NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3045 8.2649 123.5842 52.3758 20.9597 177.7814 2 T 4.1296 7.5405 111.6442 62.2911 70.8382 174.3633 3 L 4.0416 8.5334 123.1125 57.8651 41.9869 179.5513 4 K 4.0010 8.0161 119.2981 59.4591 32.1954 178.5671 5 D 4.3718 7.9416 118.8324 57.4056 40.8662 178.6348 6 I 3.8082 7.8892 120.3680 64.7042 37.1330 178.6145 7 T 3.8997 8.3450 116.8347 66.6035 68.3457 177.0045 8 R 3.9172 7.8800 119.6155 59.3860 30.1637 179.2765 9 R 3.9522 8.1052 117.8384 59.3147 30.1442 179.1714 10 L 3.9974 8.4049 119.1750 57.6653 41.6161 179.6625 11 K 3.9729 8.2117 118.7770 59.3214 31.9796 179.6036 12 S 4.1427 7.9884 114.2310 61.7033 63.2209 176.6825 13 I 3.8589 7.7663 123.5140 63.2548 36.5363 178.5906 14 K 4.0151 7.9115 119.4995 59.2217 31.7227 179.1163 15 N 4.3478 7.7609 116.0756 56.5320 38.5946 177.2533 16 I 3.6557 7.7325 121.1422 64.7932 37.0570 178.1879 17 Q 3.9761 8.0846 120.0304 59.1464 28.9932 178.4759 18 K 4.0516 7.7617 119.4192 59.1373 32.0681 179.5659 19 I 3.7035 8.1047 120.8069 64.6947 36.6365 178.6621 20 T 4.0893 8.0108 110.4441 64.5456 68.3141 176.2652 21 K 4.0384 7.9329 122.9081 59.1294 32.2378 178.9543 22 S 4.1776 7.9734 114.5002 61.5220 62.9835 176.4431 23 M 4.0833 8.5923 122.8280 57.8873 31.7746 178.3908 24 K 3.8708 8.1113 119.9341 59.9121 32.3123 178.7813 25 M 4.0882 7.7604 119.0021 58.2080 31.7511 178.8747 26 V 3.5599 7.9170 118.1721 66.0745 31.6870 177.9328 27 A 4.3601 8.6516 121.1210 53.7198 18.2823 179.4189 28 A 4.0562 7.8691 119.5783 55.1479 18.6231 179.6839 29 A 4.0227 7.9284 118.8943 55.1750 18.3182 180.0442 30 K 4.0890 7.9745 117.1892 59.2900 32.0826 179.1514 31 Y 4.0514 7.8869 120.0697 60.7106 38.6758 177.5239 32 A 3.5016 7.7843 121.1639 55.0599 18.3352 179.9071 33 R 3.7828 7.5444 115.0131 59.1998 30.0169 178.7043 34 A 4.0575 7.3075 118.5402 53.6807 18.2804 178.6245 35 E 3.6901 7.5553 118.2423 58.7069 29.6602 178.5169 36 R 4.0134 7.2849 116.7095 58.4419 30.2558 177.8492 37 E 4.1359 7.6375 117.2238 57.5463 30.1052 177.8432 38 L 4.0606 7.2820 119.5229 58.2510 41.8847 178.4972 39 K 3.9579 8.0596 118.2718 59.2023 31.0391 177.3524 40 P 4.3749 0.0000 0.0000 64.9908 31.1035 177.1204 41 A 4.5611 7.5592 119.5180 52.4604 19.1782 178.2978 42 R 4.5926 7.8846 117.2801 59.1156 30.4226 179.3514 43 V 3.6257 7.7345 118.2292 64.8497 31.4021 177.4463 44 Y 3.8623 7.7639 117.4082 60.2654 38.3652 177.8982 45 G 3.0720 7.9896 105.9794 46.7687 0.0000 175.0408 46 V 3.5795 6.9880 120.4330 65.6653 31.6014 176.8520 47 G 3.7635 7.2934 105.7127 45.8740 0.0000 174.1472 *72 S 4.3748 8.5684 113.4307 56.9250 63.7681 175.1694 73 S 4.5438 8.2819 115.2777 57.9470 65.8802 177.4675 74 D 4.2971 8.6058 119.7884 56.7598 40.8261 177.6430 75 R 4.1776 7.4130 119.6849 55.7075 31.1208 176.1877 76 G 4.0915 8.4568 118.4128 45.0486 0.0000 173.3444 77 L 3.7305 8.6857 115.6002 56.1151 39.6958 174.0026 78 C 4.8207 7.3606 107.7592 57.5466 30.6123 173.8831 79 G 3.8415 8.0284 109.2775 47.8430 0.0000 174.1705 80 A 4.6143 7.9855 126.5415 52.4862 19.4165 179.4353 81 I 3.5900 7.2626 120.5910 66.8116 36.7336 178.0825 82 H 4.4006 7.8588 116.2246 58.8859 28.7385 178.0441 83 S 4.1851 8.0553 115.7468 61.2870 62.5050 176.3653 84 S 4.0881 8.2724 116.8613 61.4062 62.1892 176.6135 85 V 3.7411 7.5572 113.8202 64.1662 31.0385 178.4686 86 A 4.0641 7.6116 119.7444 54.7981 18.2338 179.2837 87 K 4.0421 7.8782 117.7940 59.6491 32.3382 178.6047 88 Q 4.0882 7.5936 118.0400 59.6221 29.3192 176.4735 89 M 4.2937 7.6897 117.9767 53.6266 35.5671 174.4894 *106 I 3.9236 7.7477 118.7621 61.2324 38.3314 175.4128 107 G 4.2358 8.5433 113.2289 43.4505 0.0000 172.0471 108 V 4.1676 8.3653 120.4130 60.6054 33.4356 176.2444 109 G 3.8801 8.8102 111.7005 46.1800 0.0000 173.5051 110 D 4.5053 9.0850 122.1257 55.7113 41.5153 177.7225 111 K 4.1418 7.7022 120.4929 57.9971 31.9888 178.4041 112 I 3.9737 7.3938 119.4066 64.5125 37.3644 177.9094 113 R 4.0856 7.8699 115.7480 59.0338 29.2454 178.4001 114 S 4.3145 7.9902 114.5353 60.1304 63.0644 175.7476 115 I 4.0655 7.1134 120.6353 61.1125 38.0880 175.3147 *129 K 4.1765 7.2517 119.2757 56.4625 32.8744 174.2293 130 E 4.4024 8.9768 119.1013 56.7733 28.7790 174.0562 131 V 4.3232 7.4085 115.1620 60.5936 33.4915 174.9214 132 G 4.0643 9.0330 109.9069 46.3349 0.0000 175.0073 133 R 4.0419 7.9242 117.2866 58.6729 30.2098 176.6902 134 R 4.6544 7.5115 114.6337 53.1493 32.6326 174.2492 135 P 4.2090 0.0000 0.0000 62.0271 31.7724 174.6022 136 P 4.2327 0.0000 0.0000 63.4889 31.4061 175.8468 137 T 4.7439 7.9764 118.0483 61.4382 71.0293 175.1331 138 F 3.8877 8.7542 123.7383 61.0193 39.5053 176.5249 139 G 3.8835 8.2356 108.8310 48.2437 0.0000 174.0516 140 D 4.6650 7.2669 126.6675 54.1198 40.2765 176.5267 *161 I 4.0488 8.1909 126.3503 62.2242 38.1387 174.6774 162 F 4.8798 8.2640 118.5942 55.4861 40.7682 173.2331 163 N 4.8093 8.5652 118.8660 51.9105 39.4489 174.9185 164 R 4.2870 8.7299 126.5768 55.2157 31.3852 175.3555 165 F 4.4521 9.1762 130.2495 59.0168 39.3854 173.9918 166 R 4.1641 8.4032 124.8381 57.0109 31.5130 176.6961 167 S 4.1073 7.1634 109.1053 56.8378 66.0453 174.8104 168 V 3.7190 8.4632 112.4176 64.1530 31.2479 177.3698 169 I 4.1976 7.5370 118.3416 61.7659 38.4259 175.0939 170 S 4.7540 7.5144 112.8232 56.9657 66.1801 172.0875 171 Y 5.1563 7.6077 119.7121 55.9640 40.6726 173.3893 172 K 4.5724 8.9118 121.4062 54.9292 35.5926 174.7753 173 T 4.5343 8.3335 123.1554 62.7415 68.7135 174.5613 *206 E 4.3940 8.8197 125.3042 56.2496 31.9557 177.1176 207 Y 4.1947 7.8905 118.3434 59.5784 38.9293 177.2649 208 S 4.2448 8.0875 114.3867 60.4364 63.3440 176.1082 209 L 3.8587 7.8295 124.0898 58.1235 42.0938 178.3759 210 A 3.9590 7.4869 119.9710 54.6345 18.0923 179.3379 211 N 4.3499 7.8428 115.3832 56.4498 38.5609 177.5893 212 I 3.8434 7.3081 121.0661 64.0863 37.1590 178.2926 213 I 3.5835 7.5296 120.5934 64.6736 36.8991 177.8550 214 Y 3.9117 7.5966 119.6531 60.6437 38.5794 177.2586 215 Y 4.0196 7.8413 120.8875 60.7566 38.9680 178.2509 216 S 2.7900 7.6455 115.0692 60.6889 62.8471 176.2886 217 L 3.8018 7.3466 123.6740 57.8873 41.5995 179.0836 218 K 3.7810 7.7909 118.6821 59.2462 31.9364 179.2535 219 E 3.9576 7.8297 119.1063 59.0372 29.2168 179.2578 220 S 4.0643 7.9154 113.5099 61.6675 62.5958 176.3204 221 T 3.9522 7.6581 111.4570 64.4984 68.1122 176.7578 222 T 3.8767 7.3412 119.1927 66.5542 68.5130 176.8128 223 S 4.1547 7.9575 116.8794 61.0806 62.8185 176.3917 224 E 3.7487 8.3567 122.4465 59.4591 29.3628 178.9476 225 Q 4.1567 8.0820 117.5430 58.3580 28.5985 178.9607 226 S 3.8804 7.6547 116.3425 61.4017 63.0476 176.4072 227 A 4.0043 7.7860 123.0203 55.0511 18.0631 179.6969 228 R 4.1121 8.4292 117.8521 59.5616 30.1530 178.3845 229 M 4.0075 7.7802 118.3597 58.7938 32.1146 178.4809 230 T 3.8156 8.1621 115.8165 66.5142 68.6439 176.5942 231 A 3.9904 8.3452 123.0093 55.7294 18.4648 179.6998 232 M 4.0121 8.2616 117.0119 58.1697 31.9977 178.5890 233 D 4.2851 7.9701 118.4498 57.5257 41.4294 178.1287 234 N 4.3678 8.5343 117.1447 56.1666 38.5354 177.3909 235 A 3.9961 8.3079 122.5756 55.0925 18.5751 179.6701 236 S 4.1731 7.9844 113.0280 60.7766 62.5624 176.5869 237 K 4.0329 8.0618 121.3076 59.2889 31.7445 179.1089 238 N 4.3109 8.3735 116.6570 56.2795 38.5211 177.1987 239 A 3.9653 8.0451 122.1105 55.3489 18.4617 179.6430 240 S 4.0680 7.9856 111.1438 61.4354 62.3638 176.3491 241 E 3.9484 8.1226 121.0520 59.6513 29.3158 178.9428 242 M 4.0263 8.2944 118.2796 58.4317 32.0604 178.5069 243 I 3.7103 7.8374 120.1543 64.5205 37.5188 177.9956 244 D 4.3437 7.8770 119.2716 57.1666 40.5989 178.9417 245 K 3.9605 8.2709 120.2129 59.6252 32.2269 179.0549 246 L 4.1349 8.0481 119.0742 57.8019 41.4645 179.6867 247 T 3.9252 8.2529 116.4524 66.5552 68.3940 176.7594 248 L 4.0814 7.9225 120.6504 57.9659 41.5328 179.6750 249 T 3.8759 8.0157 115.7518 66.6053 68.4338 176.2545 250 F 4.0255 8.4817 122.6974 61.6618 39.4052 176.9581 251 N 4.5463 8.5428 115.7934 55.9162 38.3559 177.8161 252 R 3.8973 8.0881 119.7263 59.6272 30.1858 179.1785 253 T 3.7862 8.0618 115.7808 66.3307 68.4698 176.4950 254 R 3.5926 7.9821 120.9156 59.6839 30.0721 178.5394 255 Q 3.9640 8.0528 117.2830 58.8498 28.5960 178.8621 256 A 3.9427 7.9894 121.7698 55.0032 18.4167 179.6583 257 V 3.4993 7.7850 116.8185 66.2572 31.5466 178.2285 258 I 3.6645 7.4877 118.7265 64.7245 36.9161 178.5949 259 T 3.7881 7.8968 116.3031 66.4525 68.3017 176.3304 260 K 3.7744 8.6683 122.2146 59.8891 32.1309 178.2440 261 E 3.9185 8.3141 119.2186 58.9874 29.4826 178.5891 262 L 3.9242 7.9095 120.4940 58.2065 42.1459 178.9008 263 I 3.7139 7.9323 119.9332 64.4183 37.1181 178.0465 264 E 3.9481 8.3076 119.3698 59.5810 29.3380 179.5969 265 I 3.6915 7.5594 119.0127 64.5180 37.1702 178.4765 266 I 3.7154 8.1426 120.9544 64.7095 36.6566 178.7807 267 S 4.2392 8.5170 116.3258 61.2595 62.3661 177.0725 268 G 3.5616 7.8119 107.2072 47.6656 0.0000 175.4016 269 A 4.1312 8.1080 123.3550 54.8761 18.2263 179.6706 270 A 3.9873 8.0450 117.8943 54.9180 18.5295 178.9812 271 A 4.1982 7.5010 116.7972 53.2835 18.7818 177.4885 272 L 4.1260 7.5904 122.0094 54.8608 41.7307 176.8310 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.30 1.30 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 0.00 0.00 2 T 7.54 4.13 4.32 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 1.21 0.00 0.00 3 L 8.53 4.04 0.00 1.68 1.76 0.75 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.02 4.00 0.00 1.89 1.82 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.61 7.81 5 D 7.94 4.37 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.89 3.81 2.10 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 1.59 0.78 1.11 0.00 0.00 7 T 8.34 3.90 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 8 R 7.88 3.92 0.00 2.01 1.98 0.00 3.14 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 1.65 1.68 0.00 9 R 8.11 3.95 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 10 L 8.40 4.00 0.00 1.89 1.64 0.72 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.21 3.97 0.00 2.05 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.52 7.81 12 S 7.99 4.14 0.00 4.08 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 13 I 7.77 3.86 1.86 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 0.70 0.91 0.00 0.00 14 K 7.91 4.02 0.00 1.88 1.83 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.57 7.81 15 N 7.76 4.35 0.00 3.05 2.85 0.00 0.00 6.98 7.09 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 16 I 7.73 3.66 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 1.40 0.95 0.91 0.00 0.00 17 Q 8.08 3.98 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 18 K 7.76 4.05 0.00 1.98 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.54 7.81 19 I 8.10 3.70 1.99 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 1.57 0.58 0.91 0.00 0.00 20 T 8.01 4.09 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 21 K 7.93 4.04 0.00 1.96 1.83 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 22 S 7.97 4.18 0.00 4.13 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.59 4.08 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 24 K 8.11 3.87 0.00 1.99 2.00 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.72 7.81 25 M 7.76 4.09 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.95 0.00 26 V 7.92 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 27 A 8.65 4.36 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.87 4.06 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 29 A 7.93 4.02 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 30 K 7.97 4.09 0.00 1.87 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 31 Y 7.89 4.05 0.00 3.02 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 32 A 7.78 3.50 1.31 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 0.00 0.00 33 R 7.54 3.78 0.00 1.82 1.92 0.00 3.23 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 34 A 7.31 4.06 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 35 E 7.56 3.69 0.00 1.19 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.05 0.00 36 R 7.28 4.01 0.00 1.70 1.91 0.00 3.14 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 37 E 7.64 4.14 0.00 2.19 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 2.30 2.29 0.00 38 L 7.28 4.06 0.00 1.89 1.72 0.94 0.29 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 39 K 8.06 3.96 0.00 1.85 1.89 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.66 7.81 40 P 0.00 4.37 0.00 2.27 2.32 0.00 3.61 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 2.20 2.03 0.00 41 A 7.56 4.56 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 42 R 7.88 4.59 0.00 2.16 2.10 0.00 3.28 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 43 V 7.73 3.63 2.13 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 0.93 0.00 0.00 0.95 0.00 0.00 44 Y 7.76 3.86 0.00 3.25 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 45 G 7.99 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 0.00 0.00 0.00 46 V 6.99 3.58 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 0.91 0.00 0.00 47 G 7.29 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 *72 S 8.57 4.37 0.00 4.10 3.82 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 73 S 8.28 4.54 0.00 4.13 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.61 4.30 0.00 2.68 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 75 R 7.41 4.18 0.00 1.66 2.01 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 76 G 8.46 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 77 L 8.69 3.73 0.00 1.80 1.75 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.36 4.82 0.00 2.96 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 79 G 8.03 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 0.00 0.00 0.00 80 A 7.99 4.61 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.26 3.59 1.57 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.67 0.00 0.00 82 H 7.86 4.40 0.00 3.18 3.32 0.00 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0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.91 0.00 0.00 107 G 8.54 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 0.00 0.00 0.00 0.00 108 V 8.37 4.17 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 0.76 0.00 0.00 0.91 0.00 0.00 109 G 8.81 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 9.08 4.51 0.00 3.00 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 0.00 111 K 7.70 4.14 0.00 1.74 1.66 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.04 1.28 7.81 112 I 7.39 3.97 1.98 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 1.69 1.06 0.92 0.00 0.00 113 R 7.87 4.09 0.00 1.96 2.06 0.00 3.02 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 114 S 7.99 4.31 0.00 4.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.30 7.81 173 T 8.33 4.53 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 1.23 0.00 0.00 *206 E 8.82 4.39 0.00 2.14 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 2.33 2.34 0.00 207 Y 7.89 4.19 0.00 3.07 2.98 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 0.00 208 S 8.09 4.24 0.00 4.10 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 0.00 209 L 7.83 3.86 0.00 1.79 1.69 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 210 A 7.49 3.96 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 0.00 0.00 0.00 0.00 0.00 211 N 7.84 4.35 0.00 2.88 2.83 0.00 0.00 6.86 6.94 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 0.00 212 I 7.31 3.84 1.97 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 1.73 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0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 230 T 8.16 3.82 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 0.00 231 A 8.35 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 M 8.26 4.01 0.00 2.37 2.33 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 233 D 7.97 4.29 0.00 2.97 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 0.00 234 N 8.53 4.37 0.00 2.88 2.84 0.00 0.00 6.97 7.20 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 0.00 235 A 8.31 4.00 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 0.00 236 S 7.98 4.17 0.00 4.07 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 0.00 237 K 8.06 4.03 0.00 2.01 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.64 7.81 238 N 8.37 4.31 0.00 2.88 2.86 0.00 0.00 6.90 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 A 8.05 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 S 7.99 4.07 0.00 4.16 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 E 8.12 3.95 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 242 M 8.29 4.03 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 243 I 7.84 3.71 2.04 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 1.50 0.67 0.89 0.00 0.00 244 D 7.88 4.34 0.00 2.83 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 8.27 3.96 0.00 1.92 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 246 L 8.05 4.13 0.00 1.90 1.73 0.96 0.59 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 0.00 247 T 8.25 3.93 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 1.21 0.00 0.00 248 L 7.92 4.08 0.00 1.91 1.74 0.93 0.55 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 0.00 249 T 8.02 3.88 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 250 F 8.48 4.03 0.00 3.24 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 N 8.54 4.55 0.00 2.88 2.90 0.00 0.00 7.07 7.10 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 0.00 252 R 8.09 3.90 0.00 2.01 1.95 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 253 T 8.06 3.79 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 254 R 7.98 3.59 0.00 1.37 1.92 0.00 3.20 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 255 Q 8.05 3.96 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 256 A 7.99 3.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 V 7.78 3.50 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 0.98 0.00 0.00 0.93 0.00 0.00 258 I 7.49 3.66 1.98 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 1.50 0.58 0.90 0.00 0.00 259 T 7.90 3.79 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 0.00 260 K 8.67 3.77 0.00 1.76 2.07 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 261 E 8.31 3.92 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 2.30 2.31 0.00 262 L 7.91 3.92 0.00 2.00 1.73 0.92 1.11 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 0.00 263 I 7.93 3.71 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 1.51 0.69 0.90 0.00 0.00 264 E 8.31 3.95 0.00 2.17 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 2.33 2.48 0.00 265 I 7.56 3.69 2.04 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 0.97 0.91 0.00 0.00 266 I 8.14 3.72 1.97 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 1.65 0.84 0.91 0.00 0.00 267 S 8.52 4.24 0.00 3.84 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 0.00 268 G 7.81 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 A 8.11 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 270 A 8.04 3.99 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 0.00 271 A 7.50 4.20 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 0.00 272 L 7.59 4.13 0.00 1.79 1.59 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.