NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2257 8.2601 123.5748 52.0141 20.9364 177.4825 2 A 4.1654 7.6268 117.6091 50.3342 19.4599 173.3379 3 E 5.1518 8.7794 118.4453 54.5865 34.1633 172.6687 4 L 4.7493 8.8277 121.5700 53.4736 45.2072 176.0764 5 R 5.1625 9.8669 124.9064 54.0600 33.2297 175.1295 *7 A 4.5082 8.2025 120.7666 52.6218 20.2154 175.6973 8 T 5.3902 9.0656 117.8552 59.8034 71.5891 172.0647 9 T 5.0178 8.1833 114.4745 60.3438 69.6106 175.2409 10 T 3.9164 8.7546 122.5275 65.5144 67.0804 176.7395 11 S 4.1960 8.0124 114.6713 61.5887 63.5038 176.1909 12 T 3.8220 7.7526 118.8869 66.4635 68.4066 175.7118 13 D 4.3267 8.3888 120.2909 57.7018 40.9457 178.1329 14 N 4.5552 7.7514 115.7808 55.7325 38.6414 177.1132 15 T 4.0795 7.5921 110.2821 62.7279 69.2902 175.8375 16 G 3.9555 8.0444 109.3165 45.2005 0.0000 174.8480 17 L 3.3889 7.6699 121.9907 58.4416 41.7341 179.0539 18 L 3.6538 7.4842 117.8651 57.6572 40.9180 178.9470 19 D 4.5439 7.8970 117.8555 56.4114 40.4035 178.9259 20 V 3.5848 7.3403 118.8949 65.7566 31.7473 177.7570 21 L 4.1686 7.9390 118.5092 57.7133 41.3967 179.4023 22 A 4.0794 8.3751 121.0054 54.9160 18.4402 177.9963 23 P 4.2188 0.0000 0.0000 65.6282 31.5900 178.7458 24 A 4.1909 7.8178 119.4310 55.3060 18.1228 179.1346 25 Y 3.0986 8.2902 118.3242 60.2726 38.7350 177.7353 26 K 3.8974 8.1216 122.0965 58.7568 32.0154 178.6710 27 K 3.9094 7.8321 118.9146 59.5074 32.2644 178.1389 28 D 4.6114 7.7530 116.9230 56.2217 41.0263 177.0154 29 T 4.2031 7.0413 110.0212 60.1793 69.4388 174.8191 30 G 3.7793 8.0421 107.9001 45.3578 0.0000 173.1462 31 V 4.2403 6.7349 120.1943 61.6063 33.5200 174.1922 32 D 4.9216 8.9941 128.4014 53.1424 42.2523 175.4310 33 L 4.3957 8.6615 126.5904 54.8176 42.7668 175.8983 34 K 4.6444 9.1761 126.0600 54.2428 35.0105 175.2950 35 W 5.2301 8.1729 121.1754 54.5635 31.7731 174.5728 36 V 4.5102 8.5859 120.0275 61.0994 34.2258 173.8082 37 A 5.1629 8.8302 129.2701 50.8755 20.4808 175.4778 38 V 4.4738 8.5622 118.1632 60.6033 36.0812 176.0449 39 G 4.0789 8.7072 109.6717 46.3242 0.0000 174.8532 40 T 3.9285 8.7007 116.7187 66.5500 68.4573 177.0913 41 G 3.7083 8.0894 106.9194 48.1612 0.0000 175.2630 42 N 4.4875 8.1988 118.4084 55.6175 38.0825 177.2862 43 A 3.9988 8.3375 122.7820 55.2271 18.5033 179.7175 44 L 3.7863 7.9568 117.5049 57.7714 41.6855 179.6658 45 K 3.9663 8.5971 119.9454 59.4235 31.9315 178.8597 46 L 4.1563 8.0045 119.7505 57.6294 41.6204 179.6207 47 G 3.8759 7.9199 106.0336 47.1165 0.0000 175.4911 48 E 3.5939 8.1731 120.9726 58.5230 29.6591 177.6659 49 N 4.5999 7.8707 113.6127 52.3316 39.0579 174.1143 50 C 4.0343 7.7478 116.2480 58.4016 38.0143 173.9923 51 D 4.3723 8.4019 120.6638 55.2745 41.2325 176.7635 52 V 4.6248 7.4010 110.0304 59.6660 35.8414 174.6092 53 D 4.7847 9.0391 119.6698 56.4264 42.0097 177.5140 54 V 4.9806 7.6690 108.3278 59.6554 36.3192 175.0899 55 V 4.7473 8.4378 120.8016 61.3516 35.1623 174.3925 56 F 5.4614 9.3196 128.6415 57.2800 42.1357 173.1972 57 V 4.6003 8.8849 119.8916 59.5962 36.3136 175.1311 58 H 4.8115 8.2219 117.2089 54.6081 29.7549 175.7688 59 A 4.4836 8.6367 123.7020 49.6077 20.8196 175.3374 60 P 4.4300 0.0000 0.0000 66.1762 31.3976 177.5364 61 K 3.7506 8.2600 116.1313 60.7165 31.9326 179.2687 62 V 3.7266 7.6321 111.7295 64.1862 31.7717 178.3072 63 E 4.0095 8.2857 118.7182 59.6775 29.3560 179.5317 64 L 4.0439 8.0171 118.6691 57.6649 41.7050 179.0611 65 E 3.9451 7.9272 118.7919 59.7680 29.3567 178.6399 66 Y 4.1157 8.5891 119.4179 60.9107 38.8945 178.3253 67 V 4.0688 7.9094 120.0933 65.4077 31.4044 177.1795 68 E 3.8174 7.8972 117.3653 59.6172 29.5268 179.0120 69 K 3.7707 7.9738 116.6932 57.7183 31.9081 178.1036 70 G 3.9135 7.3159 106.4666 44.9757 0.0000 174.3140 71 F 4.5520 7.8221 120.1082 59.4326 39.9260 175.9111 72 G 4.7832 7.6825 104.4125 44.2862 0.0000 171.8104 73 I 5.0317 8.2622 114.0468 58.8453 41.9247 174.4760 74 D 4.4159 8.8153 118.3385 54.7607 37.9630 174.4577 75 R 4.0563 7.2620 115.2795 57.7200 30.4976 175.6904 76 T 4.5885 8.8367 121.2115 61.5660 72.3370 171.5499 77 P 4.9998 0.0000 0.0000 62.5581 32.5845 176.1582 78 V 4.6665 9.0556 123.5624 61.3008 35.1416 173.3868 *80 Y 4.4496 8.2979 119.3343 58.6985 39.9169 174.5639 81 N 3.6992 7.9367 121.9682 54.1597 37.0246 173.4694 82 D 4.3242 7.1832 119.1267 53.7004 41.2196 177.3574 83 F 4.9158 8.6746 119.2877 57.4390 40.0881 175.5179 84 V 4.6883 9.0052 114.7794 59.7478 36.3704 174.3202 85 I 4.9813 8.4622 123.5699 59.8795 39.1158 175.1234 86 I 4.8349 8.3819 119.9651 59.1033 41.2527 174.4227 87 G 4.1507 7.8330 109.1949 46.0005 0.0000 172.5547 88 N 5.1869 8.3713 116.7876 51.0436 38.4606 174.2485 89 P 4.3345 0.0000 0.0000 65.9200 31.7317 179.2145 90 S 3.9564 8.0729 113.7109 61.8377 62.7166 176.8331 91 F 4.2304 8.3536 118.5516 59.4217 38.3561 177.9674 92 K 4.0432 8.0416 119.1682 60.3491 32.3817 178.8878 93 Q 3.9584 8.1741 119.5651 58.4471 28.3566 178.8369 94 K 3.6545 7.2891 119.2580 58.7570 32.0990 177.1229 95 F 5.0679 7.3859 114.1089 56.8658 39.7919 175.7929 96 T 3.7990 7.5406 111.7345 63.4864 69.0343 174.0682 97 G 3.4783 8.5718 112.6638 46.5374 0.0000 172.6846 *99 S 4.2203 7.4270 112.8706 57.7176 65.8868 174.2845 100 V 3.1729 8.8733 121.0740 65.7610 31.0749 177.8187 101 A 3.7408 7.6132 120.0131 55.2069 18.2513 179.3306 102 E 3.9111 8.1532 116.8003 59.3394 29.5007 179.4897 103 A 3.9564 7.9691 120.7809 55.1915 18.3143 179.6620 104 F 3.9950 8.4511 116.7383 60.6446 38.8205 177.8654 105 K 3.9766 8.2464 118.0915 59.5837 31.8573 179.0922 106 L 3.9995 7.9438 120.3676 58.1263 42.0879 178.8770 107 I 3.6446 8.2583 120.2561 64.3488 37.0479 177.9479 108 E 2.8645 8.2039 120.0146 58.7955 29.3207 178.3568 109 K 3.7755 7.9180 118.5118 59.8219 32.3805 177.9211 110 E 4.1157 8.3705 115.3293 55.8017 30.6600 176.2816 111 Q 2.5200 7.2254 117.5528 56.6458 26.7419 174.1511 112 V 4.1162 7.2678 109.6475 60.4718 33.5071 178.1525 113 K 4.5140 8.8042 125.2804 56.8138 33.4519 175.1539 114 F 5.1344 9.6387 129.5713 56.4187 42.5382 173.3872 115 V 4.3955 7.8939 127.0523 61.4332 32.3702 174.9657 116 S 4.7105 9.0005 124.2571 56.9691 63.9659 174.8818 117 R 3.7044 8.9256 124.3746 57.4736 31.1388 177.8368 118 G 3.9773 7.4457 106.0744 46.3301 0.0000 171.7905 119 D 4.9589 7.5151 117.7413 51.1676 42.4601 175.5465 120 K 4.3403 8.4234 118.2434 55.8025 30.9908 176.5357 121 S 4.8770 8.0573 116.5860 55.3599 67.2455 174.1785 122 G 3.6624 8.6363 112.8981 48.1855 0.0000 176.3293 123 T 3.8907 7.9707 117.6772 66.5851 68.4832 176.1528 124 H 4.3069 8.1270 120.0217 59.3527 30.0472 177.3396 125 S 4.0907 8.0721 115.6707 60.7187 62.8867 176.4482 126 K 3.7417 7.8895 123.6766 59.4243 32.0620 178.3436 127 E 3.9455 8.3118 119.8457 59.3580 29.5193 178.9598 128 R 4.1266 8.3339 118.2899 59.2639 30.1142 178.5340 129 E 3.9197 8.1084 119.1316 59.2988 29.5936 179.0470 130 V 3.4102 7.9216 118.2532 65.7597 31.5274 178.0702 131 W 4.2774 8.0903 118.2570 59.5055 28.8077 178.3076 132 K 3.9289 8.2266 119.6334 59.8126 31.4553 178.7170 133 E 3.9013 8.1421 117.1084 59.0900 29.3592 178.8710 134 A 4.1443 7.7410 119.9747 54.0406 18.9926 178.1296 135 L 4.5001 8.6304 114.3548 53.9159 43.4318 177.9049 136 G 4.0056 9.7556 106.7297 45.1335 0.0000 173.2994 137 K 4.4799 7.4129 115.9944 55.6098 34.9820 175.0392 138 I 3.9736 8.0383 122.0846 59.8104 37.9396 175.3784 139 P 4.1555 0.0000 0.0000 61.8447 30.7554 178.1044 140 E 3.8102 7.5802 120.3196 60.0639 29.5582 178.5825 141 K 4.4150 7.4449 114.4354 55.7814 33.4216 175.8825 142 E 4.0393 7.5828 120.2826 55.4709 29.9263 178.1803 143 S 4.0944 8.4877 117.1088 61.0130 63.2928 175.2220 144 W 4.4890 7.5245 116.4776 57.4730 29.4998 175.3025 145 Y 4.7073 6.9631 122.2896 56.4770 38.4134 174.2817 146 I 4.2577 8.2066 128.4154 59.4811 39.7493 174.8512 147 E 4.6480 8.4272 126.1118 54.7823 29.8732 175.7627 148 A 3.8182 9.0039 128.7725 52.3281 18.9890 177.6980 149 G 3.8807 7.8828 102.2435 46.0173 0.0000 172.1911 150 Q 4.7026 7.3826 114.8084 54.1494 34.9639 179.6243 151 G 4.0476 8.0604 109.5135 45.5102 0.0000 175.8938 *153 L 4.2444 8.8096 126.5406 54.6311 43.7651 178.1317 154 A 4.0919 7.9321 120.1832 55.2224 18.3541 179.4647 155 T 3.9312 7.9616 108.0967 64.5328 68.9049 177.1996 156 I 3.5567 7.6327 122.5976 64.3429 37.1134 177.8714 157 N 4.4311 8.0467 116.9403 56.2304 38.2759 177.6031 158 I 3.6792 7.8908 121.0984 64.2760 37.1194 178.2236 159 A 3.8876 7.9686 121.5944 55.1200 18.2858 179.3264 160 E 3.8861 8.3238 117.7994 59.4453 29.5217 178.8014 161 E 4.0589 8.3412 117.9191 59.1445 29.5640 178.5383 162 Q 4.5030 7.9663 115.1850 54.7031 29.3575 175.6154 163 K 4.0137 7.9645 117.3344 57.8252 30.5028 175.1060 164 G 4.4591 8.2376 108.0114 44.9040 0.0000 172.7801 165 L 4.9688 8.4734 119.2958 53.5065 45.6453 175.4975 166 T 3.8825 8.2642 114.1179 60.9706 71.6504 171.5879 167 L 5.1823 8.1941 126.0563 53.5912 43.7248 175.1881 168 T 5.0188 8.8424 120.1011 60.0380 71.4170 172.9354 169 D 4.6278 8.8595 125.1539 52.9750 40.4790 177.3945 170 R 4.0409 8.4034 120.7440 59.3999 30.0016 179.1527 171 G 3.6872 8.5150 105.7719 48.3827 0.0000 175.8258 172 T 4.0031 8.8315 118.9142 66.1137 68.3458 176.6977 173 F 4.3118 8.1203 122.7241 61.2128 39.3916 177.1874 174 I 3.5411 8.0467 119.5816 64.2429 36.7958 178.3196 175 K 3.8665 7.9472 119.0707 59.8664 31.8418 178.4290 176 Y 4.0951 8.6853 119.9341 61.1776 38.3025 178.4002 177 E 3.7986 7.9576 118.8384 59.1577 29.6071 179.1572 178 S 4.1860 7.8334 113.3903 61.1013 62.9847 176.2732 179 N 4.3212 7.4840 119.7204 55.7399 39.7485 176.4946 180 H 4.5832 7.0752 117.5478 53.1905 25.8144 174.9797 181 K 4.0468 6.8986 121.0800 57.1254 34.5163 177.9142 182 G 3.8976 9.5091 113.9710 44.2886 0.0000 174.9825 183 K 4.5252 8.7052 117.0163 53.5743 35.1483 174.2066 184 P 4.4944 0.0000 0.0000 61.7146 31.7173 175.0399 185 P 4.3904 0.0000 0.0000 64.3772 31.9897 176.1234 *187 V 4.2601 7.4424 118.1778 61.1483 33.1308 175.0034 188 I 3.9766 8.4359 123.5125 61.9598 36.9376 175.8879 189 V 4.4812 8.5592 125.5078 62.4790 33.6754 175.1649 190 L 4.5108 7.6924 118.9385 54.8299 45.1812 173.1568 191 E 4.8181 9.0118 122.6770 56.0145 32.1808 173.4614 192 G 4.0623 9.0536 107.0720 45.6407 0.0000 174.0292 193 D 4.3235 7.9497 117.8538 54.5325 41.8222 177.0786 194 N 4.3436 8.8410 122.7522 56.7268 38.7218 176.7403 195 T 4.0569 7.6986 110.9556 63.6547 67.5587 174.4500 196 L 4.5218 7.8280 120.2337 55.1789 42.1827 176.3536 197 K 4.3357 7.7929 119.0125 56.2254 32.8078 175.8450 198 N 5.0051 8.1892 121.9899 51.8352 40.6798 173.6416 199 F 5.2684 8.7828 123.8601 55.9347 42.6860 173.8081 200 Y 4.8715 9.3454 120.4953 56.4318 40.6042 174.7290 201 S 5.3833 9.3081 120.4434 57.3339 65.5301 174.2258 202 I 5.6473 8.9894 125.0638 59.2055 40.1702 174.2111 *204 A 4.5873 8.1890 123.1502 51.8217 20.1289 176.3190 205 V 4.0869 8.6965 121.7193 62.4548 32.5742 175.3795 206 N 4.2672 8.8651 126.8980 53.1704 38.8223 173.7518 207 P 4.4702 0.0000 0.0000 65.3225 31.7297 177.9379 208 K 4.0688 8.2517 118.5989 58.4186 32.0075 177.8014 209 R 4.4575 7.8899 112.9285 56.1971 31.0902 176.9521 210 C 4.8811 7.8658 117.2636 54.0669 39.9145 173.6661 211 E 3.7540 8.5199 123.0389 58.7597 29.4165 178.4724 212 K 4.4476 7.8443 114.1239 55.7530 32.7754 176.0850 213 A 4.2079 7.8217 122.9819 52.1112 19.0846 179.1827 214 D 4.6953 8.9980 121.9062 53.8011 39.0033 176.4636 215 Y 4.2773 8.1361 124.9590 59.7091 39.2173 176.6480 216 K 3.7985 8.2239 119.4253 59.4960 32.2577 179.0521 217 G 3.6811 8.9015 105.8962 47.7747 0.0000 175.4601 218 A 4.0049 7.9494 122.9616 54.9564 18.4365 179.6950 219 K 3.7789 8.0460 118.5355 59.4000 32.0988 178.7593 220 Q 3.9933 8.2648 120.1336 59.1919 29.0638 178.0415 221 F 4.0524 8.2526 121.6181 61.3751 39.3952 177.1506 222 I 3.5084 7.9618 119.4133 64.4197 36.8774 178.1833 223 D 4.3570 8.5182 120.1992 56.8746 40.3823 178.5674 224 W 4.1702 8.1589 128.0623 60.6431 30.8574 177.6416 225 I 3.2314 7.3033 118.1390 64.3329 36.6105 178.3900 226 V 3.6443 7.5786 117.3174 64.0751 31.7449 176.5981 227 S 4.1834 6.9766 113.1332 58.0343 63.6382 173.8432 228 E 3.9088 8.9189 123.7774 59.5448 29.5011 178.8357 229 K 3.6987 8.0723 116.9593 58.3796 32.6815 177.4793 *231 Q 4.0513 8.0326 115.9742 56.2262 30.5223 177.3013 232 A 3.9224 8.4993 118.9578 55.0200 18.7278 179.0385 233 E 3.9326 8.2079 118.0157 59.4149 29.5623 179.1502 234 I 2.0000 7.2141 119.0512 63.7021 36.9986 177.9893 235 A 3.8752 7.4314 120.1876 54.3307 18.2460 177.9731 236 N 4.8784 7.2390 113.9316 53.3339 40.1809 175.1678 237 F 4.9181 7.5867 124.6395 57.9074 39.2392 176.1362 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.23 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 2 A 7.63 4.17 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.78 5.15 0.00 2.02 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 2.14 2.27 0.00 4 L 8.83 4.75 0.00 1.72 1.38 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.87 5.16 0.00 1.91 1.85 0.00 3.22 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.41 0.00 *7 A 8.20 4.51 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 9.07 5.39 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 1.31 0.00 0.00 9 T 8.18 5.02 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 1.29 0.00 0.00 10 T 8.75 3.92 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 11 S 8.01 4.20 0.00 4.13 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 12 T 7.75 3.82 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 0.60 0.00 0.00 13 D 8.39 4.33 0.00 2.86 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 14 N 7.75 4.56 0.00 2.87 2.90 0.00 0.00 7.08 7.49 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 15 T 7.59 4.08 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 1.30 0.00 0.00 16 G 8.04 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 17 L 7.67 3.39 0.00 1.16 1.34 0.25 0.41 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 18 L 7.48 3.65 0.00 0.87 0.13 0.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.90 4.54 0.00 2.94 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 20 V 7.34 3.58 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 0.53 0.00 0.00 0.79 0.00 0.00 21 L 7.94 4.17 0.00 1.77 2.03 0.91 0.79 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 22 A 8.38 4.08 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.22 0.00 2.23 2.15 0.00 3.84 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 2.24 2.21 0.00 24 A 7.82 4.19 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 0.00 0.00 0.00 0.00 0.00 25 Y 8.29 3.10 0.00 2.22 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 26 K 8.12 3.90 0.00 1.96 1.93 0.00 1.52 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.30 7.81 27 K 7.83 3.91 0.00 1.83 2.13 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.50 7.81 28 D 7.75 4.61 0.00 2.71 2.83 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 29 T 7.04 4.20 3.39 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 0.05 0.00 0.00 30 G 8.04 3.78 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 0.00 0.00 0.00 31 V 6.73 4.24 1.65 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 1.05 0.00 0.00 0.80 0.00 0.00 32 D 8.99 4.92 0.00 2.57 2.55 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 33 L 8.66 4.40 0.00 1.72 1.91 0.23 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.18 4.64 0.00 1.65 1.58 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.43 7.81 35 W 8.17 5.23 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.59 4.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 37 A 8.83 5.16 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 38 V 8.56 4.47 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 0.73 0.00 0.00 0.95 0.00 0.00 39 G 8.71 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 40 T 8.70 3.93 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 1.21 0.00 0.00 41 G 8.09 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.20 4.49 0.00 2.92 2.90 0.00 0.00 6.97 7.75 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 43 A 8.34 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.96 3.79 0.00 1.84 1.56 0.81 -0.10 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 45 K 8.60 3.97 0.00 1.99 1.94 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 46 L 8.00 4.16 0.00 2.01 1.74 0.96 0.93 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 47 G 7.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.17 3.59 0.00 1.87 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 1.66 1.47 0.00 49 N 7.87 4.60 0.00 2.88 2.80 0.00 0.00 7.09 7.36 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 50 C 7.75 4.03 0.00 3.15 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.40 4.37 0.00 2.82 2.73 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 52 V 7.40 4.62 2.33 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 0.82 0.00 0.00 1.03 0.00 0.00 53 D 9.04 4.78 0.00 2.70 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 54 V 7.67 4.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.88 0.00 0.00 55 V 8.44 4.75 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 0.94 0.00 0.00 1.04 0.00 0.00 56 F 9.32 5.46 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.88 4.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.96 0.00 0.00 58 H 8.22 4.81 0.00 3.11 3.19 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.64 4.48 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.43 0.00 2.15 2.10 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 61 K 8.26 3.75 0.00 1.79 1.83 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.55 7.81 62 V 7.63 3.73 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 0.85 0.00 0.00 1.01 0.00 0.00 63 E 8.29 4.01 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 64 L 8.02 4.04 0.00 1.86 1.72 0.91 1.00 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 65 E 7.93 3.95 0.00 2.22 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 2.47 2.53 0.00 66 Y 8.59 4.12 0.00 3.22 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 67 V 7.91 4.07 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 1.31 0.00 0.00 1.12 0.00 0.00 68 E 7.90 3.82 0.00 2.06 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 2.26 2.31 0.00 69 K 7.97 3.77 0.00 1.24 0.74 0.00 1.49 0.00 0.00 1.53 0.00 0.00 3.16 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.84 1.11 7.81 70 G 7.32 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 71 F 7.82 4.55 0.00 1.61 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 0.00 0.00 0.00 72 G 7.68 4.78 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 0.00 0.00 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0.00 100 V 8.87 3.17 1.65 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 -0.15 0.00 0.00 0.70 0.00 0.00 101 A 7.61 3.74 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 0.00 102 E 8.15 3.91 0.00 2.16 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 2.32 2.30 0.00 103 A 7.97 3.96 0.71 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 0.00 0.00 104 F 8.45 3.99 0.00 2.71 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 0.00 105 K 8.25 3.98 0.00 2.11 1.92 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.54 7.81 106 L 7.94 4.00 0.00 2.05 2.14 1.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.26 3.64 2.02 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.02 0.68 0.00 0.00 108 E 8.20 2.86 0.00 2.11 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 2.41 2.75 0.00 109 K 7.92 3.78 0.00 1.82 2.02 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 110 E 8.37 4.12 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 111 Q 7.23 2.52 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 112 V 7.27 4.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.98 0.00 0.00 113 K 8.80 4.51 0.00 2.00 1.78 0.00 1.56 0.00 0.00 2.05 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.54 7.81 114 F 9.64 5.13 0.00 3.52 3.27 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 0.00 115 V 7.89 4.40 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 0.63 0.00 0.00 0.82 0.00 0.00 116 S 9.00 4.71 0.00 3.83 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.93 3.70 0.00 1.75 2.16 0.00 3.52 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 118 G 7.45 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 0.00 119 D 7.52 4.96 0.00 2.75 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 0.00 120 K 8.42 4.34 0.00 1.80 1.86 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 121 S 8.06 4.88 0.00 4.32 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 0.00 122 G 8.64 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.97 3.89 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 124 H 8.13 4.31 0.00 3.34 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.07 4.09 0.00 4.10 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 0.00 126 K 7.89 3.74 0.00 1.70 1.56 0.00 1.36 0.00 0.00 1.44 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.88 7.81 127 E 8.31 3.95 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.00 0.00 128 R 8.33 4.13 0.00 2.04 1.98 0.00 2.88 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 129 E 8.11 3.92 0.00 2.23 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 130 V 7.92 3.41 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.82 0.00 0.00 131 W 8.09 4.28 0.00 3.60 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.23 3.93 0.00 2.06 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 133 E 8.14 3.90 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 134 A 7.74 4.14 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 0.00 135 L 8.63 4.50 0.00 1.88 1.80 1.32 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 136 G 9.76 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.41 4.48 0.00 1.78 1.73 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.42 7.81 138 I 8.04 3.97 1.68 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.65 0.00 0.00 139 P 0.00 4.16 0.00 0.96 1.73 0.00 2.40 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 140 E 7.58 3.81 0.00 1.80 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 2.51 2.30 0.00 141 K 7.44 4.41 0.00 1.58 1.69 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.30 7.81 142 E 7.58 4.04 0.00 1.19 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 2.52 2.25 0.00 143 S 8.49 4.09 0.00 4.00 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 0.00 144 W 7.52 4.49 0.00 3.79 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 6.96 4.71 0.00 1.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.21 4.26 1.76 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 1.18 0.65 0.80 0.00 0.00 147 E 8.43 4.65 0.00 1.75 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 148 A 9.00 3.82 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 7.38 4.70 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 151 G 8.06 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 0.00 0.00 0.00 *153 L 8.81 4.24 0.00 1.78 1.79 1.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.93 4.09 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 0.00 155 T 7.96 3.93 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 156 I 7.63 3.56 1.84 0.00 0.00 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 1.50 0.48 0.12 0.00 0.00 157 N 8.05 4.43 0.00 2.93 3.11 0.00 0.00 7.05 8.30 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 0.00 158 I 7.89 3.68 1.95 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 1.44 0.68 0.90 0.00 0.00 159 A 7.97 3.89 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 0.00 160 E 8.32 3.89 0.00 2.14 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 0.00 2.38 2.63 0.00 161 E 8.34 4.06 0.00 2.20 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 2.37 2.39 0.00 162 Q 7.97 4.50 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 163 K 7.96 4.01 0.00 2.03 1.98 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.56 7.81 164 G 8.24 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.47 4.97 0.00 1.46 1.39 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 166 T 8.26 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 167 L 8.19 5.18 0.00 1.97 1.73 0.94 0.73 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 0.00 168 T 8.84 5.02 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 1.19 0.00 0.00 169 D 8.86 4.63 0.00 2.78 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 0.00 170 R 8.40 4.04 0.00 1.98 1.99 0.00 3.03 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 171 G 8.51 3.69 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 0.00 0.00 0.00 172 T 8.83 4.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 173 F 8.12 4.31 0.00 3.06 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 8.05 3.54 2.07 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 1.52 0.68 0.89 0.00 0.00 175 K 7.95 3.87 0.00 2.04 1.89 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.73 7.81 176 Y 8.69 4.10 0.00 3.05 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 0.00 177 E 7.96 3.80 0.00 1.93 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 2.06 1.47 0.00 178 S 7.83 4.19 0.00 3.99 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 0.00 179 N 7.48 4.32 0.00 2.54 2.62 0.00 0.00 6.94 8.35 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 0.00 180 H 7.08 4.58 0.00 2.78 3.17 0.00 5.86 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 K 6.90 4.05 0.00 1.71 1.71 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 182 G 9.51 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 0.00 183 K 8.71 4.53 0.00 1.73 1.74 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 184 P 0.00 4.49 0.00 2.15 2.09 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 185 P 0.00 4.39 0.00 2.37 2.18 0.00 3.74 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 *187 V 7.44 4.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.07 0.00 0.00 188 I 8.44 3.98 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.38 0.86 0.00 0.00 189 V 8.56 4.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.11 0.00 0.00 190 L 7.69 4.51 0.00 1.68 1.36 0.62 0.70 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 0.00 191 E 9.01 4.82 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 192 G 9.05 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 0.00 193 D 7.95 4.32 0.00 2.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 N 8.84 4.34 0.00 2.86 2.88 0.00 0.00 6.77 7.05 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 0.00 195 T 7.70 4.06 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 1.05 0.00 0.00 196 L 7.83 4.52 0.00 1.89 1.93 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 197 K 7.79 4.34 0.00 1.94 1.41 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.26 7.81 198 N 8.19 5.01 0.00 2.21 2.70 0.00 0.00 6.83 7.02 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 0.00 199 F 8.78 5.27 0.00 2.92 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 0.00 200 Y 9.35 4.87 0.00 2.80 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 S 9.31 5.38 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 I 8.99 5.65 1.93 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 2.19 1.02 0.00 0.00 *204 A 8.19 4.59 1.53 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 0.00 205 V 8.70 4.09 2.36 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 0.79 0.00 0.00 1.15 0.00 0.00 206 N 8.87 4.27 0.00 2.96 2.71 0.00 0.00 6.59 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 0.00 207 P 0.00 4.47 0.00 2.03 2.08 0.00 3.30 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.97 0.00 208 K 8.25 4.07 0.00 1.97 1.89 0.00 1.49 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.39 7.81 209 R 7.89 4.46 0.00 1.90 2.05 0.00 3.11 0.00 0.00 3.47 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 210 C 7.87 4.88 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.52 3.75 0.00 1.96 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 2.33 2.37 0.00 212 K 7.84 4.45 0.00 1.73 1.82 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 213 A 7.82 4.21 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 D 9.00 4.70 0.00 2.75 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 0.00 215 Y 8.14 4.28 0.00 3.12 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 0.00 216 K 8.22 3.80 0.00 1.99 1.84 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.57 7.81 217 G 8.90 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 0.00 218 A 7.95 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 K 8.05 3.78 0.00 1.13 1.46 0.00 1.51 0.00 0.00 1.57 0.00 0.00 3.37 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.54 7.81 220 Q 8.26 3.99 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 221 F 8.25 4.05 0.00 2.89 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 I 7.96 3.51 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.90 0.00 0.00 223 D 8.52 4.36 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 0.00 224 W 8.16 4.17 0.00 3.46 3.40 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 0.00 225 I 7.30 3.23 1.69 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.03 0.71 0.00 0.00 226 V 7.58 3.64 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 0.81 0.00 0.00 0.88 0.00 0.00 227 S 6.98 4.18 0.00 3.99 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 0.00 228 E 8.92 3.91 0.00 2.02 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 2.35 2.33 0.00 229 K 8.07 3.70 0.00 1.79 1.71 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 *231 Q 8.03 4.05 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00 232 A 8.50 3.92 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 0.00 233 E 8.21 3.93 0.00 2.20 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 0.00 2.49 2.43 0.00 234 I 7.21 2.00 1.70 0.00 0.00 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 1.50 0.25 0.73 0.00 0.00 235 A 7.43 3.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 N 7.24 4.88 0.00 2.80 2.86 0.00 0.00 6.95 6.79 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 0.00 237 F 7.59 4.92 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.