NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1309 8.0249 121.4599 60.2080 38.1013 175.0370 3 P 4.1184 0.0000 0.0000 61.4398 31.9837 175.5071 4 D 5.5329 9.3900 124.3774 53.9509 39.8860 176.0385 5 D 4.8791 7.9752 115.8795 54.8105 43.4469 176.6692 6 E 4.4231 8.4177 117.6341 55.7779 29.5469 175.3243 7 F 4.8343 7.8543 118.4323 55.4174 40.1452 175.7313 8 I 3.9058 9.0496 128.3069 61.1510 37.4464 175.7812 9 K 4.5914 8.5313 123.9418 54.5209 34.6818 175.1855 10 N 4.8045 8.4780 122.1577 51.5123 40.0981 173.7332 11 P 4.5097 0.0000 0.0000 64.2812 31.5430 176.7482 12 S 4.5335 7.7863 113.0643 59.0079 64.6783 174.7913 13 V 3.8674 7.3466 120.6156 61.2802 31.9105 173.8974 14 P 4.4347 0.0000 0.0000 62.6982 32.4131 174.5762 15 G 3.6624 8.5138 104.4898 43.4624 0.0000 171.5865 16 P 4.2516 0.0000 0.0000 62.0929 31.8784 176.2830 17 T 3.8788 8.0004 115.8811 63.1438 69.5118 175.1572 18 A 4.4208 8.2936 124.0330 51.7100 18.2370 177.8274 *20 E 4.2766 8.7630 110.1624 56.9123 31.9616 178.5133 21 V 3.5821 7.5958 117.5946 66.0033 31.4760 178.1310 22 R 3.9640 8.0789 117.0359 59.1986 29.8906 178.3256 23 C 4.2118 7.8959 117.2630 62.4980 31.8996 174.9846 24 L 4.0988 7.7007 121.5129 57.8990 41.5448 179.3088 25 I 3.8034 7.9363 117.6510 62.3177 36.9578 177.5316 *27 C 4.4886 8.0173 119.4284 59.8651 29.9690 175.4663 28 L 3.9389 8.0539 118.6660 57.3783 41.4110 178.3752 29 A 3.9612 8.3479 121.3280 53.3290 18.9751 177.2155 30 E 3.7455 8.1626 113.2114 56.6362 26.6536 173.2385 31 P 4.2961 0.0000 0.0000 62.7338 32.6752 176.7896 32 G 4.2570 8.7111 111.4985 43.2567 0.0000 174.3407 33 K 4.1982 8.5970 120.0988 57.8727 32.2093 177.6349 34 N 4.9104 8.0221 114.4774 52.9397 39.2131 173.9500 35 D 5.0042 8.0157 119.2751 53.5843 43.0977 175.4963 36 V 4.9034 9.0094 121.6254 61.2369 33.7463 174.3902 37 A 5.5047 9.2961 129.5899 50.0461 22.9362 174.8373 38 V 4.8537 8.6979 118.4256 59.9935 34.9123 174.2012 39 D 5.1483 9.3030 125.0202 52.4073 42.8327 174.8859 40 V 3.7974 8.8513 128.1008 62.8197 32.2461 174.9854 41 G 3.5246 8.5935 117.9696 46.0601 0.0000 172.6757 42 C 4.6776 8.2865 114.7028 58.8361 31.7078 177.0123 43 G 3.7963 8.0447 108.4629 47.0740 0.0000 176.8964 44 T 3.9687 7.9962 121.5782 64.5684 68.4080 175.2213 45 G 4.1793 8.6372 109.4128 45.0268 0.0000 175.4379 46 G 3.2749 8.1904 107.6529 47.8590 0.0000 175.9711 47 V 3.7506 7.5819 119.9891 65.5014 31.7407 178.0197 48 T 3.8909 7.8339 115.0735 66.6332 68.1337 176.3236 49 L 4.0561 8.3646 121.1872 57.9100 41.4453 179.5128 50 E 4.0167 7.5428 117.3121 59.4340 29.6494 179.1318 51 L 4.1118 8.1234 118.8380 57.4941 41.4290 179.0855 52 A 4.0958 8.3009 120.5368 55.2699 18.3937 179.2095 53 G 3.8997 7.5132 100.0803 45.3686 0.0000 174.2893 54 R 4.5291 8.3433 119.3249 55.3569 32.5337 175.4320 55 V 4.6122 7.4301 109.2504 59.0997 34.7343 175.6515 56 R 4.1057 8.5976 120.8603 59.2499 30.1587 176.7249 57 R 4.7646 7.7993 118.0573 54.4925 33.9285 173.2174 58 V 4.8366 8.5773 125.4035 61.2551 34.9951 173.7056 59 Y 4.9240 9.0936 125.2560 56.4006 39.6719 174.4512 60 A 5.1186 8.7110 127.7307 50.4861 20.9271 175.5700 61 I 4.5663 8.2831 123.6149 60.0399 40.6578 174.5986 62 D 4.6002 8.1643 120.8969 53.8360 44.0291 176.3717 63 R 3.9219 9.0452 125.8569 59.3381 30.4950 177.3460 64 N 4.4407 8.1490 117.5310 52.7842 39.7229 173.8325 65 P 4.3376 0.0000 0.0000 65.8540 31.3160 178.4002 66 E 3.9855 8.1619 118.1022 59.1593 29.3975 178.8206 67 A 3.9662 7.9305 120.3695 55.1722 18.5386 179.4770 68 I 3.6456 7.5686 118.0491 64.5652 36.9581 178.3245 69 S 4.8386 7.9464 114.2857 61.4691 62.3184 176.0181 70 T 4.0394 8.5551 118.1903 66.8864 68.4941 176.5924 71 T 4.3027 8.3930 118.2299 66.3830 68.5838 178.5147 72 E 4.1547 8.0047 119.2661 56.6170 29.6135 178.4812 *74 N 4.6934 8.2435 119.0241 54.4022 41.1103 177.1162 75 L 3.9972 8.1339 118.1517 58.0617 42.1650 179.3712 76 Q 3.9429 8.2773 117.5817 59.0505 28.8138 179.0517 77 R 3.7878 8.0347 116.0872 59.3026 30.1220 176.3745 78 H 4.6289 8.2607 113.2820 55.2893 29.1248 175.2049 79 G 4.0482 7.8136 106.0698 46.8170 0.0000 173.4060 80 L 4.8021 8.8462 116.1088 52.8944 45.9694 176.2630 81 G 3.5113 8.7937 109.1812 45.5080 0.0000 175.7429 82 D 4.4280 8.0697 120.0791 55.2936 39.7684 176.7067 83 N 4.8464 8.1091 116.3895 52.0734 37.6916 172.9371 84 V 4.5504 7.4767 118.4368 61.9942 33.5953 175.1466 85 T 4.3690 8.5595 125.7818 62.0637 69.6385 174.6490 86 L 4.8761 8.0971 127.1119 53.1170 43.6706 175.9734 *88 E 4.1218 8.5513 119.3289 55.9994 30.2170 174.9865 89 G 4.3818 7.9252 112.0294 42.9158 0.0000 172.7604 90 D 4.4357 8.2454 119.4931 53.4950 42.8489 175.9108 91 A 4.0194 8.7230 129.1575 55.1762 18.1282 177.7853 92 P 4.1404 0.0000 0.0000 65.8999 31.7353 178.1051 93 E 4.0241 8.1128 116.7689 59.3588 29.8795 178.3115 94 A 4.0056 7.7009 120.9217 55.3772 17.8904 179.5831 95 L 3.9352 8.4742 117.6330 58.0790 41.4327 179.4041 96 C 4.2802 7.9409 115.4903 61.8135 28.1415 175.2902 97 K 4.2324 7.6196 118.5008 56.2210 32.2086 176.7968 98 I 3.8956 6.3117 111.7275 58.3683 39.0529 173.9817 99 P 4.5179 0.0000 0.0000 61.9636 33.0515 175.4197 100 D 4.8197 8.4472 117.3349 54.6639 41.9388 175.7886 101 I 4.8294 8.8531 114.8722 59.6203 40.4593 175.7167 102 D 4.6550 9.3463 123.1274 55.5035 42.9450 176.6966 103 I 5.1486 7.6780 117.7842 59.3240 41.6093 174.5178 104 A 5.0258 9.1348 127.5393 50.2815 22.1588 174.7827 105 V 4.5736 8.7791 123.1999 61.4071 34.2982 174.7481 106 V 4.3443 8.9126 129.5249 61.6447 31.6932 175.9966 107 G 3.9132 9.2179 115.6946 46.7507 0.0000 172.4227 108 G 4.1991 7.4942 105.9475 44.9215 0.0000 173.4067 109 S 4.5314 8.4405 116.5743 56.8015 65.1423 174.6836 110 G 4.0884 9.3906 107.9923 46.3121 0.0000 174.3314 111 G 4.0172 8.7308 108.3121 44.8474 0.0000 174.6745 112 E 4.6499 8.0703 119.2217 55.8656 30.3675 177.9702 113 L 3.8950 8.2504 121.8785 58.5437 41.9813 177.9016 114 Q 3.9254 8.0916 118.6320 59.2675 28.9486 177.9315 115 E 3.8983 8.1058 119.4870 59.4634 29.7022 178.5726 116 I 3.7172 7.9796 120.0205 64.5392 37.1848 178.5041 117 L 4.0121 8.3197 120.0311 57.6023 40.9575 179.8027 118 R 4.0069 8.0890 118.3675 59.1406 29.7721 179.1217 119 I 3.7674 7.6077 118.6514 64.5405 37.3201 178.2177 120 I 3.8327 8.0838 120.9864 64.0293 36.8216 178.2866 121 K 4.1228 8.2118 120.5150 59.9611 31.9233 178.6215 122 D 4.5199 7.6986 115.5964 56.1712 41.0036 177.7495 123 K 4.7232 7.5824 119.1735 54.2250 32.3352 175.1292 124 L 4.8242 7.2558 122.8168 54.0782 42.5992 176.7947 125 K 4.3572 9.0571 126.5099 55.4869 33.6357 174.6734 126 P 4.3429 0.0000 0.0000 63.7515 31.7183 177.3727 127 G 3.9050 9.1143 111.1174 45.6397 0.0000 173.8128 128 G 3.9428 7.7177 106.1535 46.1979 0.0000 173.6836 129 R 4.8847 9.0322 119.7755 54.1141 33.8184 174.8350 130 I 4.8991 8.3031 123.3683 59.5583 40.5312 174.7437 131 I 4.9416 8.8207 126.7440 59.7035 41.0688 174.2014 132 V 4.6610 9.1137 127.9090 61.4456 33.6598 174.4603 133 T 4.8624 8.5101 125.1024 62.3984 69.4970 174.0495 134 A 4.8284 9.1215 129.6414 50.1567 20.9776 176.4440 135 I 4.1600 8.6183 115.2620 60.9797 39.9205 176.4043 136 L 4.4564 7.5971 121.7852 53.3505 43.5882 177.0024 137 L 4.0029 8.5439 124.6265 58.4794 42.0325 179.2443 138 E 4.0883 8.1446 117.9434 59.7994 29.4340 179.2630 139 T 3.9825 7.9360 115.2852 66.4902 68.2999 176.6866 140 K 3.9766 7.7813 119.2411 59.4419 32.1370 178.8937 141 F 4.3402 7.8705 119.9995 61.1387 39.6388 176.1701 142 E 3.7804 8.9410 118.8715 59.2813 29.3698 179.2940 143 A 4.0285 7.8537 116.3330 53.2666 18.0915 178.3931 *145 E 3.9947 8.0581 122.4089 57.4901 31.6710 177.5618 146 C 4.0302 8.2090 118.4890 62.6777 31.6422 175.6971 147 L 4.1899 8.3078 120.6975 57.5833 40.9819 179.9352 148 R 3.9588 7.8710 117.9166 59.4044 29.9836 178.5239 149 D 4.3687 8.1237 117.3464 56.7796 40.8040 177.8391 150 L 4.4663 7.7414 117.3522 54.3299 41.8468 177.3751 151 G 3.7437 8.1298 107.5147 45.3688 0.0000 173.6816 152 F 4.6976 7.8061 117.4969 56.2390 41.0163 175.0405 153 D 4.6765 8.7238 121.0651 53.5587 42.1029 175.0779 154 V 4.6768 8.3306 125.9531 61.3944 33.6395 174.4005 155 N 4.9884 8.5240 122.9239 51.4437 43.0735 173.1396 156 I 5.1356 8.0600 119.9030 59.7904 41.6486 174.3601 157 T 4.7240 9.1070 124.6413 61.7684 72.3000 172.2188 158 E 5.0447 8.9892 127.2221 54.4919 31.5259 174.6015 159 L 4.6904 8.6460 127.4096 53.1638 44.1191 175.2380 160 N 5.0612 8.8450 121.2490 51.7933 40.4028 173.8374 161 I 4.6150 8.3114 124.5879 59.3612 40.1425 174.7646 162 A 5.1587 8.5063 126.6102 50.2232 21.8279 175.3505 163 R 4.6060 9.1276 121.4834 53.9057 32.9027 176.4291 164 G 3.7578 8.7824 112.5724 45.5119 0.0000 172.7413 165 R 4.5062 8.1563 120.5505 53.7901 33.2979 174.1657 166 A 4.6103 8.5654 127.1939 51.8124 20.3220 175.7478 167 L 4.1950 9.2520 126.7162 56.3483 40.7928 179.2227 168 D 4.6143 9.0445 116.7350 53.1112 39.8087 177.4600 169 R 4.2725 7.9628 119.5505 56.4714 29.9903 177.1546 170 G 3.9879 8.1022 106.9073 44.6029 0.0000 172.0661 171 T 5.1962 7.8424 114.8262 60.6964 71.8801 174.4328 *174 V 3.9602 8.0451 121.8038 63.0027 32.7720 174.6011 175 S 5.1519 8.6951 121.9293 57.4116 64.8612 173.5304 176 R 4.6975 8.4433 120.1615 53.9700 32.4713 176.1728 177 N 4.4364 8.5587 118.1614 52.7446 39.1447 173.4175 178 P 4.6716 0.0000 0.0000 63.1669 32.4773 175.7215 179 V 4.5314 8.3845 120.7604 61.2367 35.0335 173.8814 180 A 5.2988 8.9319 128.9429 50.2172 22.2138 175.3779 181 L 5.0693 9.1259 120.7719 53.1710 44.7724 175.7107 182 I 4.9295 8.8674 126.6707 59.9474 38.7397 174.7094 183 Y 5.3655 8.5480 125.3778 55.3767 41.7230 174.8913 184 T 4.8279 8.3114 111.3852 60.0740 71.0776 174.5941 185 G 3.7864 8.3124 109.7563 46.0785 0.0000 174.1818 186 V 3.9393 8.4031 122.7758 63.0576 31.6266 175.6265 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 I 8.02 4.13 2.12 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.42 0.00 0.00 3 P 0.00 4.12 0.00 2.43 2.04 0.00 3.58 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 2.14 2.15 0.00 4 D 9.39 5.53 0.00 2.77 2.68 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 5 D 7.98 4.88 0.00 2.68 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 6 E 8.42 4.42 0.00 1.50 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 2.43 2.31 0.00 7 F 7.85 4.83 0.00 3.03 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 8 I 9.05 3.91 1.98 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 1.31 0.54 0.94 0.00 0.00 9 K 8.53 4.59 0.00 1.73 1.72 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.63 7.81 10 N 8.48 4.80 0.00 2.76 2.68 0.00 0.00 6.96 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 11 P 0.00 4.51 0.00 2.22 2.16 0.00 3.79 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 1.99 1.96 0.00 12 S 7.79 4.53 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.35 3.87 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 0.83 0.00 0.00 1.10 0.00 0.00 14 P 0.00 4.43 0.00 2.24 2.14 0.00 3.71 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 2.05 1.95 0.00 15 G 8.51 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 16 P 0.00 4.25 0.00 1.42 1.00 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 17 T 8.00 3.88 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 1.16 0.00 0.00 18 A 8.29 4.42 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 *20 E 8.76 4.28 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 21 V 7.60 3.58 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 0.91 0.00 0.00 22 R 8.08 3.96 0.00 1.76 1.95 0.00 3.23 0.00 0.00 2.94 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 23 C 7.90 4.21 0.00 2.95 3.16 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 24 L 7.70 4.10 0.00 1.74 1.75 0.82 1.38 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 25 I 7.94 3.80 1.99 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 1.48 0.68 0.88 0.00 0.00 *27 C 8.02 4.49 0.00 3.06 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 28 L 8.05 3.94 0.00 1.58 1.42 0.41 0.23 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 29 A 8.35 3.96 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 30 E 8.16 3.75 0.00 2.09 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 2.26 2.51 0.00 31 P 0.00 4.30 0.00 2.03 2.00 0.00 3.61 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 2.02 2.08 0.00 32 G 8.71 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 0.00 0.00 0.00 0.00 33 K 8.60 4.20 0.00 1.76 1.89 0.00 1.76 0.00 0.00 2.36 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.43 7.81 34 N 8.02 4.91 0.00 2.69 2.81 0.00 0.00 6.94 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 35 D 8.02 5.00 0.00 2.79 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 36 V 9.01 4.90 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 1.16 0.00 0.00 1.00 0.00 0.00 37 A 9.30 5.50 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 38 V 8.70 4.85 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.03 0.00 0.00 39 D 9.30 5.15 0.00 2.77 2.61 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 40 V 8.85 3.80 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 0.96 0.00 0.00 0.93 0.00 0.00 41 G 8.59 3.52 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 0.00 42 C 8.29 4.68 0.00 3.12 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.04 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.00 3.97 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 1.37 0.00 0.00 45 G 8.64 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 46 G 8.19 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 0.00 0.00 0.00 47 V 7.58 3.75 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.88 0.00 0.00 48 T 7.83 3.89 4.38 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 1.22 0.00 0.00 49 L 8.36 4.06 0.00 2.05 1.80 1.10 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.54 4.02 0.00 2.01 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 2.63 2.51 0.00 51 L 8.12 4.11 0.00 1.86 1.71 0.93 0.49 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 52 A 8.30 4.10 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 53 G 7.51 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 54 R 8.34 4.53 0.00 1.83 1.91 0.00 3.07 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 55 V 7.43 4.61 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 0.76 0.00 0.00 1.01 0.00 0.00 56 R 8.60 4.11 0.00 2.07 2.13 0.00 3.22 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 57 R 7.80 4.76 0.00 1.84 1.66 0.00 2.58 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.00 58 V 8.58 4.84 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 1.00 0.00 0.00 0.90 0.00 0.00 59 Y 9.09 4.92 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.71 5.12 1.26 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 0.00 0.00 61 I 8.28 4.57 1.89 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 1.16 0.84 0.93 0.00 0.00 62 D 8.16 4.60 0.00 2.68 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 63 R 9.05 3.92 0.00 1.84 1.98 0.00 3.27 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 64 N 8.15 4.44 0.00 2.78 2.82 0.00 0.00 7.06 8.75 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 65 P 0.00 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0.00 0.00 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 L 8.13 4.00 0.00 1.94 1.86 0.93 0.72 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 76 Q 8.28 3.94 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.79 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 77 R 8.03 3.79 0.00 1.70 1.89 0.00 3.14 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.49 0.00 78 H 8.26 4.63 0.00 3.26 3.23 0.00 5.85 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 79 G 7.81 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 80 L 8.85 4.80 0.00 1.55 1.53 0.92 1.01 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 81 G 8.79 3.51 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 0.00 82 D 8.07 4.43 0.00 2.78 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 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4.14 0.00 2.02 2.28 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 93 E 8.11 4.02 0.00 2.03 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 2.37 0.00 94 A 7.70 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.47 3.94 0.00 1.88 1.70 0.91 0.92 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 96 C 7.94 4.28 0.00 3.15 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 97 K 7.62 4.23 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.59 7.81 98 I 6.31 3.90 0.63 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.30 0.61 0.00 0.00 99 P 0.00 4.52 0.00 2.20 2.13 0.00 3.03 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 100 D 8.45 4.82 0.00 2.63 2.69 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 0.00 109 S 8.44 4.53 0.00 4.06 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 0.00 110 G 9.39 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.73 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 0.00 0.00 0.00 112 E 8.07 4.65 0.00 2.02 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 2.23 2.20 0.00 113 L 8.25 3.89 0.00 1.74 1.67 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.09 3.93 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 115 E 8.11 3.90 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 116 I 7.98 3.72 2.01 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 1.52 0.64 0.90 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1.76 1.75 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.44 7.81 126 P 0.00 4.34 0.00 1.95 1.99 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 127 G 9.11 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 0.00 128 G 7.72 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 0.00 129 R 9.03 4.88 0.00 1.72 1.80 0.00 3.28 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 130 I 8.30 4.90 1.56 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.53 0.77 0.00 0.00 131 I 8.82 4.94 1.86 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 1.13 0.84 0.92 0.00 0.00 132 V 9.11 4.66 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 1.04 0.00 0.00 0.88 0.00 0.00 133 T 8.51 4.86 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 1.20 0.00 0.00 134 A 9.12 4.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.62 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.90 0.00 0.00 136 L 7.60 4.46 0.00 1.72 1.84 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.54 4.00 0.00 1.76 1.68 0.93 0.97 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 0.00 138 E 8.14 4.09 0.00 2.14 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 2.43 2.48 0.00 139 T 7.94 3.98 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 1.22 0.00 0.00 140 K 7.78 3.98 0.00 1.97 1.92 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.63 7.81 141 F 7.87 4.34 0.00 2.93 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.94 3.78 0.00 2.24 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 2.31 2.35 0.00 143 A 7.85 4.03 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 *145 E 8.06 3.99 0.00 1.47 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 2.27 2.18 0.00 146 C 8.21 4.03 0.00 3.09 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 0.00 147 L 8.31 4.19 0.00 1.70 1.69 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.87 3.96 0.00 1.99 1.96 0.00 3.11 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 149 D 8.12 4.37 0.00 2.79 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 0.00 150 L 7.74 4.47 0.00 1.91 1.78 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.13 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 0.00 152 F 7.81 4.70 0.00 3.08 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 0.00 153 D 8.72 4.68 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 4.68 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 0.73 0.00 0.00 0.99 0.00 0.00 155 N 8.52 4.99 0.00 1.44 2.17 0.00 0.00 6.33 8.04 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 0.00 156 I 8.06 5.14 1.83 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 1.37 1.05 0.91 0.00 0.00 157 T 9.11 4.72 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 1.25 0.00 0.00 158 E 8.99 5.04 0.00 1.95 1.84 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 2.20 2.37 0.00 159 L 8.65 4.69 0.00 1.64 1.55 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 160 N 8.84 5.06 0.00 2.57 2.74 0.00 0.00 6.98 7.45 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 0.00 161 I 8.31 4.61 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.91 0.00 0.00 162 A 8.51 5.16 1.17 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 0.00 163 R 9.13 4.61 0.00 1.61 1.82 0.00 3.17 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 164 G 8.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.16 4.51 0.00 1.79 1.71 0.00 3.18 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 166 A 8.57 4.61 1.26 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 0.00 0.00 167 L 9.25 4.20 0.00 1.54 1.29 0.92 1.28 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 0.00 168 D 9.04 4.61 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 R 7.96 4.27 0.00 1.98 2.11 0.00 3.19 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 170 G 8.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.84 5.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *174 V 8.05 3.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 175 S 8.70 5.15 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 R 8.44 4.70 0.00 1.77 1.85 0.00 3.17 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 177 N 8.56 4.44 0.00 2.70 2.76 0.00 0.00 6.98 8.02 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 0.00 178 P 0.00 4.67 0.00 2.34 2.26 0.00 3.71 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 1.99 1.97 0.00 179 V 8.38 4.53 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 0.94 0.00 0.00 0.98 0.00 0.00 180 A 8.93 5.30 1.25 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 0.00 0.00 181 L 9.13 5.07 0.00 1.61 1.65 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.87 4.93 1.85 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 1.26 0.52 0.83 0.00 0.00 183 Y 8.55 5.37 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 T 8.31 4.83 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 0.57 0.00 0.00 185 G 8.31 3.79 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 0.00 0.00 0.00 186 V 8.40 3.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.