122.4003 53.8516 31.3950 173.8134 136 P 4.7562 0.0000 0.0000 63.9948 31.4966 177.1971 137 G 4.0551 9.2347 112.0819 45.5054 0.0000 173.2886 138 E 4.3775 8.1693 116.7201 55.8682 29.7680 175.5974 139 L 4.2478 7.4140 121.0575 52.9515 44.0587 175.2738 140 D 4.4831 8.4308 126.2927 53.7662 41.5889 173.5636 141 P 4.7925 0.0000 0.0000 63.0069 31.4216 175.4927 142 Q 4.5715 7.8994 117.3756 55.9028 30.9111 175.6882 143 G 3.8068 8.7660 108.1587 46.3085 0.0000 172.9998 144 I 4.7837 7.6327 121.6074 60.0882 37.1110 176.7198 145 S 4.4740 8.9752 124.1747 61.1267 63.7571 174.7325 146 K 4.6891 7.8623 116.2384 55.8772 35.5414 174.3495 147 V 4.9244 8.4264 121.8738 61.0479 34.3684 174.2976 148 F 5.2573 8.6360 122.2050 55.0540 41.4242 173.4986 149 F 5.3037 9.5723 121.6323 56.1984 40.8210 174.5879 150 T 5.2244 8.7060 115.1755 60.3984 70.9354 173.5833 151 C 5.0032 8.9364 124.7249 58.4637 34.8961 174.7241 152 E 3.9036 9.2015 126.1559 58.8170 29.4513 176.3650 153 D 4.6456 7.9423 118.6084 52.9853 40.7843 175.8186 154 H 4.3809 8.9265 127.0746 59.5301 29.6136 176.6164 155 E 3.9565 8.3438 119.6788 59.6369 29.0302 178.6488 156 H 4.0588 8.0797 117.5762 58.8145 30.2099 176.8797 157 L 4.2117 8.0001 120.9117 56.9945 41.5548 178.9703 158 L 4.1762 7.5259 119.0917 57.7182 41.6282 177.9333 159 P 4.3089 0.0000 0.0000 65.1204 31.0344 178.4694 160 L 3.8488 7.7117 118.4912 57.6813 42.0922 178.0565 161 E 4.0748 8.1253 121.1321 59.8768 29.9157 179.1167 162 Q 4.2250 8.0039 120.3056 60.1758 28.1290 180.9462 163 A 4.2106 7.7840 119.2144 53.0343 18.1935 178.7533 *165 N 4.6408 8.1427 119.5488 54.6478 40.6139 176.9507 166 A 4.0122 8.0360 120.0631 54.9162 18.7867 178.8358 167 R 3.7486 8.0404 115.7813 58.4339 30.3611 177.2365 168 W 4.8769 7.9942 115.5200 55.3142 32.8509 176.9878 169 G 3.8695 8.0045 106.9496 46.1986 0.0000 176.8139 170 D 4.4541 8.9505 124.1439 57.2283 40.5823 178.4200 171 R 4.1472 7.7894 115.9421 57.8773 30.2760 176.5566 172 V 4.5611 7.5432 109.6037 59.3763 35.9645 174.9077 173 N 4.8282 8.6783 120.9452 52.0991 40.9606 173.0315 174 V 4.5724 8.3683 126.9119 61.7665 32.8991 175.2331 175 S 4.8395 9.2096 123.6182 56.8473 67.4351 173.8708 176 F 4.7310 9.1119 122.5254 57.4793 38.9499 174.4176 177 S 4.6322 8.1370 117.8443 59.1538 64.3653 176.1794 178 T 4.4662 7.3259 109.8836 59.0275 70.7493 175.6921 179 L 3.8149 8.4462 120.8266 57.1862 41.8342 178.3248 180 T 4.7183 7.7930 106.4909 60.5518 69.3045 173.2487 181 C 5.2244 8.2290 122.7760 58.1267 34.6317 172.3870 182 L 4.4751 9.1926 130.5247 53.6502 43.0987 174.8991 183 E 5.2116 9.2072 126.7065 54.8017 32.3625 175.4438 184 V 5.1863 9.1309 121.6093 59.9261 35.7815 174.3834 *186 A 4.2680 8.4132 126.1175 51.3456 19.5656 176.5922 187 G 4.2847 7.7081 109.0227 46.6447 0.0000 174.3246 188 G 3.6793 8.9871 112.0431 44.8967 0.0000 172.8624 189 V 4.2662 7.1499 119.9208 61.1039 32.9431 175.3458 190 S 4.9202 8.0423 121.7280 57.2682 66.6521 175.6951 191 K 4.1595 8.6565 121.2380 59.4341 31.6898 179.9110 192 G 3.5333 8.0133 105.6401 48.2144 0.0000 175.4616 193 H 4.2273 8.3031 118.7640 58.3467 28.5927 177.8513 194 A 4.2758 8.2975 122.8444 54.8795 18.2423 179.4068 195 L 3.8603 8.3197 119.3856 58.2143 42.2067 178.6970 196 E 3.8857 8.2882 119.0010 59.3416 29.3267 178.7083 197 A 3.9849 7.6901 119.0609 55.1766 18.5508 179.5058 198 V 3.2885 7.9123 115.7272 65.8648 31.8978 177.5896 199 A 4.2644 8.4507 120.9004 55.0826 18.2436 180.9511 200 K 4.6427 7.7842 117.7811 55.9365 31.9913 178.7571 *202 L 4.3007 7.9872 118.6329 53.9212 43.4716 177.7389 203 G 3.6078 8.3254 106.5778 45.9464 0.0000 172.4168 204 Y 4.9093 8.3030 117.8665 55.9296 41.6040 173.7941 205 T 4.7618 8.8192 109.9531 59.7085 71.8992 174.7289 206 L 4.0494 8.4136 119.8833 57.9898 41.6687 180.0479 207 S 4.1785 7.6104 112.6181 61.2009 63.0092 174.7680 208 D 4.7647 8.1921 118.7895 54.7376 41.2448 175.1738 209 C 5.1810 7.6559 117.9904 58.0530 30.8575 172.2173 210 I 4.4027 8.2788 122.8452 58.9233 40.0456 174.0723 211 A 5.8425 8.7383 130.4378 49.2556 22.5850 174.7049 212 F 5.2166 8.5076 117.3811 55.9350 43.2128 174.3216 213 G 4.6507 8.5453 108.6446 45.5707 0.0000 173.2467 214 D 5.1938 9.0592 115.8013 52.4134 42.5903 175.9041 215 G 4.1108 8.3053 108.6719 46.0675 0.0000 174.7743 *217 N 4.7947 9.0672 121.9469 52.0354 38.5952 174.0684 218 D 4.7721 8.1105 117.4844 54.3836 42.7527 177.2048 219 A 4.1649 8.2982 122.8286 55.5628 18.2509 180.7622 220 E 3.8724 8.0262 110.5576 57.0626 28.8481 178.0972 *222 L 4.2679 8.0100 121.7676 54.6713 43.4910 177.7653 223 S 4.4047 7.6750 111.6735 58.4299 63.3776 173.8282 *225 A 4.0526 7.8829 122.2303 52.5086 19.4230 177.6499 226 G 3.9399 8.6195 108.0341 48.7940 0.0000 174.2493 227 K 4.4984 8.0115 121.9167 54.1093 35.4209 175.3380 228 G 4.3492 8.5149 113.9330 43.5555 0.0000 171.7185 229 C 4.8654 8.6224 122.6334 57.9486 30.9624 173.0627 230 I 4.8388 8.9392 127.3027 60.1811 39.0229 177.0899 *232 A 4.3722 8.7038 126.2754 53.1944 20.2440 177.2189 233 N 4.5859 8.1097 109.8016 52.9708 37.8065 175.2068 234 A 4.3079 7.5966 121.7153 52.2476 19.2343 177.2782 235 H 4.2107 8.6814 117.5277 55.7006 29.5248 177.1040 236 Q 3.9664 8.7724 124.0816 59.3228 28.8667 178.6344 237 R 3.9633 7.9832 119.3681 59.1730 30.0838 178.1728 238 L 4.0043 7.7908 120.3500 58.0584 41.9201 179.0514 239 K 3.9968 7.9634 116.8148 59.6390 32.1144 178.6236 240 D 4.4842 8.3509 118.6506 57.2323 40.8150 178.2746 241 L 4.1352 7.9590 120.0205 56.9417 43.6852 176.7619 242 H 5.1627 8.2577 114.9071 52.2152 28.7355 172.2713 243 P 4.5158 0.0000 0.0000 64.5455 31.7015 178.3817 244 E 4.1363 8.1252 116.8476 57.9627 30.1200 176.1759 245 L 4.4259 7.3373 119.6183 53.5294 43.1689 176.3980 246 E 4.0372 8.6799 123.6964 56.4400 30.9598 175.3900 247 V 4.7321 8.4015 127.1517 61.7298 32.7199 175.1284 248 I 4.4070 8.5282 123.8449 59.4759 40.3392 174.8262 249 G 3.9453 8.4980 109.5843 46.2933 0.0000 173.2540 250 S 4.7867 8.5169 113.7067 57.3052 63.3869 174.7861 251 N 4.4006 9.0373 122.9629 55.4935 36.6739 177.2551 252 A 4.0262 7.7784 122.5507 54.5320 18.5040 178.1774 253 D 4.5355 7.9452 115.0365 53.3357 41.8304 175.9142 254 D 4.3850 8.2893 118.8889 55.1846 39.0213 175.9557 255 A 4.0595 8.1237 122.3224 55.3568 18.4438 179.4966 256 V 3.1806 7.7074 116.3674 65.6197 31.6167 176.4049 257 P 4.3360 0.0000 0.0000 65.9483 31.1595 178.5189 258 R 4.2560 8.0951 119.0803 58.7091 29.9596 178.3160 259 Y 4.0777 8.4119 119.5028 60.7073 38.8407 178.0811 260 L 4.4469 8.4581 120.0395 58.1145 41.7332 179.7462 261 R 4.0927 8.4716 118.2693 59.1652 29.3860 179.0730 262 K 4.3190 8.1811 120.8973 58.7380 31.9231 178.6878 263 L 3.8942 7.7272 119.9201 57.6569 42.1651 177.5064 264 Y 4.4537 8.4611 115.0921 59.0803 38.9236 176.6583 265 L 4.4872 8.0042 118.1108 55.8404 43.1889 176.2933 266 D 4.5306 7.5931 119.8716 54.4894 40.8196 176.0165 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 Y 8.14 4.66 0.00 3.11 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 3 Q 8.51 3.87 0.00 1.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 4 V 8.05 4.50 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 0.86 0.00 0.00 0.71 0.00 0.00 5 V 8.57 4.73 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.72 0.00 0.00 6 A 9.21 5.26 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.98 5.19 0.00 4.09 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 D 9.25 5.36 0.00 3.04 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 9 L 8.63 4.47 0.00 1.74 1.54 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.71 4.45 0.00 2.71 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 11 G 8.86 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 12 T 6.92 4.39 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 1.34 0.00 0.00 13 L 7.06 4.07 0.00 1.60 1.70 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.88 4.34 0.00 1.68 1.52 0.93 1.13 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 15 S 8.83 4.39 0.00 3.99 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 16 P 0.00 4.40 0.00 2.03 2.13 0.00 3.65 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 2.01 2.09 0.00 17 D 7.93 4.58 0.00 2.73 2.54 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 18 H 8.12 3.94 0.00 2.81 3.24 0.00 5.80 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.61 5.05 0.00 3.10 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 20 L 8.36 4.74 0.00 1.52 1.56 0.80 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 21 T 8.24 4.14 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 1.33 0.00 0.00 22 P 0.00 4.18 0.00 2.20 2.14 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 23 Y 8.06 3.92 0.00 3.01 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 24 A 8.21 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.24 3.73 0.00 1.90 1.80 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.52 7.81 26 E 8.38 3.88 0.00 2.05 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 2.20 2.25 0.00 27 T 7.63 3.72 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 1.24 0.00 0.00 28 L 7.68 3.43 0.00 1.61 1.24 0.68 0.31 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 29 K 7.82 3.93 0.00 1.91 1.81 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.41 7.81 30 L 8.13 4.00 0.00 1.76 1.70 0.83 0.81 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 31 L 8.12 3.84 0.00 2.10 1.73 0.96 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.30 4.16 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 1.25 0.00 0.00 33 A 8.09 4.16 1.37 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 34 R 7.21 4.52 0.00 1.86 1.98 0.00 3.38 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 35 G 7.97 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 36 I 7.52 3.93 1.71 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 1.21 0.26 0.30 0.00 0.00 37 N 8.84 4.96 0.00 2.64 2.75 0.00 0.00 6.62 8.18 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 38 F 8.71 5.00 0.00 2.90 2.29 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 39 V 8.49 4.60 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 0.98 0.00 0.00 0.93 0.00 0.00 40 F 8.57 5.48 0.00 3.11 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 41 A 9.11 5.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 9.20 4.90 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 1.34 0.00 0.00 43 G 8.74 3.74 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 0.00 0.00 0.00 44 R 7.84 4.05 0.00 1.85 1.78 0.00 3.05 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 45 H 8.30 4.43 0.00 2.14 2.35 0.00 5.69 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 46 Y 8.23 3.96 0.00 2.86 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 47 I 7.63 3.47 1.03 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 1.46 0.95 0.71 0.00 0.00 48 D 7.32 4.41 0.00 2.20 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.91 0.00 0.00 7.25 7.44 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 67 G 8.30 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 0.00 0.00 0.00 68 A 8.05 4.31 1.52 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 0.00 0.00 69 R 7.72 5.18 0.00 1.66 1.67 0.00 3.57 0.00 0.00 3.23 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.36 0.00 70 V 7.39 4.46 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 0.67 0.00 0.00 0.52 0.00 0.00 71 H 8.70 5.27 0.00 2.88 2.88 0.00 5.86 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.65 4.40 0.00 2.56 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 73 S 8.09 4.22 0.00 3.96 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 74 D 8.22 4.56 0.00 2.79 2.72 0.00 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 0.00 0.00 1.97 1.98 0.00 100 K 8.14 4.18 0.00 1.81 1.83 0.00 1.55 0.00 0.00 1.35 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.33 7.81 101 I 7.30 4.81 1.96 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 1.24 0.70 1.12 0.00 0.00 102 V 8.77 4.34 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 0.90 0.00 0.00 0.90 0.00 0.00 103 T 9.02 4.61 4.33 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 1.28 0.00 0.00 104 N 8.52 5.11 0.00 1.44 1.52 0.00 0.00 5.94 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.96 4.76 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 1.05 0.00 0.00 0.73 0.00 0.00 106 Y 9.18 5.63 0.00 3.13 3.02 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 0.00 107 R 9.24 4.75 0.00 2.02 2.08 0.00 3.25 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 108 E 9.07 4.01 0.00 2.25 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 2.35 2.48 0.00 109 D 9.17 4.97 0.00 2.75 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 0.00 110 E 8.70 4.90 0.00 2.22 1.63 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 2.24 2.32 0.00 111 W 8.45 5.60 0.00 2.94 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 0.00 112 Y 9.76 5.70 0.00 2.82 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 *114 N 8.72 3.85 0.00 2.36 2.42 0.00 0.00 5.74 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.16 4.37 0.00 1.80 1.76 0.00 3.01 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 116 H 8.51 4.03 0.00 3.15 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.18 4.16 0.00 1.78 1.87 0.00 3.26 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 118 P 0.00 4.43 0.00 2.18 2.13 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 *128 V 7.71 3.74 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 0.84 0.00 0.00 0.96 0.00 0.00 129 F 8.72 4.94 0.00 2.76 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.52 4.79 0.00 2.56 2.40 0.00 0.00 7.00 7.46 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 0.00 131 Y 7.03 4.53 0.00 1.70 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.26 4.55 0.00 1.01 1.64 0.00 1.44 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.04 7.81 133 L 8.44 4.89 0.00 1.51 1.52 0.73 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 8.01 5.02 0.00 2.85 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 0.00 135 E 8.82 4.40 0.00 2.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 136 P 0.00 4.76 0.00 2.07 2.15 0.00 3.74 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 137 G 9.23 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 0.00 138 E 8.17 4.38 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.28 0.00 139 L 7.41 4.25 0.00 0.79 0.77 -0.33 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.43 4.48 0.00 2.64 2.54 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 0.00 141 P 0.00 4.79 0.00 2.18 1.80 0.00 3.81 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 1.94 1.96 0.00 142 Q 7.90 4.57 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.32 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 143 G 8.77 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.63 4.78 1.90 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.09 1.06 0.00 0.00 145 S 8.98 4.47 0.00 4.04 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 0.00 146 K 7.86 4.69 0.00 1.96 1.96 0.00 1.43 0.00 0.00 1.74 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.41 7.81 147 V 8.43 4.92 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 0.51 0.00 0.00 1.03 0.00 0.00 148 F 8.64 5.26 0.00 2.91 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 0.00 149 F 9.57 5.30 0.00 2.96 3.05 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 0.00 150 T 8.71 5.22 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 151 C 8.94 5.00 0.00 3.12 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 0.00 152 E 9.20 3.90 0.00 2.03 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 2.36 2.28 0.00 153 D 7.94 4.65 0.00 2.70 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 0.00 154 H 8.93 4.38 0.00 3.36 3.32 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.34 3.96 0.00 2.30 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 2.42 2.44 0.00 156 H 8.08 4.06 0.00 3.25 3.55 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.00 4.21 0.00 2.25 1.84 1.25 0.69 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 0.00 158 L 7.53 4.18 0.00 1.86 1.77 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.31 0.00 2.09 2.06 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 160 L 7.71 3.85 0.00 1.45 1.74 0.64 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.13 4.07 0.00 1.94 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 162 Q 8.00 4.22 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 163 A 7.78 4.21 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *165 N 8.14 4.64 0.00 3.04 2.95 0.00 0.00 6.92 7.21 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 0.00 166 A 8.04 4.01 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 0.00 167 R 8.04 3.75 0.00 1.40 1.12 0.00 2.45 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 168 W 7.99 4.88 0.00 3.52 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 0.00 169 G 8.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.95 4.45 0.00 2.74 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 0.00 171 R 7.79 4.15 0.00 1.99 1.93 0.00 3.16 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 172 V 7.54 4.56 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 0.36 0.00 0.00 1.19 0.00 0.00 173 N 8.68 4.83 0.00 2.82 2.68 0.00 0.00 6.50 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 0.00 174 V 8.37 4.57 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.06 0.00 0.00 175 S 9.21 4.84 0.00 3.75 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 0.00 176 F 9.11 4.73 0.00 3.01 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 0.00 177 S 8.14 4.63 0.00 3.99 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 0.00 178 T 7.33 4.47 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 1.26 0.00 0.00 179 L 8.45 3.81 0.00 1.64 1.62 0.80 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.79 4.72 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 1.38 0.00 0.00 181 C 8.23 5.22 0.00 3.09 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 0.00 182 L 9.19 4.48 0.00 1.33 1.56 0.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 183 E 9.21 5.21 0.00 1.97 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 2.23 2.33 0.00 184 V 9.13 5.19 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 1.20 0.00 0.00 1.19 0.00 0.00 *186 A 8.41 4.27 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 0.00 187 G 7.71 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 0.00 0.00 0.00 0.00 188 G 8.99 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 V 7.15 4.27 2.29 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 0.95 0.00 0.00 0.94 0.00 0.00 190 S 8.04 4.92 0.00 4.23 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 8.66 4.16 0.00 1.85 1.94 0.00 1.93 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.63 7.81 192 G 8.01 3.53 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 0.00 0.00 0.00 193 H 8.30 4.23 0.00 3.30 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.30 4.28 1.52 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 0.00 0.00 195 L 8.32 3.86 0.00 1.84 1.87 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 196 E 8.29 3.89 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 197 A 7.69 3.98 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 0.00 198 V 7.91 3.29 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 0.45 0.00 0.00 0.79 0.00 0.00 199 A 8.45 4.26 1.41 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 0.00 0.00 200 K 7.78 4.64 0.00 2.01 1.82 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 *202 L 7.99 4.30 0.00 2.05 2.08 1.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.33 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 Y 8.30 4.91 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 T 8.82 4.76 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 1.25 0.00 0.00 206 L 8.41 4.05 0.00 1.73 1.75 0.96 0.81 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 0.00 207 S 7.61 4.18 0.00 3.97 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 0.00 208 D 8.19 4.76 0.00 2.89 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 0.00 209 C 7.66 5.18 0.00 2.90 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 0.00 210 I 8.28 4.40 1.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.04 1.06 0.00 0.00 211 A 8.74 5.84 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 0.00 212 F 8.51 5.22 0.00 2.96 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 0.00 213 G 8.55 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 D 9.06 5.19 0.00 2.78 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 0.00 215 G 8.31 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *217 N 9.07 4.79 0.00 3.02 3.03 0.00 0.00 5.77 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 0.00 218 D 8.11 4.77 0.00 2.84 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 0.00 219 A 8.30 4.16 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 0.00 220 E 8.03 3.87 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 *222 L 8.01 4.27 0.00 1.62 1.63 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 223 S 7.67 4.40 0.00 3.94 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 *225 A 7.88 4.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 G 8.62 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.01 4.50 0.00 1.58 0.74 0.00 1.37 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.15 1.07 7.81 228 G 8.51 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 C 8.62 4.87 0.00 2.15 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 0.00 230 I 8.94 4.84 1.86 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 1.09 0.95 0.92 0.00 0.00 *232 A 8.70 4.37 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 8.11 4.59 0.00 2.81 2.91 0.00 0.00 5.98 7.26 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 0.00 234 A 7.60 4.31 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 0.00 235 H 8.68 4.21 0.00 3.22 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 Q 8.77 3.97 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 237 R 7.98 3.96 0.00 1.89 1.90 0.00 3.21 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 238 L 7.79 4.00 0.00 1.79 1.89 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 239 K 7.96 4.00 0.00 1.94 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.54 7.81 240 D 8.35 4.48 0.00 2.75 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 0.00 241 L 7.96 4.14 0.00 1.73 1.80 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 242 H 8.26 5.16 0.00 3.21 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 P 0.00 4.52 0.00 2.18 2.18 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 244 E 8.13 4.14 0.00 2.14 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 2.36 2.28 0.00 245 L 7.34 4.43 0.00 1.54 1.57 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 246 E 8.68 4.04 0.00 2.06 1.78 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 2.41 2.36 0.00 247 V 8.40 4.73 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 0.94 0.00 0.00 0.94 0.00 0.00 248 I 8.53 4.41 1.97 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 1.29 0.81 0.78 0.00 0.00 249 G 8.50 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 250 S 8.52 4.79 0.00 3.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 N 9.04 4.40 0.00 3.12 3.14 0.00 0.00 7.07 6.37 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 0.00 252 A 7.78 4.03 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 0.00 253 D 7.95 4.54 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 0.00 254 D 8.29 4.38 0.00 2.76 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 0.00 255 A 8.12 4.06 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 0.00 256 V 7.71 3.18 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 0.30 0.00 0.00 0.80 0.00 0.00 257 P 0.00 4.34 0.00 2.55 2.35 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.20 0.00 258 R 8.10 4.26 0.00 1.95 2.11 0.00 3.14 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 259 Y 8.41 4.08 0.00 3.27 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 0.00 260 L 8.46 4.45 0.00 2.07 1.94 1.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 261 R 8.47 4.09 0.00 2.10 2.05 0.00 3.16 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 262 K 8.18 4.32 0.00 1.94 1.85 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.27 7.81 263 L 7.73 3.89 0.00 1.56 1.89 0.78 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 264 Y 8.46 4.45 0.00 3.08 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 0.00 265 L 8.00 4.49 0.00 1.80 1.75 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 266 D 7.59 4.53 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.