NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2496 8.4331 121.7186 56.1614 30.8750 174.4076 3 G 3.9847 8.7675 112.8983 44.1129 0.0000 169.4630 4 R 5.1822 9.4866 119.7310 54.2528 33.1034 173.6819 5 L 4.9987 9.0326 127.0782 53.6242 44.0813 174.9767 6 L 4.8254 8.9565 127.8768 52.7726 43.6091 177.1190 7 L 4.9503 8.2339 128.3264 53.1994 39.5240 175.5604 8 L 4.4520 7.6440 117.8786 53.4188 43.5711 175.8360 9 E 4.9220 8.4511 124.3890 55.5382 33.8985 176.0643 10 T 4.6591 8.0134 114.2411 60.9400 69.6535 172.5067 11 P 4.5187 0.0000 0.0000 64.6610 31.9175 175.2896 12 G 4.1141 9.4875 108.0508 45.3963 0.0000 172.9577 13 N 4.8927 7.9722 117.3228 51.2369 39.1984 173.5129 14 T 3.9768 8.2304 120.5735 66.2647 69.3229 177.5725 15 R 4.2656 8.0580 117.2099 56.9582 29.6357 178.2001 *17 S 4.4423 8.1905 114.8998 58.3853 64.2251 175.8688 18 L 3.8475 7.8752 119.8793 57.4583 41.1355 179.2812 19 A 3.1165 7.1322 120.5323 54.8861 18.1164 179.2082 20 Y 4.1420 7.4282 114.6995 61.2717 38.0783 178.3636 21 D 4.2403 7.5954 119.7716 57.5529 40.9956 178.6792 22 E 3.9474 8.0888 119.3797 58.8981 29.4617 178.5690 23 A 3.9526 8.3505 121.6890 55.2682 18.3275 179.7144 24 I 3.7016 7.8131 110.2308 64.1060 37.3205 177.6205 25 Y 4.3511 7.9784 121.0504 60.8855 38.5260 177.9463 26 R 3.6402 8.3219 117.8516 58.9935 30.2037 178.6348 27 S 4.2216 8.2349 111.9887 59.3204 62.8286 174.2431 28 F 4.2829 7.4152 123.4330 58.3023 39.8754 174.0789 29 Q 4.6860 8.3373 126.1122 53.5113 31.5673 174.5443 30 Y 4.2726 8.6679 121.9862 59.7281 38.9823 176.5978 31 G 3.7564 8.4041 116.0733 45.3171 0.0000 173.2054 32 D 4.3853 7.0652 119.1046 53.4722 41.4130 175.7891 33 K 4.3007 8.1330 119.8374 55.7311 32.7739 175.9896 34 P 4.8475 0.0000 0.0000 63.0373 32.8912 175.1321 35 I 5.2292 9.1392 123.1586 59.5313 40.8509 174.3702 36 L 4.8527 9.1326 128.1028 53.2694 44.7616 174.8263 37 R 5.1270 8.9640 127.3553 54.5172 32.1317 174.2908 38 F 5.4354 8.8246 124.2896 56.0956 42.3041 174.0134 39 Y 5.2391 8.6299 119.9189 56.6688 41.7172 173.2192 40 R 4.8699 8.5421 117.0993 54.8787 34.2968 174.6743 41 H 5.0196 8.6102 117.9270 54.0571 31.7386 173.5549 42 D 4.5897 8.6346 122.1984 52.9681 42.3284 175.4669 43 R 3.7855 7.6792 119.6904 55.3539 29.4240 175.8119 44 S 4.6580 8.1015 116.4041 57.7195 67.0894 174.6254 45 V 4.8953 8.1533 120.1206 61.2280 34.3329 173.8718 46 I 5.1263 8.7165 129.1291 59.6267 39.3911 174.8542 47 I 4.7693 8.6284 121.1908 58.9369 40.4860 175.6729 48 G 4.1807 9.1180 111.1709 45.6131 0.0000 174.0164 49 Y 3.8962 8.6191 122.1537 60.6759 38.6052 177.5849 50 F 4.2901 8.0271 114.4588 57.5504 38.9508 175.0729 51 Q 4.5540 7.5891 120.1340 54.1272 30.8674 175.0256 52 V 4.1748 7.7707 117.9410 60.7546 34.0165 175.7713 53 A 3.9246 8.8146 130.3310 55.7310 18.1502 178.7082 54 E 4.2498 8.0666 111.6669 57.7693 29.8226 177.1993 55 E 4.4267 8.3017 118.0775 56.8138 30.4697 176.7172 56 E 4.4130 8.0581 117.0947 56.7810 30.9142 175.7488 57 V 4.3583 7.6035 109.8146 59.5466 35.1576 175.2345 58 D 4.7199 8.2189 120.7451 52.3238 39.9511 176.2526 59 L 3.8043 8.4074 126.0074 57.6227 42.4913 179.0439 60 D 4.4681 8.0358 118.3513 57.6674 41.1620 178.4898 61 Y 4.1379 9.3551 117.1896 58.4370 37.8873 177.2281 *63 K 4.2474 8.0694 121.5407 55.9475 33.8867 177.9314 64 K 4.0538 7.8283 116.7789 58.6200 32.0488 177.4078 65 N 4.5007 7.7246 113.6693 52.0684 39.0711 174.7545 66 G 3.8682 7.3079 105.0289 47.0255 0.0000 172.7967 67 I 4.6447 7.2463 120.1582 59.2044 40.2176 174.5452 *69 L 4.3970 8.2536 121.7865 55.8921 42.7285 177.1249 70 A 5.1146 8.9676 126.3255 50.4700 23.2282 174.4480 71 R 5.0320 8.9591 120.3716 54.5245 32.2568 175.7597 72 R 4.9294 8.6873 123.0545 55.0691 31.2313 176.0447 73 Y 4.5724 9.0923 120.6117 60.5709 39.3177 176.2013 74 T 4.1876 7.9561 109.1818 60.6159 70.1972 175.4966 75 G 4.3212 8.2534 111.6080 44.8711 0.0000 171.6117 76 G 3.7270 9.0080 104.7527 44.1766 0.0000 172.3083 77 G 4.1474 8.0941 105.7613 45.0372 0.0000 173.0762 78 A 4.9226 8.3973 121.0216 51.4838 19.8466 177.6493 79 V 4.6086 8.6598 113.0007 59.8882 36.6214 173.6734 80 Y 5.1197 8.7058 123.9008 56.6052 40.3801 174.4257 81 H 5.2624 8.8612 122.8641 53.2305 33.2186 172.2061 82 D 4.9523 7.9711 118.9981 52.3130 42.6987 175.6308 83 L 4.1050 8.7263 117.5020 56.5666 41.6351 178.3723 84 G 3.5193 9.3338 108.7791 46.0665 0.0000 172.7606 85 D 4.9732 7.9987 121.3043 52.5594 43.1408 175.2479 86 L 4.5644 8.4541 125.0901 53.7492 43.2129 175.1248 87 N 5.0038 8.5425 124.6176 52.0443 41.0112 174.3086 88 F 5.2328 7.9347 115.4902 55.8337 41.6447 173.1952 89 S 5.1058 9.2621 115.4893 56.6275 66.8788 172.7993 90 V 4.9928 9.5062 121.4501 61.2263 34.8284 174.2634 91 V 4.9118 8.8930 127.1817 61.2689 34.4112 174.4816 92 R 4.8272 8.2373 124.6853 54.3193 35.2282 174.5890 93 S 5.0246 8.7643 116.5239 59.0333 63.5413 173.9663 94 S 4.8792 8.8850 117.4567 56.9097 64.8388 173.4909 95 D 5.0990 9.1051 124.4000 54.4324 43.0350 175.3368 96 D 4.4509 7.2734 121.0109 52.8991 41.8406 178.3940 *98 D 4.3942 8.7048 117.3599 53.7064 40.6990 174.3263 99 I 3.9814 8.3955 125.7160 64.5602 37.8378 177.8928 100 T 4.1744 8.2699 116.5259 67.0015 68.4690 177.0854 101 S 4.3559 8.6848 114.5914 58.5831 61.6514 175.7330 *103 F 4.5575 8.1294 119.0342 57.0316 40.9226 176.6497 104 R 4.0566 8.2873 120.5844 59.8373 30.2254 179.2294 105 T 3.6672 7.9600 111.6447 64.3058 67.8391 175.8109 *107 N 4.7193 8.2001 121.6896 53.3540 40.8471 176.5274 108 E 3.8602 8.0667 118.3067 59.0943 29.6087 178.7387 109 A 3.7148 7.4063 121.9880 54.2867 18.1346 179.8291 110 V 3.6880 7.3191 116.2341 66.1569 31.7996 178.0809 111 V 3.5800 8.1359 118.4040 66.2998 31.1041 177.6954 112 N 4.3338 7.8931 114.7020 56.3191 38.5845 177.3411 113 S 4.3095 8.0236 116.4810 61.7975 63.0599 176.8770 114 L 4.0696 8.2004 121.6551 57.6081 41.2505 179.5019 115 R 3.9159 8.1676 118.9192 59.3797 29.7042 178.4874 116 I 3.6629 7.4071 118.5304 64.2500 37.1836 176.7240 117 L 4.3043 7.8147 116.8777 54.4810 41.5981 177.1095 118 G 3.7863 8.2349 106.7409 45.6714 0.0000 173.2105 119 L 4.3638 7.7192 121.4943 52.6552 42.8201 175.5266 120 D 4.4193 8.5325 126.5558 53.6591 41.3403 174.7476 121 A 4.9835 8.1474 127.2599 50.3928 22.6518 174.3697 122 R 4.6478 8.0741 113.3068 54.6168 32.0225 173.3710 123 P 4.7139 0.0000 0.0000 62.1652 32.5182 176.4938 124 G 3.8946 8.8586 111.8789 45.6184 0.0000 173.7056 125 E 4.5469 8.7312 115.1102 55.6722 31.3105 176.1490 126 L 4.6461 8.0189 120.4700 53.4441 43.4974 175.5805 127 N 5.0310 8.2556 120.0835 51.4036 37.4124 172.8474 128 D 4.4074 7.6918 119.5568 52.5747 42.3896 176.0034 129 V 3.6768 8.2866 127.3038 63.8606 31.5661 177.7607 130 S 4.3273 7.9710 114.8504 60.0051 63.4749 174.8811 131 I 4.0402 7.1873 114.8013 59.4887 38.1657 174.3328 132 P 4.3602 0.0000 0.0000 65.5785 31.3146 176.2700 133 V 4.5441 6.9692 109.1027 60.3570 35.8182 173.4683 134 N 4.2553 8.6643 114.9333 54.8084 36.9846 173.6408 135 K 4.8159 8.3827 115.3679 54.4295 33.4407 178.3105 136 K 4.4101 8.6854 120.3562 58.4757 31.1838 178.3798 137 T 4.1826 7.6414 108.0175 62.3123 69.7101 174.0315 138 D 5.0232 8.0791 123.2979 53.5877 43.3902 175.2800 139 I 4.7924 8.0865 119.8779 59.5154 41.8432 174.6786 *141 A 4.1864 8.4135 123.4410 52.1449 19.3115 178.8784 142 G 3.9477 8.8678 114.9664 47.3546 0.0000 172.3776 143 E 4.6011 9.2993 121.0967 55.5376 30.1861 174.8985 144 K 4.8815 7.7136 118.5286 54.4918 34.2817 175.9048 145 K 4.4939 9.1516 126.9358 55.6222 33.4586 176.7794 146 I 5.1731 7.8138 119.9601 59.9177 38.6812 175.3162 *148 G 3.9058 8.0549 108.7986 47.0811 0.0000 171.8411 149 A 4.9518 7.9798 120.9874 50.8497 22.9770 174.9553 150 A 4.7771 8.2447 119.8960 51.4514 23.4565 175.1375 151 G 4.2213 8.5952 104.7640 46.3537 0.0000 171.6118 152 A 4.7609 8.5332 120.8859 50.8438 23.2129 175.4490 *154 R 4.3014 8.3939 113.0564 55.4581 30.5091 174.7149 155 K 4.0384 8.4726 119.4813 58.2896 32.5211 176.2700 156 G 4.2183 10.7695 114.6330 45.3662 0.0000 172.0685 157 A 5.3761 7.6763 118.9472 50.9645 23.0025 175.6602 158 K 4.9829 8.9237 117.3972 55.4739 36.5091 174.8905 159 L 5.0725 9.0137 124.6554 53.0415 45.0206 174.8679 160 W 5.4617 8.9843 135.0000 55.9749 34.3692 173.2984 161 H 4.8561 8.1966 121.1348 53.7996 31.9224 172.0401 162 A 4.6182 8.0227 120.8795 50.1496 23.0441 174.2716 163 A 4.7390 8.0804 119.9228 50.0133 23.1735 175.7487 *165 L 4.1600 8.2041 116.5742 55.6542 42.8291 177.7878 166 V 4.0939 8.4560 123.7028 63.7330 33.1518 177.7403 167 H 5.5577 7.8726 114.8612 54.4862 27.3325 173.2441 168 T 4.3934 7.5044 112.6775 62.4703 68.2526 174.0555 169 D 4.6548 8.9550 126.1260 53.2930 39.9300 175.9305 170 L 4.1666 8.3754 126.9878 57.6550 42.1194 179.4590 171 D 4.2607 7.8913 114.5148 55.2752 40.3022 177.6378 *173 L 3.8510 8.0091 122.6742 55.2046 43.6064 179.2111 174 S 4.0689 7.8441 112.7392 61.3250 62.8801 175.7945 175 A 3.9335 8.0731 122.8676 54.4075 18.3443 178.6450 176 V 3.6636 7.4623 114.5341 64.8132 32.0573 175.9558 177 L 4.2376 7.3440 120.3755 53.8342 41.1735 177.8496 178 K 4.0476 7.8542 124.3028 56.1023 29.6088 177.0295 *191 S 4.4205 7.7286 116.3063 58.2795 64.8713 175.8663 192 T 3.8472 7.7624 115.6600 66.8359 67.9776 176.5398 193 R 3.9120 8.0008 119.8866 59.2846 29.8625 177.2813 194 E 4.4119 7.8431 115.5126 56.8844 29.8331 176.7598 195 R 4.6350 8.2103 119.5295 56.0736 31.5513 175.2138 196 V 5.2268 7.5778 108.4778 60.7063 35.2969 174.3211 197 A 4.6726 8.9624 122.3317 51.4175 23.1691 175.1143 198 N 4.9794 9.3032 116.9716 51.7584 40.6401 177.1350 199 V 3.8326 8.9106 122.3291 66.4047 31.7682 178.0147 200 T 5.0694 7.6228 106.4270 62.6027 68.6650 174.9249 201 D 4.3588 8.0689 122.3660 56.1913 41.2972 177.0213 202 F 4.7084 8.0851 115.8918 58.3843 40.6968 176.3531 203 V 4.4561 8.0229 113.2798 59.4403 34.4598 175.0509 204 D 5.0849 8.6305 124.5050 53.4120 39.4926 175.1638 205 V 4.6812 7.6740 116.3079 58.3750 35.7612 176.3112 206 S 4.5974 8.8743 118.2503 57.3453 65.6660 175.6052 207 I 3.6650 8.0985 121.9913 64.7428 36.7278 178.4605 208 D 4.3057 7.9924 119.1328 57.2447 40.6390 178.5743 209 E 3.9157 7.9590 119.1519 59.2611 29.4329 179.5277 210 V 3.5292 7.7154 118.3756 65.7373 31.4954 177.9846 211 R 3.2380 8.0951 118.8513 59.4850 29.8631 178.3446 212 N 4.1657 8.2799 116.1934 56.0382 38.4218 177.3779 213 A 4.0011 7.8960 122.4238 55.0832 18.4009 179.7033 214 L 4.1833 8.0218 117.5994 57.8322 41.6037 179.7339 215 I 3.7579 8.0059 120.1477 64.4534 37.0251 178.6777 216 R 4.0821 8.0854 118.8779 59.2209 29.9005 179.2417 217 G 4.2822 8.5124 107.1714 47.4894 0.0000 175.7308 218 F 3.9787 8.9024 120.8746 60.1307 38.9693 177.9717 219 S 4.8765 8.5134 116.2154 61.3393 62.4839 176.7518 220 E 4.0333 8.4331 120.2025 59.7633 29.2134 178.7866 221 T 3.9202 8.2853 116.1008 66.3497 68.6366 176.4830 222 L 4.1913 8.3711 119.1189 54.9514 42.2543 176.1456 223 H 4.2142 8.0695 114.6318 57.3523 26.6061 174.6202 224 I 4.2610 7.4784 118.4566 59.5915 40.7249 175.5869 225 D 4.5725 8.2866 126.7227 52.8522 40.6138 173.1294 226 F 4.6633 8.3460 121.2463 57.1354 39.6524 174.6133 227 R 4.7480 8.9313 123.9725 53.7312 32.8518 175.4997 228 E 4.4054 8.9130 123.9857 57.5219 30.1011 175.3339 229 D 4.8984 9.1109 125.7631 53.5424 44.8805 173.6215 230 T 4.6968 8.2168 107.8106 59.1475 71.7495 173.4226 231 I 3.8879 8.0303 122.4820 61.1971 38.8460 176.2702 232 T 4.3856 9.0420 117.4025 60.9252 71.3025 175.8844 233 E 4.0502 8.6052 121.3459 59.3690 29.4565 179.5760 234 K 3.9065 7.9666 119.1450 59.6296 32.3641 178.6028 235 E 3.9790 8.3630 118.9275 59.3321 29.4115 178.8976 236 E 4.0758 8.7326 119.7438 59.4737 29.6998 179.0742 237 S 4.1281 8.5485 115.5624 61.5561 62.8324 176.4301 238 L 3.9331 8.0052 122.8132 58.0058 41.7343 178.8719 239 A 3.8970 8.1908 120.7873 55.2458 18.2293 179.8699 240 R 3.8304 8.0271 116.5855 59.2198 30.0319 178.9472 241 E 3.9189 8.3395 119.1788 59.3399 29.7045 178.9051 242 L 3.9386 8.2659 119.4320 57.5792 41.5435 179.2860 243 F 4.1647 8.4548 120.7393 61.4276 39.2127 176.6952 244 D 4.2106 8.2440 117.5736 57.3177 40.8414 178.6819 245 K 4.2585 7.9959 116.0700 57.4298 32.6543 176.4778 246 K 4.1780 7.5022 118.6371 57.4883 34.4752 177.2886 247 Y 3.8087 7.8413 118.2131 60.7974 38.0481 178.0545 248 S 4.1120 7.5879 112.3705 58.7900 63.6821 174.3150 249 T 4.4008 7.6107 112.6914 60.6108 70.1147 175.8442 250 E 4.0204 8.7174 122.9996 59.4014 30.0105 178.2223 251 E 4.0410 8.3412 116.5669 59.1874 29.7072 179.0286 252 W 4.0018 7.8865 127.7849 60.4111 30.8187 179.8150 253 N 4.3864 7.7347 116.0864 52.9880 36.8611 176.1088 *255 G 3.4965 8.0868 103.9369 45.0851 0.0000 174.0407 256 L 4.1846 7.9877 123.5673 56.1610 42.9394 176.2683 257 L 4.1478 7.7974 123.3320 55.5155 41.9012 176.2883 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 8.43 4.25 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 3 G 8.77 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 4 R 9.49 5.18 0.00 1.84 1.92 0.00 3.34 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 5 L 9.03 5.00 0.00 1.91 1.76 1.16 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.96 4.83 0.00 1.58 1.51 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.23 4.95 0.00 1.53 1.65 0.96 1.05 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 8 L 7.64 4.45 0.00 1.42 1.34 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.45 4.92 0.00 1.96 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 2.39 2.40 0.00 10 T 8.01 4.66 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 P 0.00 4.52 0.00 2.20 2.11 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 12 G 9.49 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.97 4.89 0.00 2.55 2.60 0.00 0.00 7.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.23 3.98 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 1.02 0.00 0.00 15 R 8.06 4.27 0.00 2.34 2.38 0.00 3.30 0.00 0.00 3.63 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 *17 S 8.19 4.44 0.00 3.98 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 18 L 7.88 3.85 0.00 1.56 1.55 1.15 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.13 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.43 4.14 0.00 3.02 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 21 D 7.60 4.24 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.09 3.95 0.00 2.05 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 2.13 1.82 0.00 23 A 8.35 3.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.70 1.95 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 1.75 0.72 0.97 0.00 0.00 25 Y 7.98 4.35 0.00 3.00 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 26 R 8.32 3.64 0.00 1.77 1.86 0.00 3.08 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 27 S 8.23 4.22 0.00 3.91 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 28 F 7.42 4.28 0.00 3.33 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 29 Q 8.34 4.69 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 30 Y 8.67 4.27 0.00 2.97 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 31 G 8.40 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 112 N 7.89 4.33 0.00 2.83 2.84 0.00 0.00 7.13 7.33 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 0.00 113 S 8.02 4.31 0.00 4.14 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 0.00 114 L 8.20 4.07 0.00 1.69 1.82 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.17 3.92 0.00 2.01 2.07 0.00 3.10 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 116 I 7.41 3.66 2.06 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 1.60 0.93 0.91 0.00 0.00 117 L 7.81 4.30 0.00 1.75 1.70 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.23 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 0.00 119 L 7.72 4.36 0.00 1.59 1.66 0.88 0.75 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 7.69 4.41 0.00 2.59 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 3.68 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 0.92 0.00 0.00 130 S 7.97 4.33 0.00 4.02 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 0.00 131 I 7.19 4.04 1.86 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 1.59 0.58 0.94 0.00 0.00 132 P 0.00 4.36 0.00 2.20 2.22 0.00 3.72 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 1.99 1.99 0.00 133 V 6.97 4.54 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 0.73 0.00 0.00 0.94 0.00 0.00 134 N 8.66 4.26 0.00 2.97 2.87 0.00 0.00 6.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.38 4.82 0.00 1.90 1.62 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 136 K 8.69 4.41 0.00 1.67 1.86 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.32 7.81 137 T 7.64 4.18 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 138 D 8.08 5.02 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.09 4.79 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 1.45 1.48 0.97 0.00 0.00 *141 A 8.41 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 9.30 4.60 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 144 K 7.71 4.88 0.00 1.83 1.82 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.67 7.81 145 K 9.15 4.49 0.00 1.84 1.71 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.42 7.81 146 I 7.81 5.17 1.97 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 1.28 1.51 1.13 0.00 0.00 *148 G 8.05 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 0.00 149 A 7.98 4.95 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 0.00 150 A 8.24 4.78 1.16 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 0.00 0.00 151 G 8.60 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 0.00 152 A 8.53 4.76 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 *154 R 8.39 4.30 0.00 2.10 2.29 0.00 2.88 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 155 K 8.47 4.04 0.00 1.75 1.80 0.00 1.75 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *165 L 8.20 4.16 0.00 1.85 1.75 1.04 1.10 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 0.00 166 V 8.46 4.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 167 H 7.87 5.56 0.00 3.10 3.31 0.00 5.80 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 7.50 4.39 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 169 D 8.96 4.65 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.38 4.17 0.00 1.76 1.73 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 171 D 7.89 4.26 0.00 2.97 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 *173 L 8.01 3.85 0.00 1.95 1.85 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 174 S 7.84 4.07 0.00 3.99 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 0.00 175 A 8.07 3.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.46 3.66 1.99 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 1.03 0.00 0.00 0.95 0.00 0.00 177 L 7.34 4.24 0.00 1.64 1.62 1.01 0.98 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 0.00 178 K 7.85 4.05 0.00 1.99 1.76 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.34 7.81 *191 S 7.73 4.42 0.00 3.87 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 0.00 192 T 7.76 3.85 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 1.21 0.00 0.00 193 R 8.00 3.91 0.00 1.90 1.92 0.00 3.22 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 194 E 7.84 4.41 0.00 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0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 211 R 8.10 3.24 0.00 1.43 1.71 0.00 2.58 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 212 N 8.28 4.17 0.00 2.67 2.79 0.00 0.00 6.99 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 0.00 213 A 7.90 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 0.00 214 L 8.02 4.18 0.00 1.79 1.58 0.39 0.78 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 0.00 215 I 8.01 3.76 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.65 1.00 0.00 0.00 216 R 8.09 4.08 0.00 2.15 2.02 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 217 G 8.51 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 F 8.90 3.98 0.00 3.23 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 S 8.51 4.88 0.00 4.20 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 0.00 220 E 8.43 4.03 0.00 2.02 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 2.38 2.46 0.00 221 T 8.29 3.92 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 1.02 0.00 0.00 222 L 8.37 4.19 0.00 1.78 1.76 1.21 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 223 H 8.07 4.21 0.00 3.30 3.36 0.00 5.61 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 0.00 224 I 7.48 4.26 1.28 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.29 -0.39 0.00 0.00 225 D 8.29 4.57 0.00 2.74 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 0.00 226 F 8.35 4.66 0.00 3.23 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 0.00 227 R 8.93 4.75 0.00 1.76 1.84 0.00 3.15 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 1.57 1.77 0.00 228 E 8.91 4.41 0.00 2.00 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 2.32 2.36 0.00 229 D 9.11 4.90 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 T 8.22 4.70 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 0.00 231 I 8.03 3.89 1.72 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 0.72 0.85 0.00 0.00 232 T 9.04 4.39 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 1.25 0.00 0.00 233 E 8.61 4.05 0.00 2.03 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 0.00 2.40 2.37 0.00 234 K 7.97 3.91 0.00 1.81 1.80 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.53 7.81 235 E 8.36 3.98 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 2.36 2.33 0.00 236 E 8.73 4.08 0.00 2.13 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 0.00 2.35 2.45 0.00 237 S 8.55 4.13 0.00 4.04 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 0.00 238 L 8.01 3.93 0.00 1.77 1.84 0.89 1.27 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 0.00 239 A 8.19 3.90 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 0.00 240 R 8.03 3.83 0.00 2.00 2.00 0.00 3.11 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 241 E 8.34 3.92 0.00 2.15 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 2.29 2.37 0.00 242 L 8.27 3.94 0.00 1.88 1.86 0.90 0.86 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 0.00 243 F 8.45 4.16 0.00 3.06 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 0.00 244 D 8.24 4.21 0.00 2.85 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 0.00 245 K 8.00 4.26 0.00 1.63 1.78 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.63 7.81 246 K 7.50 4.18 0.00 1.34 1.21 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.86 7.81 247 Y 7.84 3.81 0.00 2.98 3.18 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 0.00 248 S 7.59 4.11 0.00 3.34 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 T 7.61 4.40 4.40 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 1.19 0.00 0.00 250 E 8.72 4.02 0.00 1.96 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 0.00 2.31 2.36 0.00 251 E 8.34 4.04 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 252 W 7.89 4.00 0.00 3.32 3.31 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 0.00 253 N 7.73 4.39 0.00 2.76 2.86 0.00 0.00 7.08 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *255 G 8.09 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 256 L 7.99 4.18 0.00 1.53 1.76 0.90 1.13 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 0.00 257 L 7.80 4.15 0.00 1.72 1.73 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.