NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -14 S 4.2115 8.3231 117.0696 60.5963 63.1464 170.8812 -13 G 3.8584 8.6576 111.2070 41.0000 0.0000 167.4432 -12 V 3.7057 8.3678 125.2730 61.3213 33.2649 173.5600 -11 D 4.6279 8.5350 122.9633 53.2913 41.1807 175.3558 -10 L 4.4750 8.5827 126.1384 53.9681 41.7741 176.7410 -9 G 3.9555 8.7141 106.6850 46.8668 0.0000 174.2198 -8 T 4.5393 7.6388 107.7272 58.6656 71.2725 173.5321 -7 E 3.9177 8.6176 123.0654 56.8663 29.9486 175.6223 -6 N 5.0284 8.2871 121.7870 51.0590 40.8410 173.6535 -5 L 4.4112 8.6121 120.4267 53.9741 44.3502 174.9897 -4 Y 5.4248 8.3159 115.8965 56.6380 41.8580 175.7887 -3 F 4.6734 9.1990 123.9339 57.7124 42.1202 174.7261 -2 Q 3.2586 8.8920 128.4523 57.1960 26.0808 174.6486 -1 S 3.7094 8.1217 108.7584 59.3091 61.1461 171.6618 0 M 4.5323 7.8625 120.9661 53.1892 33.6995 173.2137 *191 P 4.5191 0.0000 0.0000 62.7418 33.3601 174.9719 192 L 5.3701 8.6931 124.3680 53.5138 45.9659 174.9303 193 Q 4.7877 8.8472 123.3805 54.0149 33.0475 174.3343 194 L 4.1976 8.3251 122.7178 54.6996 42.1903 175.9765 195 L 4.6077 9.1645 124.3167 55.3311 42.2765 176.2221 196 E 4.7139 7.6642 114.2815 55.0362 32.8238 173.9047 197 V 3.2055 7.3574 122.1978 62.9785 31.3084 175.5255 198 K 4.5064 8.9755 127.0998 56.9944 34.1870 176.3009 199 A 4.6064 7.5920 119.6389 50.3774 23.0249 175.0193 200 R 4.5319 8.4646 120.4451 54.5443 31.3465 176.4004 201 G 3.8732 8.5860 116.2314 44.1834 0.0000 173.1946 202 R 3.7278 8.3068 119.3845 58.3945 29.9380 177.0572 203 F 5.0803 7.3360 112.1869 56.6007 40.7514 174.4207 204 G 3.7898 7.1625 106.2608 45.7722 0.0000 172.3358 205 C 4.8315 8.0682 118.3491 58.6638 30.2944 173.1260 206 V 4.5416 8.3767 123.2827 61.3357 32.7948 174.5050 207 W 4.9849 9.2436 129.1013 55.0927 31.0440 175.9768 208 K 4.0556 8.7799 126.1586 56.5540 32.7692 175.5230 209 A 5.0254 8.9138 127.8507 50.4773 23.8519 174.1590 210 Q 4.9580 9.1985 120.3902 54.2288 31.9795 173.9340 211 L 4.6765 8.8075 128.7805 53.7529 44.7873 177.2201 212 L 3.5246 8.8264 128.1315 56.3865 41.2565 175.2958 213 N 4.9308 9.2319 120.3430 53.5702 39.3045 173.4727 214 E 4.6218 7.9251 117.4771 54.4756 32.7418 174.7003 215 Y 5.0506 8.0330 118.8681 58.1030 39.5544 174.9673 216 V 4.6371 8.8558 115.1477 59.8267 37.1950 173.7920 217 A 5.1085 8.9162 124.0221 50.7188 21.1582 176.4039 218 V 4.3940 8.7185 122.7946 60.9443 33.8672 174.1755 219 K 4.9167 9.2169 130.9714 55.2613 33.9325 175.0640 220 I 5.2135 8.7250 128.5094 59.8015 39.6740 174.4167 221 F 5.2675 9.2819 126.5558 55.1515 40.5742 174.7449 222 P 4.5177 0.0000 0.0000 62.2033 32.2679 177.0460 223 I 3.7046 8.6480 121.3512 64.3684 37.8393 177.9523 224 Q 4.1740 8.1669 116.2604 58.2806 28.7896 176.3076 225 D 4.9568 8.5069 118.8604 54.0767 41.4165 177.6948 226 K 3.7982 8.1439 123.8397 60.1536 31.8254 178.2871 227 Q 3.9749 8.1387 118.9030 59.3694 28.8437 178.4534 228 S 3.9202 8.1035 116.2991 60.8007 62.7574 176.1897 229 W 3.2486 7.7560 130.6339 60.3144 30.2524 177.5871 230 Q 3.6175 8.5249 119.6335 59.0400 28.4758 177.6957 231 N 4.1829 8.2684 118.1891 56.5996 38.9822 176.4576 232 E 3.9517 8.3388 120.8565 59.4661 29.5863 177.9434 233 Y 4.1613 7.5847 118.3123 60.8813 38.9961 177.7822 234 E 3.8661 8.2648 119.5679 59.2133 29.5497 179.3997 235 V 3.3867 8.0148 118.6155 66.3083 31.4021 177.6279 236 Y 4.1925 7.6969 114.0279 59.9114 37.6856 177.3507 237 S 4.4926 7.3824 114.5316 57.5385 63.6178 174.3325 238 L 4.1768 6.8725 122.0646 53.4961 41.1530 175.2068 239 P 4.4121 0.0000 0.0000 64.0856 31.7365 177.2730 240 G 3.9153 8.8427 109.0785 47.0142 0.0000 174.0663 241 M 4.5918 7.3226 115.1296 54.7705 31.9326 176.8867 242 K 4.6301 7.6042 118.4185 55.0390 35.5814 174.2908 243 H 4.4091 8.4233 122.1873 55.0001 32.4308 173.8681 244 E 3.9193 8.6948 126.3778 58.8835 29.6573 177.3351 245 N 5.1785 8.2238 113.3971 51.9152 39.0743 173.1571 246 I 5.1036 7.4956 119.4491 58.9541 39.6768 175.4181 247 L 4.1001 9.0323 129.4920 55.8040 42.6875 176.3737 248 Q 4.2400 8.8956 127.7983 55.9501 30.1269 174.6026 249 F 4.1448 8.7694 129.7044 58.4721 39.5481 174.2804 250 I 3.9926 7.6596 126.7768 61.8724 38.9047 176.0664 251 G 3.9073 5.8780 106.2887 45.7872 0.0000 171.9429 252 A 5.3980 8.5323 121.0409 50.2966 22.4783 175.2956 253 E 4.8948 9.7231 120.5063 55.0109 33.8805 173.7624 254 K 4.4715 8.9474 128.4068 55.5572 33.2707 175.5017 255 R 4.4920 8.6608 125.9569 54.0762 34.8405 177.1039 256 G 4.0527 8.8715 109.4357 46.6559 0.0000 175.0606 257 T 4.7080 8.5213 115.2766 59.0800 71.6137 174.7932 258 S 4.2552 8.5126 115.3240 60.2671 63.4839 175.8860 259 V 3.8763 7.8271 114.2784 63.7140 32.0382 176.6761 260 D 4.7502 7.6448 122.9223 52.4877 39.9109 173.8824 261 V 4.3514 7.6844 121.5033 61.4873 32.9850 174.2589 262 D 4.8704 9.0818 128.3811 52.7883 42.9412 175.2666 263 L 4.6009 8.5693 124.0259 52.7635 43.8317 175.3787 264 W 5.6723 9.3253 124.5942 54.8165 32.5927 174.5959 265 L 5.2903 9.6685 126.2124 53.4533 44.8959 174.8275 266 I 4.9789 8.9618 127.6501 59.7643 39.6000 174.9381 267 T 5.0075 8.4939 115.9987 58.9992 72.5804 173.0182 268 A 4.3669 8.5927 123.5780 52.5073 19.0824 176.7085 269 F 4.7585 8.6828 121.4411 56.5876 41.9745 174.4984 270 H 4.7354 7.4912 122.1627 53.7737 30.6740 174.7364 271 E 3.9723 8.7101 124.6730 58.9778 29.5914 178.5537 272 K 4.0780 7.9190 116.8665 57.0227 32.9796 178.7834 273 G 3.6976 7.7589 108.1678 45.5543 0.0000 173.3054 274 S 4.7488 8.2683 115.4322 57.6204 65.3490 174.6698 275 L 3.8812 8.8090 124.6679 58.5106 41.7471 179.3725 276 S 3.8306 7.9524 112.2574 61.5015 62.2185 175.5466 277 D 4.2836 8.0344 121.4917 57.4174 40.5496 178.8629 278 F 4.0961 8.2986 121.1235 61.3267 39.2532 177.3064 279 L 4.1737 7.9544 118.7047 56.5982 41.3949 179.2110 280 K 3.9570 7.3783 117.7864 58.3301 32.0265 177.4561 281 A 4.5666 7.0847 118.9956 51.7833 20.2340 175.8128 282 N 4.7836 7.6907 112.5902 51.3158 42.4659 173.9484 283 V 4.3975 7.9332 113.4311 59.9949 34.6103 175.4160 284 V 4.8515 8.4000 114.8260 59.3550 35.1345 176.2182 285 S 4.7844 9.2467 119.7523 57.3584 64.1769 175.1780 286 W 4.3479 9.0218 128.8588 61.0254 30.4722 177.5276 287 N 4.0526 8.1491 115.6911 55.9498 38.0734 177.2429 288 E 3.9050 8.3149 120.3983 59.0629 29.4574 178.9936 289 L 3.7960 8.0190 120.7091 58.3142 42.0547 178.7234 290 C 3.6514 7.5858 116.8908 62.9397 28.0043 175.6894 291 H 4.0061 7.8233 119.1504 59.2591 29.4345 177.4748 292 I 3.5404 7.7000 121.3496 64.1713 36.8435 178.2981 293 A 3.8822 8.1323 122.0348 55.0327 18.1181 179.2988 294 E 3.7953 8.3160 118.4225 59.6350 29.7111 179.1859 295 T 3.7804 7.6443 109.7778 64.7832 68.7833 176.2417 296 M 3.9155 8.1259 120.8214 58.4200 32.3386 178.0300 297 A 3.9797 8.2030 121.2342 55.0625 18.4126 179.5609 298 R 3.9328 8.3483 117.6000 59.5014 30.1976 178.9077 299 G 3.6553 8.1970 105.5615 47.8968 0.0000 175.4218 300 L 3.9737 8.1320 122.8699 57.4971 41.8652 178.6644 301 A 4.0067 8.2148 120.3775 55.4291 18.6753 178.6459 302 Y 4.0578 8.3729 118.2801 60.7016 38.7890 177.9198 303 L 3.9595 8.1693 121.2711 58.6568 42.0211 178.5551 304 H 4.5499 8.2025 114.1485 56.8099 29.0687 175.0666 305 E 4.2769 7.1807 122.1026 55.3065 30.4171 175.4610 306 D 4.6258 8.6480 126.9840 54.2411 42.1170 175.7026 307 I 4.5195 8.9037 128.0559 58.5758 38.9429 173.4928 308 P 4.1691 0.0000 0.0000 62.7176 32.5286 176.4562 309 G 3.8284 8.5981 107.2136 46.0451 0.0000 173.9155 310 L 4.2720 7.5194 118.8591 53.5579 42.4126 178.0645 311 K 3.8350 8.7710 122.3866 59.6586 32.0022 177.3779 312 D 4.6159 8.3028 114.6337 53.1587 40.7897 175.7752 313 G 3.6543 6.8902 107.3393 44.8147 0.0000 171.5880 314 H 5.0302 8.5603 123.0219 54.1940 31.8567 174.9716 315 K 4.3702 9.0088 129.0404 55.1294 32.9643 174.5455 316 P 4.8317 0.0000 0.0000 61.8715 32.8910 175.8814 317 A 4.2186 8.6048 122.3659 52.7253 19.5154 176.4176 318 I 5.0944 8.5350 122.4797 59.4416 40.1076 175.5027 319 S 4.8131 9.2394 122.3165 58.2456 64.1924 174.8257 320 H 4.2893 9.9083 123.2766 58.4060 30.0042 177.4195 321 R 4.2812 9.4886 114.7992 56.6133 28.8563 176.0267 322 D 4.7674 7.7494 116.8500 52.8389 41.2666 175.6268 323 I 3.6417 7.7452 120.3541 61.3423 38.1364 176.1350 324 K 3.6740 7.7645 122.4730 55.5615 34.6007 176.3433 325 S 4.2111 8.2519 114.0554 61.2352 62.9687 176.7929 326 K 4.0552 8.0681 119.0642 58.4611 32.1668 176.9786 327 N 4.9331 8.0976 116.1097 52.6458 40.2045 173.9730 328 V 4.7303 7.6103 119.9753 61.1803 34.1010 174.2837 329 L 5.0580 8.7726 128.0309 53.0960 44.3304 175.3181 330 L 4.8959 8.2535 122.7250 52.8283 43.5929 177.1505 331 K 4.2135 8.7449 124.0698 55.5087 33.0639 177.8266 332 N 4.3106 8.5820 117.0336 56.2693 38.4341 175.9650 333 N 4.5886 8.0164 113.4787 52.4881 37.4448 175.6822 334 L 3.4869 7.8340 116.6133 55.2959 40.1450 174.6279 335 T 3.8821 7.8996 116.9651 63.9620 68.8382 173.4563 336 A 4.9420 8.8855 129.2608 51.4340 20.5220 175.8274 337 C 4.9385 8.9069 114.8648 56.4232 33.7514 173.2289 338 I 4.3793 8.8546 122.2725 61.1416 38.0161 174.9436 339 A 4.7688 8.2287 127.3850 50.7194 22.7281 172.6857 340 D 4.2728 8.4972 122.7066 54.4928 38.7156 172.7997 341 F 4.7862 9.0582 123.2731 56.7641 39.4080 178.5757 342 G 3.8548 8.4073 112.7440 47.9931 0.0000 175.0177 343 L 4.5903 7.8450 116.3839 54.2122 42.7844 176.3812 344 A 4.6710 7.6200 121.2757 51.4419 19.3221 177.0253 345 L 4.7315 9.0818 122.9141 52.9630 45.2085 176.1179 346 K 4.6818 8.6201 125.4750 56.7374 34.0272 176.1356 347 F 4.5793 8.9564 120.6488 55.9527 40.8191 175.4928 348 E 3.9914 9.0820 123.4477 58.1680 29.7615 175.9477 349 A 4.7637 7.6515 118.9867 50.2389 22.3301 175.3950 350 G 3.8113 8.4230 106.4777 46.0010 0.0000 174.7675 351 K 4.0066 7.7101 119.7594 56.4901 33.1396 176.8868 352 S 4.1055 8.5106 116.5680 58.3874 62.3992 171.6114 353 A 4.2915 7.8690 126.1465 53.4893 21.8265 176.2819 *356 T 4.1195 7.2689 106.9914 61.7842 68.7218 172.7532 357 H 5.0903 8.6139 122.7116 54.4715 30.5776 175.6492 358 G 4.1400 8.1513 112.2507 45.1660 0.0000 174.1605 359 Q 4.3469 7.9428 118.3093 54.3444 27.5806 176.1077 360 V 4.2747 7.5583 111.7611 61.6721 34.4911 176.9567 361 G 4.0444 7.6871 108.2187 44.8932 0.0000 172.2257 362 T 4.2781 8.3210 116.7826 62.8054 69.5359 175.9280 363 R 3.9442 8.8276 126.8670 59.3341 30.4034 178.7352 364 R 3.9344 8.0860 112.9158 58.8966 29.5303 176.6162 365 Y 4.7148 7.8604 114.1494 58.0314 38.1305 175.1654 366 M 4.2422 8.0464 121.3492 54.4738 32.7622 176.9903 367 A 2.5800 8.2224 125.5088 50.5912 20.4731 176.2243 368 P 4.0066 0.0000 0.0000 66.2189 31.1042 178.7617 369 E 3.8614 7.9016 116.7758 58.6192 29.4515 179.1995 370 V 3.4886 7.3634 119.0423 65.8484 31.5226 177.8251 371 L 3.9640 7.6455 117.5721 57.6826 41.5255 178.8166 372 E 4.1921 8.1962 116.7222 56.5660 29.5905 177.1377 373 G 3.8630 8.4307 106.7546 46.2326 0.0000 174.4856 374 A 4.7217 7.8731 121.3326 49.4853 19.0816 176.0110 375 I 4.6439 8.3250 113.2612 58.2118 41.1084 175.6285 376 N 4.4763 8.8061 123.0879 53.6918 39.5967 175.5096 377 F 5.2148 8.8673 130.0315 56.9506 38.2565 173.2403 378 Q 4.5513 8.0556 122.0101 53.1189 32.9353 174.6125 379 R 2.0000 8.4623 125.5314 59.5945 29.8951 178.4973 380 D 4.2606 7.9020 117.3574 57.1367 40.7627 178.4463 381 A 4.0600 7.9351 121.4898 55.4275 18.5280 179.7816 382 F 4.1402 8.3226 115.7386 60.5593 38.9778 177.9986 383 L 3.9850 8.1454 118.8093 57.8845 41.3835 179.7972 384 R 4.0464 8.2390 118.0071 59.1356 29.8370 179.2349 385 I 3.8128 7.5981 119.6361 64.4308 37.1090 178.0989 386 D 4.5108 8.1527 119.4635 57.8180 40.6927 178.8645 387 M 4.1952 8.3747 119.2424 58.2492 31.7775 178.0300 388 Y 4.6105 8.5502 121.0182 60.2535 39.0009 178.2427 389 A 4.3142 8.1909 121.3063 55.5493 18.4787 179.3141 390 M 4.1873 8.3976 116.9262 58.4467 32.2712 178.4590 391 G 3.6844 8.1877 106.1580 48.0307 0.0000 175.5584 392 L 4.3232 7.8560 121.5083 57.5168 41.6164 179.8852 393 V 4.1370 8.0092 119.6214 65.5480 31.4386 177.9319 394 L 3.9838 8.4426 119.2573 57.6934 41.3998 179.3813 395 W 4.1364 8.4238 128.1610 60.3624 30.3952 177.7267 396 E 3.5956 8.6114 118.6013 59.3859 29.0041 179.0632 397 L 3.9353 7.8769 118.5411 58.1090 41.6471 179.6798 398 A 3.5885 7.9243 120.6070 54.8517 17.9330 179.7269 399 S 4.1981 7.6613 112.1073 60.3025 63.0741 175.1620 400 R 4.5920 7.6932 121.9766 55.8304 30.7917 174.0793 401 C 5.0235 7.4878 118.3906 58.1632 32.9207 173.2313 402 T 4.4116 8.8210 116.1681 61.2696 68.7714 174.4129 403 A 3.9208 7.8444 124.6703 53.9682 18.6123 178.2745 404 A 3.6804 9.1838 122.1593 51.9751 17.3456 176.8473 405 D 4.3923 8.1235 114.0590 55.5217 38.3362 172.5337 406 G 3.6942 7.6711 107.7102 42.5468 0.0000 170.6346 407 P 4.3225 0.0000 0.0000 62.5139 31.7588 175.7627 408 V 4.3910 8.2203 121.1206 61.0520 33.6342 174.7169 409 D 4.7489 8.5946 126.8112 52.4820 42.4776 175.1935 410 E 4.1382 8.4210 119.3953 55.9592 29.9725 176.2567 411 Y 4.1790 8.5575 121.9482 58.2564 39.3738 175.3496 412 M 4.6976 7.6378 125.2179 52.8745 36.0988 175.3853 413 L 4.1223 8.5304 121.5519 53.7831 42.4555 175.2496 414 P 3.6307 0.0000 0.0000 64.2814 31.6008 177.1042 415 F 4.3367 7.6190 118.3224 57.7737 37.2409 176.5847 416 E 4.3700 7.9844 122.1000 58.6150 29.7464 178.4636 417 E 3.9298 8.1688 118.4101 59.1968 30.2826 177.5557 418 E 4.2026 8.1817 118.1356 58.8091 29.8584 178.2731 419 I 4.4273 8.2151 107.7122 60.4651 39.5656 175.6894 420 G 3.8189 8.4194 110.1062 45.0902 0.0000 173.9216 421 Q 4.1051 8.3139 115.7245 57.6874 29.6691 176.0623 422 H 4.9664 7.6675 113.3539 53.5432 29.1933 171.4081 423 P 4.5349 0.0000 0.0000 62.3667 32.7137 177.8237 424 S 4.4332 8.6588 115.6637 57.5648 65.2621 175.0742 425 L 3.8654 8.3780 123.6994 58.5106 41.6262 178.7631 426 E 4.1588 7.9909 119.8093 58.7296 29.6207 178.1339 427 D 4.3145 8.1457 118.9317 57.8331 40.8860 178.8956 428 M 3.7956 7.9475 118.8246 58.4072 31.4386 178.8934 429 Q 3.8316 8.3534 118.6235 58.7101 28.9667 178.4292 430 E 3.9870 8.3625 120.6787 59.2551 29.6238 179.1464 431 V 3.4892 7.5884 118.0844 65.8291 31.8082 178.1223 432 V 3.6446 7.7500 118.1415 65.4316 31.2287 177.9957 433 V 3.5853 7.2877 117.2238 66.1458 31.4925 177.6039 434 H 4.4346 7.9405 114.6287 58.2120 28.8411 177.2103 435 K 4.2499 7.8407 116.9345 55.2772 32.7007 176.5459 436 K 4.3571 7.1010 117.2443 55.9825 30.3427 175.1113 437 K 4.4125 7.8942 116.0049 55.3985 33.6224 176.3966 438 R 4.2750 7.5999 118.5694 53.2046 34.0447 173.3750 439 P 3.5164 0.0000 0.0000 62.2232 31.4070 176.8580 440 V 3.5760 7.9572 121.4822 62.9022 31.9149 175.3700 441 L 4.5722 8.4008 127.5046 53.0355 42.3005 176.6817 442 R 3.5509 5.8400 123.5898 55.6469 30.7874 177.2397 443 D 4.3680 8.8411 123.2259 57.9725 40.8760 179.0853 444 Y 4.2739 8.0237 117.0561 59.8609 37.8085 178.2236 445 W 4.1195 7.3464 120.3424 59.5822 28.8293 177.9869 446 Q 4.2104 8.0852 116.6868 57.8607 28.2365 177.8598 447 K 4.3329 8.0105 118.5442 56.6733 32.4833 175.9246 448 H 4.5794 7.6389 119.8586 53.9569 31.1455 174.4188 449 A 3.9988 8.6642 129.6482 55.4363 17.9533 179.4108 450 G 2.8918 7.2772 103.1166 48.1647 0.0000 175.7460 451 M 3.9073 7.3016 121.1905 57.5649 31.8915 178.6261 452 A 3.9902 8.2345 121.4444 55.3955 18.5946 179.4045 453 M 3.9905 7.9727 116.6548 58.4415 32.2802 178.0323 454 L 3.9842 8.3892 121.0411 58.5100 42.2930 178.7203 455 C 4.1209 8.4020 116.8243 63.0147 28.0986 176.0713 456 E 3.9816 8.1676 119.9929 59.6796 29.0219 179.5616 457 T 3.8155 7.9575 115.7321 66.5795 68.5049 176.6611 458 I 3.3150 7.9512 122.0566 64.3872 36.7697 178.3033 459 E 3.4858 7.7749 119.1263 59.3485 29.2671 179.3674 460 E 4.0379 8.0926 118.5505 59.4745 29.4412 179.2107 461 C 4.2939 8.0247 117.3259 61.6281 27.8908 175.0243 462 W 4.9221 7.4749 115.6628 55.3477 28.5198 175.7728 463 D 4.6626 7.2935 118.9536 55.1464 41.2261 175.9005 464 H 4.1372 9.1279 125.2577 59.1694 30.1949 174.6665 465 D 4.4916 8.8607 120.5275 53.1124 40.7515 176.1804 466 A 4.0951 8.7072 131.1647 55.4237 18.5343 179.1822 467 E 4.0542 8.1056 113.3895 58.7458 29.5940 177.8866 468 A 4.3071 7.7604 120.2453 53.2102 19.0613 177.8518 469 R 5.1313 7.5703 115.2376 55.2959 30.7519 177.0055 470 L 4.3705 8.4600 122.6068 54.6712 42.6017 177.1501 471 S 4.4640 8.6365 116.2277 57.9024 64.4841 174.9541 472 A 4.0886 8.8940 122.5763 55.3571 18.0556 180.3685 473 G 3.5528 8.0320 103.7562 48.0727 0.0000 175.4784 474 C 4.1093 8.2554 119.3138 62.6367 28.0719 176.5179 475 V 3.6639 8.1835 120.0156 65.8594 31.1358 178.0391 476 G 3.7344 8.1232 105.5365 47.9443 0.0000 175.0313 477 E 3.9138 8.1542 121.7274 59.1449 29.6912 178.9515 478 R 3.9540 8.0768 117.9883 59.5599 30.1128 179.1528 479 I 3.7325 8.0042 119.5384 64.5062 36.8325 178.6015 480 T 3.9943 7.6700 115.7075 66.7426 68.5088 176.3388 481 Q 4.1903 8.2003 120.1175 59.2685 28.9232 178.9356 482 M 4.2529 8.1931 118.0195 58.3743 31.0946 178.2930 483 Q 4.0501 8.0250 119.9496 59.0239 29.2426 178.1007 484 R 4.1773 7.7456 117.4089 57.9816 30.2479 176.5129 485 L 4.2021 7.7675 122.9827 54.9637 41.6167 176.6664 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 -14 S 8.32 4.21 0.00 3.65 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -13 G 8.66 3.86 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 0.00 -12 V 8.37 3.71 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 0.75 0.00 0.00 0.94 0.00 0.00 -11 D 8.53 4.63 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 4.47 0.00 1.67 1.66 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 -9 G 8.71 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 T 7.64 4.54 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 1.27 0.00 0.00 -7 E 8.62 3.92 0.00 1.93 1.89 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 2.25 2.30 0.00 -6 N 8.29 5.03 0.00 2.70 2.63 0.00 0.00 6.13 7.79 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 -5 L 8.61 4.41 0.00 1.71 1.72 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 8.32 5.42 0.00 2.88 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 -3 F 9.20 4.67 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 -2 Q 8.89 3.26 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.11 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 -1 S 8.12 3.71 0.00 3.97 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 0 M 7.86 4.53 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 *191 P 0.00 4.52 0.00 2.12 2.30 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 192 L 8.69 5.37 0.00 1.78 1.55 0.86 0.61 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 0.00 193 Q 8.85 4.79 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 194 L 8.33 4.20 0.00 1.04 0.85 -0.11 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 195 L 9.16 4.61 0.00 1.50 1.62 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 196 E 7.66 4.71 0.00 1.86 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 2.16 2.16 0.00 197 V 7.36 3.21 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 -0.76 0.00 0.00 198 K 8.98 4.51 0.00 1.65 1.85 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.63 7.81 199 A 7.59 4.61 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 R 8.46 4.53 0.00 1.74 1.78 0.00 3.20 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 201 G 8.59 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 0.00 0.00 0.00 202 R 8.31 3.73 0.00 1.42 1.35 0.00 2.84 0.00 0.00 2.83 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 203 F 7.34 5.08 0.00 3.29 3.28 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 0.00 204 G 7.16 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 0.00 205 C 8.07 4.83 0.00 2.88 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 V 8.38 4.54 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 0.93 0.00 0.00 0.90 0.00 0.00 207 W 9.24 4.98 0.00 3.18 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 K 8.78 4.06 0.00 1.49 1.42 0.00 1.01 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 0.21 7.81 209 A 8.91 5.03 1.05 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 0.00 210 Q 9.20 4.96 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 211 L 8.81 4.68 0.00 1.74 1.47 1.17 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 212 L 8.83 3.52 0.00 1.85 0.91 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 213 N 9.23 4.93 0.00 2.60 2.70 0.00 0.00 6.56 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 0.00 214 E 7.93 4.62 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 215 Y 8.03 5.05 0.00 2.95 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 V 8.86 4.64 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 0.72 0.00 0.00 0.83 0.00 0.00 217 A 8.92 5.11 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 0.00 218 V 8.72 4.39 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 219 K 9.22 4.92 0.00 1.90 1.94 0.00 1.46 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.90 1.39 7.81 220 I 8.72 5.21 2.04 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.10 1.15 0.00 0.00 221 F 9.28 5.27 0.00 2.87 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 P 0.00 4.52 0.00 2.38 2.06 0.00 4.05 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 223 I 8.65 3.70 1.88 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 1.48 1.34 0.94 0.00 0.00 224 Q 8.17 4.17 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 225 D 8.51 4.96 0.00 3.13 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 0.00 226 K 8.14 3.80 0.00 1.95 1.88 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.53 7.81 227 Q 8.14 3.97 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 228 S 8.10 3.92 0.00 3.88 3.43 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 0.00 0.00 0.00 0.00 229 W 7.76 3.25 0.00 2.08 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 0.00 230 Q 8.52 3.62 0.00 2.49 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 231 N 8.27 4.18 0.00 2.95 2.97 0.00 0.00 6.88 7.74 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 0.00 232 E 8.34 3.95 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 233 Y 7.58 4.16 0.00 2.25 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 E 8.26 3.87 0.00 2.08 1.85 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 2.15 2.17 0.00 235 V 8.01 3.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.91 0.00 0.00 236 Y 7.70 4.19 0.00 2.67 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 0.00 0.00 0.00 237 S 7.38 4.49 0.00 3.77 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 0.00 238 L 6.87 4.18 0.00 1.65 1.53 0.81 0.90 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 0.00 239 P 0.00 4.41 0.00 2.17 1.97 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.07 0.00 240 G 8.84 3.92 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 0.00 0.00 0.00 241 M 7.32 4.59 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.73 0.00 242 K 7.60 4.63 0.00 1.74 1.70 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.45 7.81 243 H 8.42 4.41 0.00 2.67 2.85 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 E 8.69 3.92 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 245 N 8.22 5.18 0.00 2.90 2.93 0.00 0.00 7.40 7.39 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 0.00 246 I 7.50 5.10 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 1.16 0.00 0.00 247 L 9.03 4.10 0.00 1.80 2.03 1.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 248 Q 8.90 4.24 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 249 F 8.77 4.14 0.00 1.51 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 0.00 250 I 7.66 3.99 1.62 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.82 0.00 0.00 251 G 5.88 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 0.00 252 A 8.53 5.40 0.36 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 0.00 253 E 9.72 4.89 0.00 2.37 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 2.37 0.00 254 K 8.95 4.47 0.00 1.75 1.73 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.56 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.22 1.10 7.81 255 R 8.66 4.49 0.00 1.23 1.41 0.00 2.49 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.23 0.00 256 G 8.87 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 0.00 257 T 8.52 4.71 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 1.18 0.00 0.00 258 S 8.51 4.26 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 V 7.83 3.88 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 0.73 0.00 0.00 0.92 0.00 0.00 260 D 7.64 4.75 0.00 2.70 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 0.00 261 V 7.68 4.35 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 262 D 9.08 4.87 0.00 2.26 2.42 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 0.00 263 L 8.57 4.60 0.00 1.57 0.42 0.69 -0.27 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 0.00 264 W 9.33 5.67 0.00 3.49 3.10 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 0.00 0.00 0.00 265 L 9.67 5.29 0.00 2.10 1.95 1.12 1.21 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 0.00 266 I 8.96 4.98 1.44 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.36 0.68 0.00 0.00 267 T 8.49 5.01 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 268 A 8.59 4.37 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 0.00 269 F 8.68 4.76 0.00 2.94 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 0.00 270 H 7.49 4.74 0.00 2.95 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 271 E 8.71 3.97 0.00 2.03 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 2.70 2.68 0.00 272 K 7.92 4.08 0.00 1.83 1.83 0.00 1.89 0.00 0.00 1.43 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.44 7.81 273 G 7.76 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 274 S 8.27 4.75 0.00 4.31 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 0.00 275 L 8.81 3.88 0.00 1.69 1.93 0.93 1.11 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 0.00 276 S 7.95 3.83 0.00 4.04 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 0.00 277 D 8.03 4.28 0.00 2.88 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 0.00 278 F 8.30 4.10 0.00 3.02 3.10 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 0.00 0.00 0.00 279 L 7.95 4.17 0.00 1.26 1.54 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 280 K 7.38 3.96 0.00 1.77 1.80 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 0.87 7.81 281 A 7.08 4.57 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 0.00 282 N 7.69 4.78 0.00 1.44 1.97 0.00 0.00 6.74 7.84 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 0.00 283 V 7.93 4.40 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 0.68 0.00 0.00 0.91 0.00 0.00 284 V 8.40 4.85 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 0.97 0.00 0.00 0.93 0.00 0.00 285 S 9.25 4.78 0.00 3.94 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 0.00 286 W 9.02 4.35 0.00 3.32 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 0.00 287 N 8.15 4.05 0.00 2.76 2.77 0.00 0.00 7.10 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 0.00 288 E 8.31 3.91 0.00 2.19 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 2.30 2.29 0.00 289 L 8.02 3.80 0.00 1.63 1.60 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 290 C 7.59 3.65 0.00 2.62 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 0.00 291 H 7.82 4.01 0.00 3.16 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 292 I 7.70 3.54 1.75 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 1.43 0.48 0.80 0.00 0.00 293 A 8.13 3.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 294 E 8.32 3.80 0.00 1.93 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 2.24 2.26 0.00 295 T 7.64 3.78 4.12 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 0.97 0.00 0.00 296 M 8.13 3.92 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 297 A 8.20 3.98 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 0.00 298 R 8.35 3.93 0.00 2.01 2.12 0.00 3.10 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 299 G 8.20 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 0.00 300 L 8.13 3.97 0.00 1.76 1.63 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 301 A 8.21 4.01 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 0.00 302 Y 8.37 4.06 0.00 3.00 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 0.00 303 L 8.17 3.96 0.00 2.04 1.90 0.84 1.26 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 0.00 304 H 8.20 4.55 0.00 3.39 3.35 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 305 E 7.18 4.28 0.00 2.13 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 306 D 8.65 4.63 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 307 I 8.90 4.52 1.76 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.90 0.00 0.00 308 P 0.00 4.17 0.00 1.91 1.61 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 309 G 8.60 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 0.00 310 L 7.52 4.27 0.00 1.98 1.76 0.99 0.71 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 0.00 311 K 8.77 3.83 0.00 1.70 1.87 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.52 7.81 312 D 8.30 4.62 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 G 6.89 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 314 H 8.56 5.03 0.00 3.11 3.14 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 315 K 9.01 4.37 0.00 1.99 1.69 0.00 1.40 0.00 0.00 1.25 0.00 0.00 2.70 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.29 1.34 7.81 316 P 0.00 4.83 0.00 2.17 1.95 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 317 A 8.60 4.22 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 I 8.54 5.09 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.94 0.00 0.00 319 S 9.24 4.81 0.00 4.25 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 0.00 320 H 9.91 4.29 0.00 3.34 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 321 R 9.49 4.28 0.00 2.13 2.20 0.00 3.57 0.00 0.00 3.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 322 D 7.75 4.77 0.00 2.62 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 0.00 323 I 7.75 3.64 1.88 0.00 0.00 0.62 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 0.95 0.87 0.00 0.00 324 K 7.76 3.67 0.00 1.17 0.74 0.00 1.40 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.22 7.81 325 S 8.25 4.21 0.00 4.12 4.45 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 0.00 326 K 8.07 4.06 0.00 1.75 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.52 7.81 327 N 8.10 4.93 0.00 2.51 2.84 0.00 0.00 6.22 6.96 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 0.00 328 V 7.61 4.73 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 0.92 0.00 0.00 0.94 0.00 0.00 329 L 8.77 5.06 0.00 1.56 1.46 0.94 0.37 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 0.00 330 L 8.25 4.90 0.00 1.22 1.24 0.30 1.00 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 0.00 331 K 8.74 4.21 0.00 1.86 1.69 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.13 1.36 7.81 332 N 8.58 4.31 0.00 2.70 2.88 0.00 0.00 6.85 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 333 N 8.02 4.59 0.00 2.74 2.85 0.00 0.00 6.11 7.79 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 0.00 334 L 7.83 3.49 0.00 1.76 1.69 0.84 0.17 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 0.00 335 T 7.90 3.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 336 A 8.89 4.94 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 0.00 337 C 8.91 4.94 0.00 3.05 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 0.00 338 I 8.85 4.38 2.10 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 1.40 0.99 0.95 0.00 0.00 339 A 8.23 4.77 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 0.00 340 D 8.50 4.27 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 341 F 9.06 4.79 0.00 2.97 2.88 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 0.00 342 G 8.41 3.85 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 0.00 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0.00 0.00 444 Y 8.02 4.27 0.00 3.16 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 0.00 445 W 7.35 4.12 0.00 3.37 2.94 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 0.00 446 Q 8.09 4.21 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.97 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 447 K 8.01 4.33 0.00 1.97 1.91 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.32 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 448 H 7.64 4.58 0.00 3.04 2.95 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 449 A 8.66 4.00 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 0.00 450 G 7.28 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 0.00 0.00 0.00 451 M 7.30 3.91 0.00 1.75 2.01 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.80 0.00 452 A 8.23 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 M 7.97 3.99 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 454 L 8.39 3.98 0.00 1.99 1.91 0.91 0.83 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 0.00 455 C 8.40 4.12 0.00 3.24 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 0.00 456 E 8.17 3.98 0.00 2.13 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 0.00 2.34 2.58 0.00 457 T 7.96 3.82 4.35 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 1.17 0.00 0.00 458 I 7.95 3.31 1.62 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 -0.48 0.00 0.00 459 E 7.77 3.49 0.00 2.12 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 2.54 2.48 0.00 460 E 8.09 4.04 0.00 2.13 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 2.34 2.55 0.00 461 C 8.02 4.29 0.00 3.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 462 W 7.47 4.92 0.00 3.03 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 0.00 463 D 7.29 4.66 0.00 2.82 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 0.00 464 H 9.13 4.14 0.00 3.16 3.40 0.00 5.97 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 D 8.86 4.49 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 466 A 8.71 4.10 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 0.00 467 E 8.11 4.05 0.00 2.10 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 2.36 2.27 0.00 468 A 7.76 4.31 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 0.00 469 R 7.57 5.13 0.00 1.90 1.96 0.00 3.36 0.00 0.00 3.48 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.80 0.00 470 L 8.46 4.37 0.00 1.54 1.61 0.91 0.94 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 0.00 471 S 8.64 4.46 0.00 3.93 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 0.00 472 A 8.89 4.09 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 0.00 473 G 8.03 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 474 C 8.26 4.11 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 475 V 8.18 3.66 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 1.06 0.00 0.00 0.96 0.00 0.00 476 G 8.12 3.73 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 0.00 0.00 0.00 477 E 8.15 3.91 0.00 2.12 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 0.00 2.31 2.41 0.00 478 R 8.08 3.95 0.00 2.04 1.99 0.00 3.35 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 1.88 1.83 0.00 479 I 8.00 3.73 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.86 0.78 0.00 0.00 480 T 7.67 3.99 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 1.21 0.00 0.00 481 Q 8.20 4.19 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 482 M 8.19 4.25 0.00 2.40 2.63 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.73 0.00 483 Q 8.03 4.05 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 484 R 7.75 4.18 0.00 2.28 2.00 0.00 3.33 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 485 L 7.77 4.20 0.00 1.79 1.56 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.