NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2015 8.4444 121.4878 55.6713 30.9081 176.2225 3 N 4.3453 8.3391 121.0020 52.8793 38.5093 173.8431 4 L 3.9869 8.3371 129.2253 57.5027 42.1796 178.8950 5 S 4.2574 8.4895 114.5014 61.2501 62.7633 176.0895 6 D 4.3271 8.0207 121.2210 56.9563 40.9499 178.1989 7 V 3.2155 7.5874 118.1477 65.1951 31.4830 176.5232 8 F 4.6575 7.8318 115.2329 56.2612 39.8215 175.5698 9 D 4.2052 7.4151 119.9944 55.3101 38.5625 174.3002 10 I 4.3523 8.2853 120.2555 60.9073 38.6807 176.7992 11 Y 5.6283 8.8806 124.9532 56.1900 41.7631 174.6319 12 A 5.5567 9.6863 122.1453 50.4501 22.3440 175.1924 13 I 5.4613 9.3177 121.8154 59.6555 41.7436 173.9169 14 C 4.9157 9.2952 122.7208 57.4447 33.6235 172.2640 15 A 4.9689 8.3306 119.7006 50.4788 21.5640 175.3532 16 C 5.9951 9.2570 118.8173 57.1660 33.1009 173.0198 17 C 6.0377 8.8503 115.6769 55.2674 33.3973 172.8012 18 K 4.6269 8.5180 117.9787 55.5793 32.9330 176.7967 19 V 4.6209 8.2773 123.1037 62.1731 32.5652 175.2242 20 A 4.4945 8.7655 130.4732 50.2956 19.5288 175.5136 21 P 4.4547 0.0000 0.0000 63.2207 32.5628 176.1158 22 T 4.7043 7.8430 109.2283 61.3541 68.8773 175.0808 23 S 4.5776 9.0948 112.9820 59.6549 68.9982 174.8824 24 E 4.5269 7.1758 113.7561 55.2419 32.6919 179.7854 25 G 4.6026 8.0168 120.5398 44.9267 0.0000 172.1014 26 T 4.2809 8.3403 113.0185 61.7121 68.8582 175.4128 27 K 4.2910 7.6965 122.3985 57.1741 34.3963 175.3790 28 N 4.1039 8.2433 116.4097 54.4476 39.1015 174.8464 29 E 4.5285 8.2132 128.9472 54.0475 28.4591 175.2950 30 P 4.1364 0.0000 0.0000 64.5842 31.8434 177.9711 31 F 4.9124 7.5756 116.9883 56.8091 39.6831 175.0261 32 S 4.1913 7.9160 115.9102 58.0934 62.4815 173.6514 33 P 3.9985 0.0000 0.0000 64.5980 31.2501 176.3018 34 R 4.4264 7.1399 118.0982 54.4744 29.2617 175.6159 35 T 3.8401 8.5990 121.9113 66.3921 68.5681 174.8500 36 F 4.9740 8.3165 124.7091 56.7233 38.2112 175.4678 37 R 4.9817 8.4913 119.0669 55.6742 32.5271 174.5504 38 G 4.2174 9.1475 109.8388 46.5879 0.0000 173.8845 39 L 4.5699 8.8109 128.4388 56.3423 43.9098 176.2828 40 G 4.0283 7.4325 103.2918 45.3527 0.0000 171.6610 41 N 5.4919 9.4476 119.4761 52.9395 42.0182 174.6247 42 K 3.5486 9.7987 128.4758 57.7465 30.0110 176.7909 43 G 3.8330 8.5275 103.3722 45.9800 0.0000 173.1737 44 T 4.5260 7.3167 109.0726 58.9938 71.9598 173.0041 45 L 3.7232 7.7118 121.2734 53.5711 42.0073 176.6458 46 P 3.8307 0.0000 0.0000 64.5757 31.3788 176.1320 47 W 3.9375 5.7161 116.0794 54.8166 30.1717 175.8889 48 K 4.2236 8.2426 119.9463 52.8898 32.3617 171.0087 49 C 3.7133 8.4339 118.0524 60.9660 30.8137 173.5356 50 N 4.7576 8.7317 126.6101 52.2114 39.1746 174.9837 51 S 4.1822 8.5642 124.9165 61.2707 63.2663 176.4753 52 V 3.6201 7.8368 121.4245 65.9935 31.4159 177.4291 53 D 4.5443 9.2662 118.2454 57.5742 41.1096 177.7234 54 M 4.1032 8.4525 119.0219 58.4160 32.1987 178.2086 55 K 3.9593 8.3274 119.8303 59.8230 32.3805 177.7185 56 Y 3.7969 7.9514 119.7229 60.7199 38.4928 177.6161 57 F 3.8708 9.2088 121.5258 61.6378 39.6163 177.4969 58 R 3.6307 8.2020 118.1264 59.0703 29.7686 178.6381 59 S 3.9562 8.3449 114.4729 61.3692 62.8350 176.4634 60 V 3.2143 7.0475 121.5884 65.5397 31.2899 177.8731 61 T 2.9572 6.8746 106.9554 63.4726 68.5974 175.8805 62 T 4.1899 7.1050 117.7575 64.5304 69.3478 174.9148 63 Y 3.9662 7.5446 121.1959 58.2547 39.1312 175.9518 64 V 3.4590 7.0810 118.7837 59.1137 35.3035 174.9902 65 D 4.3395 6.1399 121.8783 51.6473 41.6978 175.6450 66 E 3.7845 8.4756 126.4507 59.6037 29.8313 180.1892 67 S 4.1518 7.8627 113.4840 61.8254 63.2351 176.5599 68 K 4.2622 8.0562 118.0250 57.7816 31.6329 178.5786 69 Y 4.3817 7.7446 121.4995 60.8253 38.7315 177.2964 70 E 3.1868 8.0297 119.0508 59.4266 29.6288 179.4022 71 K 3.8005 7.8881 118.5309 59.5878 32.1288 178.6093 72 L 3.8629 7.2025 118.0447 57.3005 41.5472 179.1005 73 K 3.5084 7.6443 119.8092 59.2921 32.0027 178.7976 74 W 4.4809 8.5452 119.7532 59.6314 28.8515 178.3797 75 K 3.9378 7.9784 119.1146 59.5382 31.5913 179.1745 76 R 3.7660 7.9808 118.1404 59.3000 30.1097 178.5147 77 E 3.9950 8.5368 118.8609 59.8493 29.0682 179.2747 78 R 3.8407 8.4871 118.6652 59.7039 29.9148 177.5135 79 Y 4.0454 8.0978 118.7621 60.9333 38.8214 178.1014 80 L 4.1391 8.5550 118.8449 57.9061 42.1355 179.5176 81 R 4.0101 7.8326 117.2037 59.7545 29.9088 178.9482 82 M 3.9003 7.2429 116.2938 59.0203 31.9693 177.2540 83 E 3.9162 7.6573 118.1747 56.5137 29.9616 175.9634 *106 K 3.9211 7.3161 120.1167 56.6537 34.3539 175.4247 107 L 4.1436 8.1844 123.9115 54.3716 42.8104 175.5086 108 Q 4.6529 8.1204 123.2919 54.4901 33.9738 174.0374 109 N 5.1887 8.7433 118.3936 52.8316 41.1428 173.9006 110 V 4.8576 8.7245 119.8378 61.4254 34.3387 174.6975 111 V 5.0142 8.7346 119.5314 59.5591 35.1108 174.6267 112 V 4.9856 8.9141 125.1438 61.2633 34.1951 174.1636 113 M 5.2900 8.9764 124.1297 53.5845 35.1191 174.9773 114 G 4.0057 9.2338 108.2396 45.8059 0.0000 174.6579 115 R 4.1483 8.4242 120.6909 59.6032 29.9940 179.1205 116 S 4.0984 8.0223 114.2078 61.6555 62.7198 175.9930 117 N 4.2450 8.0621 117.8268 56.2954 39.0145 176.0798 118 W 4.4124 8.6402 130.1480 60.7965 30.6437 177.9152 119 E 3.7880 8.5749 117.3115 58.8749 28.8977 179.1109 120 S 4.2093 7.7430 113.5665 59.5431 63.3162 174.5099 121 I 3.8046 6.6626 123.7976 59.5890 36.6019 174.1082 122 P 4.3092 0.0000 0.0000 62.5120 32.0341 177.4697 123 K 4.1504 8.7017 120.9895 59.6899 32.1258 179.4435 124 Q 4.4567 7.8478 115.9002 55.7468 27.8975 176.1920 125 Y 4.8276 8.8596 115.2662 59.0896 44.0061 174.9357 126 K 4.6827 7.3384 120.1930 53.9845 33.5257 174.7498 127 P 4.8807 0.0000 0.0000 61.7317 32.4523 175.8817 128 L 4.4049 9.7359 120.2522 53.6108 41.6573 175.8984 129 P 4.3396 0.0000 0.0000 64.0454 31.9259 176.0131 130 N 4.5131 9.6903 116.6174 53.6132 35.6435 174.0597 131 R 4.7474 7.4762 115.3196 54.6628 34.6236 174.8834 132 I 4.0734 8.6070 124.5346 61.1699 38.2780 174.8495 133 N 4.9572 8.8117 125.7344 52.5732 40.1696 174.5138 134 V 4.8715 8.8182 123.3440 60.9988 35.0963 174.1139 135 V 4.7438 8.7373 127.5554 61.0206 34.2481 173.9604 136 L 4.9678 8.5563 127.9911 53.7381 43.2605 175.5812 137 S 4.5107 9.0159 117.3628 57.7331 66.0897 175.0202 138 K 4.5295 8.8972 123.0446 56.2222 33.6944 176.3792 139 T 4.3551 8.0459 107.0929 63.6962 70.0922 175.2986 140 L 4.0949 7.6764 120.3657 55.1649 42.3502 175.7952 141 T 4.6603 7.9012 113.1542 60.5201 70.6702 174.9741 142 K 4.0471 8.5133 123.5526 59.3350 32.3608 178.8474 143 E 4.0870 8.1948 117.6795 59.5053 29.3369 177.7715 144 D 4.3601 7.8309 117.2942 57.2941 41.2212 176.5198 145 V 3.8845 7.8653 119.6466 62.8380 31.6979 176.2744 146 K 4.3561 8.6397 125.9050 56.7094 32.8381 176.7070 147 E 4.2986 7.9003 118.2819 55.3694 30.3202 176.9361 148 K 4.1663 8.2863 122.3020 55.9913 30.8708 175.9646 149 V 4.5538 7.2948 116.4235 59.5192 35.9877 174.0401 150 F 4.3690 9.3214 123.3747 57.2906 40.3067 174.5333 151 I 4.9649 8.3675 123.2827 59.4704 39.3553 175.0020 152 I 4.7811 8.8230 119.9128 59.1696 40.9458 175.5665 153 D 5.4028 8.7212 121.4625 52.3567 40.2324 176.3397 154 S 4.5457 7.1708 113.4511 57.0273 66.1636 176.9138 155 I 3.7098 7.9033 123.3802 64.3373 36.8007 178.3894 156 D 4.3196 8.0234 119.4619 57.7006 40.7909 178.5595 157 D 4.3727 7.9388 118.7548 56.7900 40.6186 178.6737 158 L 3.8283 7.6865 121.4774 57.8988 42.0233 178.9125 159 L 3.6634 8.0365 119.2064 57.5254 41.3090 179.2340 160 L 3.8646 7.5591 117.7887 57.7434 41.9437 179.0708 161 L 3.9002 7.7640 119.8559 58.2094 41.7912 178.9578 162 L 3.7771 7.4850 117.4955 57.6285 41.5408 178.9854 163 K 4.0537 7.9234 119.2507 58.1462 32.5684 176.9289 164 K 4.7556 7.7695 117.3199 55.7150 32.7995 175.5967 165 L 4.6303 7.7745 118.3584 54.2993 45.4634 174.7417 166 K 4.5288 8.6754 125.8922 55.0515 32.4765 174.8104 167 Y 4.9195 7.8189 123.0597 55.6888 40.4275 172.7835 168 Y 4.4227 8.0248 121.9177 57.6523 38.0586 175.1499 169 K 4.3717 8.9540 116.3170 54.4475 36.8869 174.6545 170 C 4.9129 7.9930 122.1456 57.8155 33.9083 172.4521 171 F 5.3784 9.4607 126.2767 56.0692 41.0840 175.0620 172 I 4.6040 9.3267 125.4925 59.9498 38.3350 175.9665 173 I 5.0979 8.2739 120.7492 60.0072 38.4769 175.8253 174 G 3.3772 8.0758 108.9580 45.1601 0.0000 173.4245 175 G 4.0060 8.0679 108.4550 43.9167 0.0000 174.7917 176 A 4.2289 8.7548 121.9367 55.9383 18.5260 179.8347 177 Q 3.9601 8.0370 115.6104 59.0664 28.7657 179.1442 178 V 3.6066 7.5661 118.9060 65.8458 31.5861 177.6197 179 Y 4.2794 7.7655 116.6110 61.2742 37.7242 177.9455 180 R 3.8333 8.1451 119.5099 59.6454 30.2303 177.6622 181 E 3.9392 8.2220 118.3254 59.8567 29.6181 179.0312 182 C 4.2290 7.9673 115.9466 62.9094 28.0983 176.1585 183 L 4.1306 8.4927 120.8933 57.5476 40.9400 179.3548 184 S 4.2835 8.3999 112.9773 60.4401 62.3979 175.2396 185 R 4.3962 7.7296 118.0416 54.7415 30.6246 175.6418 186 N 4.2704 7.7369 115.1823 54.7455 36.5068 174.6730 187 L 4.5640 8.2259 114.4115 54.4992 42.3406 176.7468 188 I 4.6790 7.6782 120.4831 59.7424 38.5550 175.0883 189 K 4.4258 9.5559 128.2757 58.6049 33.5587 176.4854 190 Q 5.1642 8.1793 116.4535 54.2522 33.8134 174.2098 191 I 5.0914 8.6209 121.8594 59.9646 40.6442 174.4306 192 Y 4.7454 9.9995 127.0089 57.0030 39.0552 174.5694 193 F 4.9898 9.4142 128.5356 56.6766 41.7850 174.2667 194 T 4.7606 8.7192 123.8055 62.4994 70.6578 174.2529 195 R 4.5923 8.4042 125.2125 54.4635 32.4201 175.7514 196 I 3.7007 9.2100 128.3163 59.9649 37.6097 175.7483 197 N 4.9582 8.8189 129.4331 51.7401 36.1335 174.0111 198 G 4.1276 7.7734 106.1356 45.0482 0.0000 169.8470 199 A 5.5713 7.9768 123.5327 50.1479 21.1022 175.8065 200 Y 4.8046 8.0551 115.7433 56.2291 42.7867 172.4668 201 P 4.8249 0.0000 0.0000 63.2010 32.2739 176.0702 202 C 4.7815 8.5468 119.4290 58.6690 32.3031 173.5039 203 D 4.9938 8.7925 121.8218 52.9257 40.7554 175.3330 204 V 4.5542 6.6057 118.9334 61.4359 34.9189 173.8606 205 F 6.0778 8.5677 124.5429 54.2856 43.0547 174.3647 206 F 4.4689 9.1960 124.0891 57.4309 39.7255 173.3792 207 P 4.3588 0.0000 0.0000 62.5721 31.7751 175.7339 208 E 4.3342 8.5329 121.5065 56.2613 30.3516 175.5672 209 F 4.8869 7.6737 117.5355 55.0863 40.5314 173.5824 210 D 4.3408 8.8194 120.9513 54.5447 40.1885 176.4367 211 E 4.4316 8.4594 126.4057 57.4055 29.7961 178.9851 212 S 4.3837 8.3595 114.3304 60.2936 63.7212 174.9388 213 E 4.2326 8.1239 117.3799 56.6934 29.7919 175.7824 214 F 5.4296 7.8839 116.7807 55.9545 42.9750 174.1665 215 R 4.9111 8.7667 117.5118 54.6503 33.0706 174.7741 216 V 3.8601 8.4650 115.6576 61.8850 31.3945 175.8929 217 T 4.4831 9.1993 116.2546 61.8676 70.7644 174.9615 218 S 4.5776 7.6234 118.3105 56.9305 67.4382 173.1080 219 V 4.5987 8.3419 123.9487 60.8741 33.4474 175.0284 220 S 4.6290 8.8899 123.4515 57.6550 64.2842 173.7025 221 E 4.2575 8.7051 120.1447 55.8689 30.0363 176.7110 222 V 4.2069 7.9013 119.9219 63.0152 32.4830 174.6214 223 Y 4.7067 8.9496 123.4641 56.0790 41.9880 174.3008 224 N 5.1446 8.8553 120.1426 52.2396 41.3460 174.1121 225 S 4.5228 9.1785 123.4177 57.0759 62.1097 173.6824 226 K 4.0806 9.8476 128.0381 57.4885 29.6098 175.6786 227 G 4.1838 8.6686 107.7596 46.1508 0.0000 175.2983 228 T 4.2358 7.8335 116.3294 63.0720 69.4622 174.1906 229 T 5.5549 8.3514 115.6474 60.3805 71.6632 173.1644 230 L 5.3250 8.0649 120.0733 55.8728 43.5455 173.1656 231 D 4.6521 7.8866 118.6925 51.6501 43.9447 173.8612 232 F 4.9445 8.6050 117.0811 55.8444 41.5536 174.5323 233 L 5.1205 8.9715 124.5337 52.9431 44.5207 175.9776 234 V 4.6477 8.5989 122.0240 61.3993 34.5462 173.7766 235 Y 5.1753 8.9784 125.4678 56.5245 40.7143 174.9718 236 S 5.2877 8.9282 117.8476 56.2225 67.1533 173.6158 237 K 3.7364 8.7788 124.7060 56.5738 32.7841 176.9118 238 V 3.9208 8.3594 125.6822 63.0820 31.0659 175.5302 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 E 8.44 4.20 0.00 2.08 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 2.19 2.34 0.00 3 N 8.34 4.35 0.00 2.88 2.71 0.00 0.00 6.92 5.78 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 4 L 8.34 3.99 0.00 1.78 1.83 0.99 0.87 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 5 S 8.49 4.26 0.00 4.30 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.02 4.33 0.00 2.77 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 7 V 7.59 3.22 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 -0.92 0.00 0.00 0.63 0.00 0.00 8 F 7.83 4.66 0.00 3.22 3.17 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 9 D 7.42 4.21 0.00 2.52 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 0.00 0.00 0.00 10 I 8.29 4.35 2.12 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 1.23 0.66 0.99 0.00 0.00 11 Y 8.88 5.63 0.00 2.80 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 12 A 9.69 5.56 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 13 I 9.32 5.46 2.12 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.98 1.26 0.00 0.00 14 C 9.30 4.92 0.00 2.81 2.81 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 15 A 8.33 4.97 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 16 C 9.26 6.00 0.00 3.03 3.03 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 17 C 8.85 6.04 0.00 3.55 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 18 K 8.52 4.63 0.00 1.73 1.58 0.00 1.45 0.00 0.00 1.44 0.00 0.00 2.38 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.69 0.62 7.81 19 V 8.28 4.62 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 0.95 0.00 0.00 1.31 0.00 0.00 20 A 8.77 4.49 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 21 P 0.00 4.45 0.00 2.15 2.05 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 22 T 7.84 4.70 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 23 S 9.09 4.58 0.00 3.84 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 24 E 7.18 4.53 0.00 1.93 1.68 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 2.10 1.84 0.00 25 G 8.02 4.60 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 0.00 0.00 0.00 26 T 8.34 4.28 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 1.22 0.00 0.00 27 K 7.70 4.29 0.00 1.76 1.80 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.48 7.81 28 N 8.24 4.10 0.00 2.64 2.76 0.00 0.00 6.88 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 29 E 8.21 4.53 0.00 1.91 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 2.26 2.41 0.00 30 P 0.00 4.14 0.00 1.33 1.88 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.77 0.00 31 F 7.58 4.91 0.00 3.02 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 32 S 7.92 4.19 0.00 3.97 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 33 P 0.00 4.00 0.00 2.08 2.11 0.00 3.72 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 2.03 2.09 0.00 34 R 7.14 4.43 0.00 1.85 1.95 0.00 3.56 0.00 0.00 3.53 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 35 T 8.60 3.84 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 0.85 0.00 0.00 36 F 8.32 4.97 0.00 3.20 3.32 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 37 R 8.49 4.98 0.00 2.14 2.32 0.00 3.05 0.00 0.00 3.51 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 38 G 9.15 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 0.00 0.00 0.00 0.00 39 L 8.81 4.57 0.00 1.76 1.69 1.15 1.31 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 40 G 7.43 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 0.00 0.00 0.00 41 N 9.45 5.49 0.00 2.71 2.50 0.00 0.00 7.12 5.12 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 42 K 9.80 3.55 0.00 1.87 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.46 7.81 43 G 8.53 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 0.00 0.00 0.00 44 T 7.32 4.53 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 1.13 0.00 0.00 45 L 7.71 3.72 0.00 0.92 0.13 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 3.83 0.00 2.02 2.31 0.00 2.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 47 W 5.72 3.94 0.00 2.79 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 0.00 0.00 0.00 48 K 8.24 4.22 0.00 1.79 1.64 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 0.98 7.81 49 C 8.43 3.71 0.00 2.92 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 50 N 8.73 4.76 0.00 2.82 2.80 0.00 0.00 6.87 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.56 4.18 0.00 4.15 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 0.00 52 V 7.84 3.62 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 1.13 0.00 0.00 1.04 0.00 0.00 53 D 9.27 4.54 0.00 2.82 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 54 M 8.45 4.10 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 55 K 8.33 3.96 0.00 2.05 2.06 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 56 Y 7.95 3.80 0.00 2.77 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 57 F 9.21 3.87 0.00 3.22 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 58 R 8.20 3.63 0.00 2.01 2.14 0.00 3.18 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 59 S 8.34 3.96 0.00 3.90 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 60 V 7.05 3.21 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 -0.13 0.00 0.00 -0.10 0.00 0.00 61 T 6.87 2.96 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 -0.20 0.00 0.00 62 T 7.11 4.19 4.23 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 1.18 0.00 0.00 63 Y 7.54 3.97 0.00 2.98 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 64 V 7.08 3.46 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 0.60 0.00 0.00 0.56 0.00 0.00 65 D 6.14 4.34 0.00 2.57 2.44 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 66 E 8.48 3.78 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 67 S 7.86 4.15 0.00 3.90 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 68 K 8.06 4.26 0.00 2.06 2.00 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.55 1.68 7.81 69 Y 7.74 4.38 0.00 2.97 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.03 3.19 0.00 1.62 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 2.20 1.98 0.00 71 K 7.89 3.80 0.00 1.86 1.82 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.65 7.81 72 L 7.20 3.86 0.00 1.64 1.47 0.75 0.57 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 73 K 7.64 3.51 0.00 0.79 1.29 0.00 1.44 0.00 0.00 1.41 0.00 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.28 7.81 74 W 8.55 4.48 0.00 3.39 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.98 3.94 0.00 1.93 1.91 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.43 7.81 76 R 7.98 3.77 0.00 1.98 2.01 0.00 3.03 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.00 77 E 8.54 4.00 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 78 R 8.49 3.84 0.00 1.97 2.19 0.00 3.13 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 79 Y 8.10 4.05 0.00 2.94 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 80 L 8.56 4.14 0.00 1.99 1.78 1.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.83 4.01 0.00 1.97 1.94 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 82 M 7.24 3.90 0.00 1.89 2.08 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 83 E 7.66 3.92 0.00 1.93 1.74 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 2.17 1.86 0.00 *106 K 7.32 3.92 0.00 1.83 1.81 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.35 7.81 107 L 8.18 4.14 0.00 1.31 1.37 0.37 0.27 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 0.00 108 Q 8.12 4.65 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 109 N 8.74 5.19 0.00 2.97 3.14 0.00 0.00 6.31 7.68 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 0.00 110 V 8.72 4.86 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 0.87 0.00 0.00 0.59 0.00 0.00 111 V 8.73 5.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.09 0.00 0.00 112 V 8.91 4.99 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 1.05 0.00 0.00 0.87 0.00 0.00 113 M 8.98 5.29 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 114 G 9.23 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 0.00 0.00 0.00 115 R 8.42 4.15 0.00 2.00 1.99 0.00 3.32 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 116 S 8.02 4.10 0.00 3.89 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 0.00 117 N 8.06 4.25 0.00 2.71 3.02 0.00 0.00 6.89 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 W 8.64 4.41 0.00 3.39 3.32 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 0.00 119 E 8.57 3.79 0.00 2.02 1.93 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 2.37 2.59 0.00 120 S 7.74 4.21 0.00 4.11 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 0.00 121 I 6.66 3.80 1.66 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 0.52 0.76 0.00 0.00 122 P 0.00 4.31 0.00 2.41 2.09 0.00 3.34 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 123 K 8.70 4.15 0.00 1.82 1.82 0.00 1.47 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.39 7.81 124 Q 7.85 4.46 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 125 Y 8.86 4.83 0.00 3.09 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 0.00 126 K 7.34 4.68 0.00 1.77 1.46 0.00 0.61 0.00 0.00 1.30 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.28 7.81 127 P 0.00 4.88 0.00 2.33 2.23 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 128 L 9.74 4.40 0.00 1.76 1.80 1.16 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.34 0.00 2.19 2.08 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 130 N 9.69 4.51 0.00 2.92 3.02 0.00 0.00 6.76 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 0.00 131 R 7.48 4.75 0.00 1.83 1.82 0.00 3.19 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 132 I 8.61 4.07 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 1.12 0.00 0.00 133 N 8.81 4.96 0.00 2.67 2.71 0.00 0.00 6.47 7.68 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 0.00 134 V 8.82 4.87 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 0.87 0.00 0.00 0.91 0.00 0.00 135 V 8.74 4.74 1.66 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 0.80 0.00 0.00 -0.06 0.00 0.00 136 L 8.56 4.97 0.00 1.71 1.53 0.88 1.08 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 0.00 137 S 9.02 4.51 0.00 3.79 3.59 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 0.00 138 K 8.90 4.53 0.00 1.69 1.75 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.43 7.81 139 T 8.05 4.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 140 L 7.68 4.09 0.00 1.62 1.64 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 141 T 7.90 4.66 4.23 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 1.40 0.00 0.00 142 K 8.51 4.05 0.00 1.76 1.83 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.35 7.81 143 E 8.19 4.09 0.00 1.94 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 2.31 2.38 0.00 144 D 7.83 4.36 0.00 2.86 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 0.00 145 V 7.87 3.88 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 0.80 0.00 0.00 1.00 0.00 0.00 146 K 8.64 4.36 0.00 1.80 1.85 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.53 7.81 147 E 7.90 4.30 0.00 2.23 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 2.64 2.48 0.00 148 K 8.29 4.17 0.00 1.65 1.73 0.00 1.44 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.35 1.41 7.81 149 V 7.29 4.55 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 0.47 0.00 0.00 0.46 0.00 0.00 150 F 9.32 4.37 0.00 2.91 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 0.00 151 I 8.37 4.96 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.84 0.00 0.00 152 I 8.82 4.78 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.32 0.84 0.00 0.00 153 D 8.72 5.40 0.00 2.77 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 0.00 154 S 7.17 4.55 0.00 3.98 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 0.00 155 I 7.90 3.71 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.90 0.89 0.00 0.00 156 D 8.02 4.32 0.00 2.74 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 0.00 157 D 7.94 4.37 0.00 2.86 2.66 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 0.00 158 L 7.69 3.83 0.00 1.68 1.71 0.75 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.04 3.66 0.00 1.78 1.51 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.56 3.86 0.00 1.70 1.68 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.76 3.90 0.00 1.65 1.59 0.11 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.49 3.78 0.00 1.26 1.48 0.70 0.27 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 0.00 163 K 7.92 4.05 0.00 1.81 1.90 0.00 1.99 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.68 7.81 164 K 7.77 4.76 0.00 1.90 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.28 7.81 165 L 7.77 4.63 0.00 1.56 1.53 0.89 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.68 4.53 0.00 1.81 1.74 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.64 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.41 7.81 167 Y 7.82 4.92 0.00 3.22 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 0.00 168 Y 8.02 4.42 0.00 2.80 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 0.00 169 K 8.95 4.37 0.00 1.85 0.74 0.00 0.73 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.09 0.34 7.81 170 C 7.99 4.91 0.00 2.66 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 0.00 171 F 9.46 5.38 0.00 3.09 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 0.00 172 I 9.33 4.60 2.14 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 1.68 1.05 0.93 0.00 0.00 173 I 8.27 5.10 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.16 1.35 0.00 0.00 174 G 8.08 3.38 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 0.00 175 G 8.07 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 0.00 176 A 8.75 4.23 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 0.00 177 Q 8.04 3.96 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 178 V 7.57 3.61 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.86 0.00 0.00 179 Y 7.77 4.28 0.00 3.15 2.66 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 0.00 180 R 8.15 3.83 0.00 2.02 2.09 0.00 3.14 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 181 E 8.22 3.94 0.00 2.16 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 0.00 182 C 7.97 4.23 0.00 3.23 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 0.00 183 L 8.49 4.13 0.00 1.82 1.80 0.65 0.36 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 0.00 184 S 8.40 4.28 0.00 4.07 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 0.00 185 R 7.73 4.40 0.00 1.90 1.97 0.00 3.55 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 186 N 7.74 4.27 0.00 2.85 2.92 0.00 0.00 6.83 8.61 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 0.00 187 L 8.23 4.56 0.00 1.84 1.73 0.94 0.64 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 0.00 188 I 7.68 4.68 2.13 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 1.10 0.00 0.00 189 K 9.56 4.43 0.00 2.03 2.26 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.55 7.81 190 Q 8.18 5.16 0.00 1.46 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.62 0.00 0.00 0.00 0.00 0.00 2.18 1.71 0.00 191 I 8.62 5.09 1.71 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.51 0.92 0.00 0.00 192 Y 10.00 4.75 0.00 3.10 3.24 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 0.00 193 F 9.41 4.99 0.00 3.10 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 0.00 194 T 8.72 4.76 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 1.06 0.00 0.00 195 R 8.40 4.59 0.00 1.44 0.66 0.00 2.21 0.00 0.00 2.70 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.36 0.00 196 I 9.21 3.70 1.57 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.36 0.50 0.00 0.00 197 N 8.82 4.96 0.00 2.80 2.86 0.00 0.00 7.01 7.51 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 0.00 198 G 7.77 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 0.00 0.00 0.00 199 A 7.98 5.57 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 8.06 4.80 0.00 3.01 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 0.00 201 P 0.00 4.82 0.00 2.16 2.02 0.00 3.85 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 2.08 2.17 0.00 202 C 8.55 4.78 0.00 2.91 2.45 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 0.00 203 D 8.79 4.99 0.00 2.69 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 V 6.61 4.55 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 1.05 0.00 0.00 0.82 0.00 0.00 205 F 8.57 6.08 0.00 3.03 3.17 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 0.00 206 F 9.20 4.47 0.00 3.14 3.24 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 0.00 207 P 0.00 4.36 0.00 2.12 1.98 0.00 2.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.04 0.00 208 E 8.53 4.33 0.00 1.97 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 2.26 2.27 0.00 209 F 7.67 4.89 0.00 3.29 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 0.00 210 D 8.82 4.34 0.00 2.81 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 0.00 211 E 8.46 4.43 0.00 1.96 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 1.47 1.78 0.00 212 S 8.36 4.38 0.00 4.03 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 0.00 213 E 8.12 4.23 0.00 1.99 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 0.00 2.76 2.33 0.00 214 F 7.88 5.43 0.00 3.27 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 0.00 215 R 8.77 4.91 0.00 1.89 2.04 0.00 2.79 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 216 V 8.47 3.86 1.72 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 0.08 0.00 0.00 0.81 0.00 0.00 217 T 9.20 4.48 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 1.25 0.00 0.00 218 S 7.62 4.58 0.00 3.69 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 0.00 219 V 8.34 4.60 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 0.76 0.00 0.00 0.82 0.00 0.00 220 S 8.89 4.63 0.00 4.21 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 E 8.71 4.26 0.00 1.91 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 2.35 2.24 0.00 222 V 7.90 4.21 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 0.75 0.00 0.00 0.89 0.00 0.00 223 Y 8.95 4.71 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 0.00 224 N 8.86 5.14 0.00 2.69 2.71 0.00 0.00 6.84 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 S 9.18 4.52 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 K 9.85 4.08 0.00 1.96 1.90 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.45 7.81 227 G 8.67 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 T 7.83 4.24 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 229 T 8.35 5.55 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 1.20 0.00 0.00 230 L 8.06 5.33 0.00 1.40 1.52 0.73 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 231 D 7.89 4.65 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 F 8.60 4.94 0.00 2.80 2.66 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 0.00 233 L 8.97 5.12 0.00 1.70 1.29 0.77 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 234 V 8.60 4.65 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 0.43 0.00 0.00 0.85 0.00 0.00 235 Y 8.98 5.18 0.00 2.81 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 0.00 236 S 8.93 5.29 0.00 3.77 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 0.00 237 K 8.78 3.74 0.00 1.69 1.63 0.00 1.27 0.00 0.00 1.10 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.17 7.81 238 V 8.36 3.92 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 0.75 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.