NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2703 8.1733 122.1314 53.8006 33.1004 176.9757 3 E 4.8291 5.9000 114.1175 55.3175 35.0020 173.5302 4 F 5.7457 7.6762 119.5276 57.5806 43.7216 173.1738 5 Y 4.9929 8.0611 118.5523 57.0045 40.0340 174.8520 6 L 4.9508 9.7627 135.0000 55.8301 42.1147 176.9216 7 T 4.2123 8.7275 113.3513 63.0493 69.7423 171.7688 8 V 4.5559 8.3641 124.8863 60.5605 34.0801 174.3924 9 E 4.5876 8.5923 128.6978 54.9955 32.4245 178.4126 10 Q 4.3038 8.8319 127.1234 55.0657 26.7790 171.4947 11 I 3.7891 8.0299 120.1276 60.3313 35.9956 177.4611 12 G 3.7857 9.6422 108.2700 46.5297 0.0000 172.6270 13 D 4.1897 8.1404 130.3277 52.9279 39.2827 174.2221 14 S 5.6712 7.1296 122.4004 58.9321 65.4260 179.0222 15 I 4.1518 7.9949 131.7738 61.2860 32.8603 175.0018 *16 F 4.6828 7.9571 125.3137 57.7234 39.4827 176.2221 17 E 5.2120 8.6705 124.7919 54.4569 33.3867 175.2057 18 R 4.6870 8.5212 123.4176 57.9005 33.1351 170.5275 *19 Y 5.0936 8.5338 124.8912 54.5341 41.4706 171.8134 20 I 4.4700 8.1494 118.9002 61.1972 37.6338 175.7967 21 D 4.7533 9.3308 127.9179 53.3459 41.6938 177.3336 22 S 4.7482 8.8052 121.8380 61.1831 62.6742 175.1231 23 N 4.4692 7.3268 116.2912 52.4469 37.5659 178.3090 24 G 4.1591 8.0732 110.6047 46.3515 0.0000 173.8133 25 R 4.1848 8.0281 120.8091 57.9523 30.1709 182.4416 26 E 5.6890 8.6749 110.9705 59.0479 32.5128 172.7602 27 R 4.1525 8.4247 120.2308 57.9158 30.7156 183.8017 28 T 4.8653 8.5332 110.1244 60.7481 67.7933 177.1703 29 R 5.4766 8.3946 125.9150 58.9609 28.8046 177.0410 30 E 4.5690 7.9003 130.3526 55.8779 29.1157 177.4163 31 V 4.0809 8.8868 122.0376 61.9682 32.4744 176.5582 32 E 4.3477 8.8074 125.4275 56.8592 31.0778 175.4958 *33 Y 4.4683 8.2302 120.7419 56.3085 41.0852 173.1764 34 K 4.4464 8.1770 121.7420 51.9234 31.5709 175.6517 35 P 4.3913 0.0000 0.0000 63.3058 31.7142 176.2070 36 S 5.5015 7.3513 111.8124 58.8353 64.5345 176.5122 37 L 5.3057 7.5490 123.7526 53.1597 45.9220 174.6828 38 F 5.3769 9.5077 116.6859 56.4720 43.4077 174.0761 39 A 5.2494 8.7984 123.4415 50.2104 22.4803 175.3396 40 H 4.6035 9.1240 118.9965 56.1036 28.7706 174.7510 41 C 4.9316 8.4626 118.9580 55.1709 32.4712 171.6624 42 P 4.5724 0.0000 0.0000 61.8189 31.7790 176.9426 43 E 4.1277 8.6528 115.4334 57.8114 29.3104 177.9857 44 S 4.1171 8.3423 117.6776 62.3088 62.9021 176.3164 45 Q 4.4070 7.6932 117.4777 53.4381 27.4732 178.4801 46 A 4.2401 7.9383 122.9622 53.6168 18.9847 178.0732 47 T 4.5881 8.2464 117.3691 62.2687 69.4259 177.6199 48 K 3.5416 8.6206 122.6632 56.8589 30.8789 177.4460 49 Y 4.7340 8.0097 114.4693 59.3081 38.3247 175.3201 50 F 5.7358 8.7094 123.8847 56.0741 43.1426 173.2842 51 D 5.4320 8.0886 118.2496 51.1007 42.1441 176.3481 52 I 3.6042 8.9076 118.1673 65.5863 36.9217 177.2013 53 Y 4.0422 7.8840 115.3707 59.4585 37.8428 177.1104 54 G 4.0007 8.5412 110.7277 45.3679 0.0000 174.4110 55 K 3.9864 8.4156 122.9727 52.8620 32.2370 180.4959 56 P 4.9985 0.0000 0.0000 61.2199 31.7848 174.5720 57 C 5.3034 7.5877 113.8846 58.7737 31.1430 172.4496 58 T 4.8437 8.3557 114.0448 60.2971 70.6649 172.4361 59 R 3.6998 8.2896 126.8179 55.3147 31.6766 175.9929 60 K 4.5382 7.9927 126.6175 53.2704 36.1472 175.3915 61 L 5.2785 8.0024 120.0647 53.3122 45.0108 176.0584 62 F 4.5998 8.4243 117.6713 55.9842 43.0466 174.9967 63 A 4.0918 8.8224 127.9189 54.5155 18.9248 177.5750 64 N 5.7253 7.8363 114.2403 51.8994 39.3514 176.0712 *66 R 4.5157 8.3442 115.8668 56.4084 31.0716 173.9890 67 D 4.8779 7.8340 114.3903 53.1856 43.8698 180.1837 68 A 4.2968 8.5541 120.0811 55.0287 18.1584 179.9027 69 S 4.0022 8.1091 113.1389 61.7197 63.2523 175.9170 70 Q 3.9138 7.6536 123.2514 58.7329 28.4117 178.6375 71 W 4.4839 7.8230 130.2027 61.4049 30.8120 178.2835 72 I 3.2404 8.0942 121.1925 65.4047 35.1068 180.2519 73 K 4.2630 7.9856 127.6753 60.2474 31.4968 182.7950 74 R 4.2485 8.5927 121.2570 58.6318 29.7630 180.5191 *76 E 4.2999 8.1343 119.9630 57.4685 31.3905 177.8700 77 D 4.2924 8.1350 119.4357 58.3318 41.1105 179.4049 78 I 3.8288 7.7802 115.9008 62.7327 35.6151 178.9021 79 G 4.1134 7.0580 119.9132 46.3224 0.0000 174.2254 80 L 3.9443 7.3750 121.4156 53.9868 41.2372 180.9796 81 E 3.8286 8.6887 125.0018 55.1188 30.0383 176.1622 82 A 4.5706 9.5450 131.0820 50.4758 18.9069 176.1753 83 L 4.4533 8.6512 122.0661 55.2493 43.9795 178.3261 84 G 4.4588 7.4841 106.1919 44.6441 0.0000 175.5493 *86 D 3.7946 8.8420 124.8778 52.0739 40.6612 176.5093 87 D 4.1825 7.7428 119.2435 55.3863 41.9459 176.7653 88 F 4.7028 7.9357 122.2210 58.7328 38.5278 177.3730 89 K 4.0915 8.0764 118.8011 59.4668 32.2506 178.7195 90 L 4.3058 7.9620 116.8210 56.2894 42.6307 178.7509 91 A 4.4763 8.1338 121.0213 55.2210 18.6761 178.3074 92 Y 4.2821 8.6609 118.2978 61.2121 38.7909 178.5248 93 L 3.7825 7.5149 118.1229 58.1381 41.5834 179.8965 94 S 4.2894 7.5357 111.8394 60.5999 62.6516 175.9989 95 D 4.6110 7.6807 121.1721 57.1130 41.2340 178.5549 96 T 4.1479 8.3620 109.1493 63.5759 70.3226 174.5427 97 Y 4.1839 8.2271 118.1538 56.2417 37.9296 175.1592 98 N 4.4411 7.9799 120.5621 55.8862 38.2313 176.2512 99 Y 4.2633 7.7509 115.6618 56.0728 38.1867 175.9970 100 E 4.0047 8.9397 123.7821 56.6219 28.0876 175.6774 101 I 3.7279 8.2434 121.7314 59.8486 35.4943 174.4739 102 K 4.5382 8.8743 126.9187 55.2866 33.1509 174.9935 103 Y 3.4233 8.1071 123.1885 56.4488 41.5035 174.8497 104 D 3.9911 7.3596 127.1280 52.9495 42.7945 175.0509 *105 H 3.9981 8.7731 122.7687 58.0426 28.1030 175.3625 106 T 3.7905 7.4051 111.0792 64.9317 69.7462 175.5601 107 K 4.1238 7.7083 126.5199 57.0106 32.0189 180.3633 108 I 3.9757 7.9068 119.9055 61.1814 35.5589 178.5899 109 R 4.5563 8.3944 129.7477 54.0775 33.2433 174.4318 *191 F 4.6841 8.4673 115.5177 58.2050 39.6490 174.2288 192 D 4.3835 9.2666 124.4123 56.1669 39.9450 177.3167 193 N 4.6554 8.0602 116.8162 51.4172 39.4934 178.9021 194 E 4.1511 8.9785 120.0140 62.7008 29.7259 181.3878 195 K 4.4206 8.1533 125.0067 59.4368 32.0187 180.8398 196 E 4.3624 7.8768 117.0961 61.0612 29.5468 183.3501 197 L 5.3334 7.8808 120.1057 56.5953 41.6661 177.3350 198 L 4.7199 8.0620 117.7412 55.1893 42.2320 182.6820 *200 E 4.3783 8.2635 116.2449 57.2429 31.8901 180.8300 *201 Y 4.6418 8.2203 117.9436 60.6080 37.9973 182.9212 202 L 4.2911 9.3738 124.2132 57.0898 41.9132 179.9465 203 N 4.9435 7.9787 116.1620 51.0203 36.5353 176.9624 204 F 5.0904 7.6768 123.3158 59.8853 46.4222 176.3480 *205 W 3.3546 8.3901 124.5409 59.4353 28.2285 183.4210 206 Q 4.0254 8.0518 117.7262 58.7983 27.4250 181.5260 207 Q 4.1417 7.7033 118.9922 57.7073 29.0021 180.6057 208 K 4.4521 7.6208 123.8349 54.2161 31.4095 180.8985 209 T 4.3458 7.8134 112.8652 59.6743 68.9825 174.5080 210 P 4.3559 0.0000 0.0000 62.5349 30.5296 176.3627 211 V 4.2369 8.1396 118.6608 63.7831 32.5260 176.5871 212 I 4.7782 7.5005 122.2060 60.1563 38.2019 174.3586 213 L 4.0459 8.1246 126.0082 55.1478 40.8053 179.4283 214 T 5.1693 9.3781 120.2184 59.7423 71.7065 171.6915 215 G 4.1264 7.7543 106.8187 46.0165 0.0000 173.5781 216 W 5.7768 8.6805 134.1658 58.2453 33.0591 174.8928 217 N 4.7752 9.6692 123.8448 53.6956 37.9961 175.9891 218 V 3.7438 7.6586 116.5203 66.8316 31.8161 177.5787 219 E 4.0029 8.7502 119.5513 58.7635 29.4285 177.5070 220 S 4.8075 7.9875 111.3248 58.2132 63.9130 173.1092 221 F 5.3565 8.5195 122.5941 59.6840 46.1415 175.3333 222 A 3.8946 7.4069 126.0722 54.6767 18.6837 179.8156 223 I 3.7581 8.1503 114.9544 61.9713 35.7764 177.5975 224 P 4.4037 0.0000 0.0000 65.9913 31.9674 177.8730 225 Y 4.3566 8.8923 118.5506 61.0293 38.7563 178.9083 226 V 3.5775 7.8568 112.5216 64.4938 31.7307 177.5150 227 Y 3.8955 7.9798 119.7796 60.1767 38.6349 176.8092 228 N 4.3252 8.3253 116.7326 56.6806 38.6427 177.2652 229 R 3.7007 7.2866 120.2507 59.0233 30.1772 177.5913 230 I 4.3047 7.8091 115.7133 60.1401 36.5697 181.6127 231 K 4.8559 7.9942 119.4081 54.6765 32.6915 180.7100 232 N 4.9299 7.9035 114.2385 56.4520 41.2241 176.3562 233 I 3.7491 8.0433 117.7562 62.8440 35.6935 178.5922 *234 F 4.7979 7.4679 116.9935 54.5450 40.7587 176.5281 235 G 4.0696 7.7622 107.4342 47.1369 0.0000 175.9442 236 E 4.2166 8.9603 120.0407 58.1984 30.1698 177.7441 237 S 4.8277 7.8272 112.6003 58.5031 64.2471 175.7100 238 T 4.0862 7.8545 118.8050 65.5784 68.1157 175.7380 239 A 3.9385 7.9956 125.3668 54.9100 18.1258 179.9849 240 K 4.3496 7.9724 118.0803 54.6941 30.7358 182.8935 241 R 3.8078 7.7770 122.2458 58.8921 30.0061 175.9916 242 L 3.9788 7.8763 130.2430 55.3972 41.5822 175.6109 243 S 5.3293 8.1348 124.4113 56.7951 64.5232 175.5076 244 P 4.2310 0.0000 0.0000 65.9104 30.8132 177.1539 245 H 3.9520 9.0145 123.5221 56.9921 29.7499 175.7355 246 R 4.1566 7.5644 119.5141 55.3562 26.2619 180.6056 247 K 4.4694 7.6061 124.0749 55.5907 35.1044 176.0903 248 T 5.0910 8.7907 122.2766 59.4660 72.2820 171.4864 249 R 4.7096 8.2475 121.7235 55.4980 33.3799 176.3102 250 V 4.0130 8.4798 125.0041 62.9805 32.9014 175.1661 251 K 4.5643 7.7853 127.0668 55.1035 36.1831 175.7491 252 V 4.4218 8.1171 112.2032 62.1647 35.0399 175.2953 *261 E 3.8499 8.7080 120.8795 57.4487 31.6576 177.9183 262 I 3.4659 7.4531 113.7403 63.6026 31.8077 174.4498 263 I 4.2211 7.1801 126.8711 59.4083 34.7596 178.2083 264 T 4.4094 7.8632 119.3267 59.6807 68.2527 173.4230 265 L 4.9857 8.2642 123.1963 54.8847 43.2749 176.3673 *266 F 4.6367 8.6748 119.3632 57.4922 38.6744 176.9464 267 G 4.1835 10.5939 113.7159 44.3765 0.0000 173.2688 268 I 4.7374 6.9260 117.8795 59.4675 41.2918 175.3003 269 S 4.6712 8.1709 115.9766 57.0998 65.3662 174.0423 270 V 4.5602 8.3163 118.1534 59.9067 32.9975 177.2948 271 L 4.7459 8.1244 122.1677 53.5618 43.8008 172.5573 272 D 4.4102 8.3933 119.5453 54.4073 41.3984 175.8899 273 Y 3.8657 9.2814 129.5212 60.8842 38.5579 177.8183 274 I 2.2370 6.9709 118.7519 64.0368 37.7633 177.1430 275 D 4.1051 7.7266 119.1284 57.4198 40.3200 179.0762 276 L 3.8795 7.3981 118.1323 57.4332 41.8778 178.2273 277 Y 4.3453 8.9477 120.4760 60.8837 38.7904 178.3641 278 K 4.0667 7.9410 119.1554 59.3012 32.0379 181.1971 279 K 4.4758 7.8302 120.0316 56.6550 32.3464 177.7212 *280 F 4.3462 8.0855 119.2744 57.6024 45.6698 177.1301 281 S 4.5939 8.6769 119.8532 58.9496 61.1567 175.5745 *282 F 3.9562 8.1839 124.5138 58.9763 38.3185 174.6455 283 T 4.7196 7.6505 116.2063 61.6344 70.3400 173.2498 284 N 4.9021 8.6673 124.3370 52.6148 40.0718 174.5973 285 Q 4.3195 8.3410 124.7440 54.0807 30.2223 174.4947 286 P 4.2580 0.0000 0.0000 65.2011 31.6759 176.6047 287 S 4.6827 7.5981 110.9943 56.0105 65.0134 172.9980 288 Y 4.6504 8.3099 121.5059 56.4812 39.7333 175.4082 289 S 4.6229 8.7238 120.1968 58.2142 65.5611 175.9368 290 L 2.4400 8.3393 128.0109 57.4842 42.4946 177.8782 291 D 4.2992 7.4774 117.0870 57.8218 41.5604 177.8200 292 Y 4.4473 8.0968 118.5337 61.0062 38.9802 178.0944 293 I 2.7800 7.6503 120.3777 63.8738 37.6868 177.5688 294 S 4.0338 7.3074 113.8229 61.6695 63.0498 176.1456 295 E 3.8894 8.0370 122.6365 58.5079 28.9967 179.4414 296 F 4.4542 7.7572 120.4458 61.1016 39.6337 175.5001 297 E 4.1288 7.9447 114.6046 56.2814 31.0283 176.6487 298 L 4.3132 8.8595 118.1404 54.0023 42.9690 176.1106 299 N 4.2589 7.6356 113.9201 54.1636 36.5374 174.7256 300 V 3.9526 7.7714 110.2196 61.2020 33.1142 176.5054 301 G 3.7871 8.2442 106.4727 45.4439 0.0000 179.4578 302 K 3.4623 6.7255 114.7269 56.2859 36.2393 173.8725 303 L 4.3990 7.7930 129.5263 52.5885 43.7146 177.7203 304 K 4.3463 8.5055 126.8749 53.1138 31.4272 171.1135 305 Y 4.9554 7.5710 122.6992 55.9052 40.5715 174.7724 306 D 4.8671 9.3874 115.0591 50.3178 41.3035 175.1045 307 G 3.8026 7.1012 107.0059 44.3406 0.0000 168.5786 308 P 4.5778 0.0000 0.0000 63.3279 32.7441 176.5195 309 I 3.9872 8.1398 112.0446 62.4064 38.6943 177.1309 310 S 4.2564 8.0628 113.6207 59.5633 62.7097 175.1274 311 K 4.4188 7.3863 127.3166 59.8072 32.7904 184.0661 312 L 4.1940 7.1072 120.1476 57.5134 40.3891 179.0144 313 R 4.5671 7.9497 121.4112 59.1066 32.7597 178.3442 314 E 3.8951 8.5454 108.1917 58.8436 28.4215 179.8048 315 S 3.9641 8.8446 113.2855 63.0168 62.9835 177.3437 316 N 4.7231 8.2236 118.5931 52.6142 34.5581 178.1650 *317 H 4.3969 8.2214 124.1380 57.7979 28.9453 180.0325 318 Q 4.3167 8.1946 119.8990 58.2950 28.2032 179.2720 319 R 4.6399 7.3979 118.8820 57.8727 29.6082 179.2367 *320 Y 4.5339 7.7726 118.4906 59.1625 38.8772 180.5701 321 I 3.9314 7.4292 119.2035 64.3998 35.3662 180.4278 322 S 4.5475 8.0342 113.9427 62.2938 63.0496 175.4845 323 Y 4.2389 8.2483 115.9922 59.2350 37.6552 177.1705 324 N 4.6163 8.0016 118.8789 56.4378 39.4228 176.7916 325 I 3.8683 7.0895 119.7005 64.2346 37.3813 177.6839 326 I 3.6778 7.5558 120.6558 65.1929 36.8950 177.9130 327 A 3.9651 7.8579 120.3103 55.1988 18.2858 179.4612 328 V 3.6792 7.2910 114.3875 66.1075 31.6900 176.9117 329 Y 4.4979 7.7967 118.1942 59.6441 38.8586 177.1999 330 R 3.6659 8.1364 119.7233 59.2818 29.9840 178.6238 331 V 3.3728 7.7044 116.9994 66.2189 31.1824 177.4852 332 L 4.1175 7.8282 116.4028 58.1341 41.7469 179.1159 333 Q 3.8824 7.4718 117.3102 59.0521 28.5680 178.9653 334 I 3.4877 7.7019 120.7990 64.6998 37.1364 177.9234 335 D 4.2226 8.7693 119.1328 57.2900 40.6294 178.3518 336 A 3.5837 7.5848 120.6600 54.5224 18.4224 178.8238 337 K 4.0326 7.9471 116.9786 57.8554 32.4996 178.0111 338 R 3.9688 7.6104 115.6727 54.7423 31.9272 175.6838 339 Q 3.6643 8.7942 117.4593 56.1784 27.3484 176.0119 340 F 4.8709 8.0559 118.3237 60.5135 38.3286 176.7551 341 I 3.9298 8.1667 118.4337 62.8481 37.0250 177.3337 342 N 4.3770 8.6458 121.3442 56.7757 39.0363 177.2905 343 L 4.0191 8.0281 121.7411 60.4942 40.8702 180.2393 344 S 4.1006 8.2980 114.3311 59.7879 62.8360 176.5885 345 L 3.3010 7.1893 121.5090 57.8745 41.7137 179.4875 346 D 3.8271 7.1770 116.0978 55.5943 41.4579 178.6613 *348 G 3.8810 7.9804 109.8248 45.6530 0.0000 174.9044 349 Y 4.5806 7.3067 115.6703 59.6352 38.5359 176.4070 350 Y 4.3471 8.5117 120.9311 60.1264 38.9698 176.0739 351 A 3.8292 7.7647 118.6403 51.4235 19.3051 176.9449 352 K 4.0259 7.9118 115.9551 57.9505 29.8252 177.0039 353 I 4.2565 7.3780 119.3021 59.4810 37.3527 176.5824 354 Q 4.5118 8.2571 119.2512 57.9249 30.5146 175.6546 355 I 3.9632 7.0746 113.3349 63.8195 37.6548 177.6509 356 Q 3.6818 7.6636 118.8437 58.2156 28.1495 178.4399 357 S 4.1543 7.9125 113.9160 60.6066 62.0833 175.7655 358 V 3.6620 6.9528 114.1746 65.4876 31.1902 177.3504 359 F 4.5303 7.2662 116.9412 57.7419 38.5785 174.9398 360 S 4.0568 7.8119 110.4474 58.4845 62.8739 174.3592 361 P 4.2288 0.0000 0.0000 65.3783 31.4711 178.3394 362 I 4.1649 7.9123 115.0187 64.2066 37.5579 178.6707 363 K 4.1658 8.2894 126.0249 60.3120 31.6112 180.1594 364 T 4.0468 7.8565 116.3587 65.7407 68.1800 176.0547 365 W 4.2684 8.2791 122.4796 60.3324 29.4852 178.3467 366 D 4.4120 9.4063 118.2407 57.4543 40.9736 177.7423 367 A 4.1826 8.8265 122.2548 56.3812 18.4032 178.8934 368 I 3.6491 8.5029 120.9566 63.8577 36.9130 179.1483 369 I 3.6669 8.2030 120.8527 66.0955 35.5273 178.8685 370 F 4.7794 9.2350 121.9948 60.0336 38.6271 177.0269 371 N 3.8431 7.6145 118.3899 56.3773 38.7949 176.4240 372 S 4.2035 7.8881 113.9800 61.7246 62.4320 176.2400 373 L 4.0338 7.9979 123.0965 57.4728 41.2599 179.1271 374 K 4.5872 8.3548 122.5414 57.0122 31.7276 180.8984 375 E 4.7062 7.8892 120.3297 57.5242 31.7844 176.0471 376 Q 4.3202 7.6667 115.3711 54.8606 29.0822 175.3371 377 N 4.3464 7.9963 113.7853 54.8172 36.0582 173.7290 378 K 4.8792 8.4892 115.4604 54.6494 35.3043 177.4418 379 V 4.1996 8.2004 122.6988 60.7382 33.7226 175.3626 380 I 4.0608 8.1970 121.2262 60.2683 39.0047 173.1299 381 P 4.7853 0.0000 0.0000 61.6385 32.7676 175.3813 382 Q 3.7852 8.3265 123.4073 56.7113 29.5195 178.1772 383 G 3.6188 8.5672 117.5116 45.8899 0.0000 173.8489 384 R 3.9716 7.8308 123.2922 56.0512 30.4197 175.6471 385 S 4.6649 8.2523 113.6192 56.9524 64.1783 173.3810 386 H 4.9432 8.7048 124.2516 53.2164 31.1258 171.9518 387 P 4.4505 0.0000 0.0000 61.5841 32.0735 175.2210 388 V 3.4658 8.5414 124.5455 63.7278 30.8892 175.7173 389 Q 4.2669 8.3899 125.9053 53.9349 29.1224 173.3642 390 P 4.4831 0.0000 0.0000 62.3084 29.5306 174.9452 391 Y 4.2488 7.2571 119.1908 55.2092 40.0617 175.9911 392 P 4.3684 0.0000 0.0000 63.8371 32.8238 178.3376 393 G 4.1397 8.5510 106.0973 45.9240 0.0000 173.1144 394 A 4.7867 8.7258 128.2290 51.1149 21.8036 176.8545 *395 F 4.7894 8.5172 121.4946 55.2872 38.9430 174.3684 396 V 3.5402 8.2046 124.5555 63.0428 31.1400 176.7658 397 K 3.9768 8.4631 126.2669 54.4102 32.1041 172.3177 398 E 4.3290 8.5537 123.6036 54.4374 30.2772 174.8223 399 P 4.3039 0.0000 0.0000 63.0150 32.2343 177.1563 400 I 4.0323 8.0560 118.2345 58.3573 34.4602 174.1954 401 P 5.3163 0.0000 0.0000 63.3751 31.5531 175.8540 402 N 4.8557 8.5291 123.1522 52.2567 42.0802 171.0059 403 R 4.4390 8.4504 112.1034 58.3141 31.2898 176.8024 404 Y 4.2072 9.0402 118.3902 56.3655 40.0841 175.6333 405 K 3.8485 9.0958 121.5968 59.2925 33.1794 175.5768 406 Y 5.0215 8.9017 115.8655 57.4540 39.8540 175.1207 407 V 5.3216 9.2741 124.5911 58.8188 35.7316 174.4100 *409 S 4.6170 8.4060 113.1885 58.7865 64.3803 172.7196 410 F 5.4040 9.4910 119.3781 55.9891 43.5812 173.3885 411 D 5.6916 8.9314 121.9633 51.3777 42.3723 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124.0094 61.8991 37.6952 175.2075 431 A 4.9225 7.8983 131.7380 51.1161 21.0654 176.6956 432 G 3.9881 8.2662 107.8192 46.0083 0.0000 171.2767 433 T 5.2914 8.3372 112.9219 60.2468 72.3431 173.3088 434 F 4.9615 7.8331 117.3173 55.4937 40.9490 174.2269 435 K 3.8687 9.1246 125.3253 55.3877 31.9331 175.3807 436 V 3.8002 8.3104 126.1633 61.9464 32.0622 175.1777 437 A 4.5266 8.9232 130.4724 49.8289 20.2780 174.5962 438 P 4.1797 0.0000 0.0000 62.5688 32.0442 176.5248 439 L 4.1526 9.0524 122.8667 58.9444 41.4973 178.5911 440 H 4.0580 8.3987 117.3055 59.7628 29.7080 176.3857 441 D 4.4520 7.9772 119.7982 57.8406 40.6160 178.8259 442 Y 4.5674 7.7829 116.7092 61.1848 37.8861 178.1353 443 I 4.2021 8.2520 112.9711 63.4291 37.5500 176.8165 444 N 4.4810 7.7814 115.0692 51.4544 39.8572 173.9442 445 A 4.3659 8.2061 121.6073 52.9087 16.2988 178.2964 446 V 4.0220 8.3782 120.7481 64.0536 33.0853 175.6174 447 A 4.3013 7.8915 124.2423 51.5504 19.5577 176.6098 448 E 4.3231 8.2533 115.0707 54.8910 30.5713 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179.0857 544 R 4.5974 7.8270 119.1117 57.2525 33.0513 178.8165 545 A 4.5263 7.8181 118.4797 53.2768 19.4005 178.1360 546 Q 4.4322 7.8973 116.7314 56.5731 30.1959 184.0838 547 R 4.0646 7.9230 117.9198 59.8510 29.7068 182.0239 548 T 4.4262 7.6483 109.7290 62.2114 69.0396 179.0429 549 E 4.4023 7.8131 116.4110 58.0576 30.7420 182.2810 550 V 4.2250 7.0336 110.7947 59.2746 30.1808 173.7506 551 A 4.3545 7.4138 129.3748 52.9510 24.0903 178.8336 552 G 3.6278 7.9050 103.1715 48.2792 0.0000 174.6124 *554 T 4.2021 7.6118 110.6903 60.0782 70.6496 178.5002 555 A 4.4782 7.6973 133.9618 52.5665 21.9740 179.7262 556 Q 3.9773 8.0922 115.4565 59.4108 28.4672 178.7453 557 I 3.9621 7.6670 120.9674 63.5975 37.1650 177.4607 558 N 4.4344 7.9182 117.6786 56.2407 38.3316 176.0625 559 R 4.1938 7.5383 118.8554 57.2104 30.3774 178.6700 560 K 4.4457 8.4887 125.5732 58.9659 31.9005 183.6743 561 L 4.2734 7.3387 118.1989 57.8808 41.7423 179.5666 562 L 4.3657 7.8526 118.4180 58.0701 41.5704 179.3858 563 I 4.0904 7.3215 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175.1328 620 G 4.4794 7.5326 115.0389 43.3131 0.0000 171.2736 621 D 4.5473 8.4372 118.9158 52.7327 42.1049 176.1476 622 T 3.9070 8.5449 117.3130 65.2075 69.0594 174.4495 623 D 4.9383 9.3970 122.3217 53.9987 39.6309 173.2450 624 S 5.2064 8.6350 114.8984 57.0554 66.2102 172.4759 625 I 5.3226 9.5200 126.4406 59.8437 42.0993 173.0937 626 Y 5.1899 9.0168 123.6780 56.3580 41.5807 174.8559 627 V 5.0826 8.4733 115.1567 59.7186 36.3760 174.8699 628 S 4.7220 9.1321 120.0658 57.2181 62.8652 174.1712 629 A 4.2477 8.9098 127.8310 53.6017 17.9127 177.9684 630 D 4.1293 8.3174 122.3980 58.3207 40.0925 178.9638 631 K 4.0868 7.6399 128.1374 59.1275 31.7772 181.1642 632 I 3.9743 7.4243 117.2266 64.8135 37.4178 177.6111 633 I 4.0116 7.5420 117.1490 62.8053 37.9805 177.3621 634 D 4.3534 7.6246 119.5542 57.7749 40.7028 178.5573 635 K 4.0057 7.4531 116.2405 58.7334 32.1863 178.0267 636 V 4.0689 7.6432 109.3156 59.5771 32.9680 172.6817 637 G 3.8363 8.7491 115.8471 44.8698 0.0000 175.0157 638 E 4.2001 8.5957 121.7114 59.0682 29.8014 179.5326 639 S 4.1746 8.1861 114.9597 61.5551 63.0841 175.9535 640 K 3.9788 7.7344 120.3696 55.3988 31.5430 180.8006 641 F 4.8306 7.6917 116.9872 56.3898 40.5474 175.8406 642 R 4.0445 8.4606 125.3554 58.7133 30.3435 176.7182 643 D 4.9390 7.5152 116.4879 52.6283 42.2413 175.3423 644 T 3.8426 8.6458 116.2330 68.2054 68.6551 178.3575 645 N 4.3944 7.7182 114.8907 52.6408 37.3828 177.2328 646 H 5.5953 8.6686 120.5163 56.3366 32.2926 175.4327 647 W 4.6006 7.6556 116.3163 58.6765 27.8929 178.3645 648 V 3.1860 6.9285 118.9180 65.3136 30.9227 177.4156 649 D 4.3282 7.7925 118.7087 57.1591 40.7564 178.3366 650 F 4.5539 8.4687 123.3397 61.9318 39.4051 177.7143 651 L 3.9412 8.1106 122.1851 59.2081 40.7331 181.0844 652 D 4.5850 8.5156 121.3302 57.7410 41.1920 179.2774 653 K 4.0028 8.2175 124.2232 59.6780 31.6510 180.6240 654 F 4.1273 7.7544 120.6230 61.1543 39.2369 176.9484 655 A 4.2883 7.7633 118.7073 54.4092 18.5143 179.0285 656 R 3.8517 8.1367 114.8689 59.4060 31.1104 178.6540 657 E 4.3511 5.9000 113.1899 52.4657 28.9144 177.9529 658 R 4.6973 7.4383 129.7703 56.8465 32.7120 175.4975 *660 E 4.1042 7.5515 116.6495 56.5606 31.5299 175.8504 661 P 4.1391 0.0000 0.0000 65.7170 31.1650 178.3056 662 A 3.5678 7.1200 119.4034 55.0743 18.0958 179.4631 663 I 3.3723 7.4927 117.5675 64.6407 37.1492 177.7779 664 D 4.6495 8.3114 120.9866 58.4214 41.1757 179.3720 665 R 4.1151 8.3522 121.1662 61.0766 29.1122 180.8435 666 G 3.7775 7.9093 104.6749 47.9549 0.0000 175.7550 667 F 4.6289 8.4433 122.0554 60.9333 39.0972 178.0797 668 R 4.3574 8.3914 121.8457 62.3294 29.3522 182.1315 669 E 4.2970 8.0076 116.3829 58.6771 29.7608 180.0274 *671 C 4.9306 8.1935 124.2606 60.9141 33.3509 176.1589 672 E 4.1496 8.1744 114.8103 58.4018 29.7822 181.1107 673 Y 4.4696 7.8674 115.3392 59.2658 38.9277 174.9254 *675 N 4.9242 7.8063 116.5665 53.6208 39.4145 172.4797 676 N 5.5328 8.1384 119.5670 51.1785 41.0393 176.3702 677 K 4.0284 8.8208 119.8588 58.9797 32.4115 176.3356 678 Q 4.4539 7.5215 114.5759 54.9038 32.8149 173.3553 679 H 4.7201 8.6029 118.8244 54.6033 29.7532 173.8980 680 L 3.4933 8.4067 127.0295 52.6503 44.1460 176.0690 *682 F 4.8473 8.1498 123.5057 57.3573 40.3645 173.7694 *684 D 4.7286 8.1456 118.9185 54.7432 42.6152 175.2218 685 R 3.0851 8.5198 121.7624 56.4844 29.8189 175.2426 686 E 4.1511 8.9623 129.2608 56.3282 28.7708 176.7467 687 A 4.9004 7.6466 123.7047 49.7931 22.8528 176.4665 688 I 4.7028 8.0152 118.9364 60.0974 40.7769 174.1523 689 A 5.3913 9.3989 128.8717 50.1587 22.9993 174.8469 690 G 4.6491 8.4049 107.6377 44.4880 0.0000 171.6750 691 P 4.5625 0.0000 0.0000 61.5901 32.0748 174.6644 692 P 4.3448 0.0000 0.0000 63.6728 31.0573 175.7670 693 L 3.8404 8.0531 125.1305 56.3377 41.3807 175.3399 694 G 4.3426 9.8108 119.2683 46.7021 0.0000 173.3855 695 S 3.9421 8.0266 115.7798 58.4436 63.0583 174.8296 696 K 4.5993 8.6660 128.8269 54.2309 32.2039 174.1938 697 G 4.8770 8.0764 107.9261 43.7009 0.0000 173.4203 698 I 3.6727 8.2426 116.7327 60.6925 37.6903 175.9270 699 G 3.9513 8.4712 106.7052 45.1755 0.0000 173.1658 700 G 4.5962 7.0333 105.4228 46.3267 0.0000 171.9888 701 F 5.9145 8.2853 114.6273 55.1856 42.4038 173.4907 702 W 4.9458 9.2579 118.6822 55.5159 31.9318 176.4505 703 T 4.2986 8.4094 114.4415 63.6508 69.3967 174.6129 704 G 4.1653 7.5677 109.7887 45.4286 0.0000 173.0604 705 K 4.5295 8.5118 120.3413 55.5953 32.1493 174.4293 706 K 3.8534 8.8280 120.9978 57.5705 30.7930 176.8469 707 R 4.3951 7.9612 120.5108 54.9911 29.8053 180.0030 708 Y 3.9889 6.5688 122.8026 55.0011 41.7874 174.3669 709 A 4.1673 6.6353 115.0798 51.4797 23.0803 175.9702 710 L 5.1344 8.7990 122.2649 52.5348 47.0737 176.2034 711 N 4.9727 7.2763 116.2609 56.8105 37.5992 175.1033 712 V 3.2990 6.5242 116.1020 62.1327 33.2376 175.3698 713 W 4.4808 8.9758 126.5281 55.8953 29.5750 175.7877 714 D 4.4162 6.7596 115.3739 53.7312 42.3726 174.7799 *716 E 4.4248 8.6286 113.5794 56.4349 31.2053 176.7152 717 G 3.4940 7.9493 114.0484 46.3567 0.0000 175.5539 718 T 3.5620 7.9232 117.3623 64.4563 64.8729 171.0744 719 R 4.6361 8.2172 123.7831 55.4889 28.4242 174.5526 720 Y 4.4194 7.9102 118.3119 55.8588 39.1629 176.9740 721 A 4.1515 8.8508 127.2383 54.8019 18.6273 177.0352 722 E 4.7522 7.6554 112.7752 53.0943 33.1073 172.9082 723 P 3.6988 0.0000 0.0000 62.8889 31.0577 176.7347 724 K 4.3109 8.1107 130.5278 53.9419 32.1842 173.6955 725 L 4.1468 8.4027 129.1154 53.8842 41.8027 173.2646 726 K 4.3651 9.5367 128.9786 54.6559 33.3787 175.6611 727 I 3.9425 7.9611 127.3197 58.9984 37.9896 173.3175 *729 G 3.4673 8.8449 112.2479 46.3751 0.0000 174.8988 730 L 4.0597 6.8996 118.8623 53.8205 41.5635 178.9307 731 E 4.5359 8.6132 114.3391 57.9405 29.2896 176.6463 732 T 4.3763 7.6111 115.6189 62.8763 70.4209 175.0993 733 Q 3.5132 8.9474 120.0540 57.0814 26.7808 174.9838 734 K 3.8345 7.5861 118.7828 55.2637 31.8616 181.5534 735 S 4.2685 8.7808 120.1707 60.4199 63.1038 174.7767 736 S 4.6245 7.6756 114.4805 58.0383 62.3531 173.8054 737 T 4.5454 7.8473 116.8201 60.4223 70.3130 173.1900 738 P 4.2439 0.0000 0.0000 63.8681 32.6044 177.4295 739 K 4.4238 9.2116 126.4763 59.9121 31.2639 176.5468 740 A 4.2794 7.6751 119.4910 54.9771 18.3232 179.4760 741 V 3.7135 7.9818 114.9402 66.3193 31.8035 178.5775 742 Q 4.1649 8.4938 119.5149 59.7938 28.0235 178.9301 743 K 3.9022 8.3990 125.6450 59.6272 31.5134 181.4689 744 A 4.2952 7.6412 122.7982 54.4729 18.2865 179.3528 745 L 4.2949 8.0643 119.9804 59.0880 41.8135 180.3077 746 K 3.8685 8.1744 122.9413 59.9100 31.4708 179.9421 747 E 3.9060 7.8533 119.5075 60.0433 29.2577 178.5176 748 C 4.0476 8.5744 115.5842 62.9205 28.2258 175.5225 749 I 3.8074 8.2083 122.5166 65.2971 37.1829 177.8747 750 R 3.9855 8.7361 121.9213 59.3995 29.9568 178.8108 751 R 3.8566 8.7708 122.2523 59.0645 31.0931 180.7012 *753 L 5.2593 7.7929 119.9151 55.9871 42.8929 178.3139 754 Q 4.2233 7.8848 117.1800 58.7550 30.5145 179.6202 755 E 4.7201 8.3365 121.9812 55.7687 28.8265 180.6643 756 G 4.5931 8.4050 121.1871 46.5958 0.0000 172.6033 757 E 4.0418 8.7975 119.2032 57.7270 29.5002 177.2122 758 E 4.3494 8.0465 118.0164 57.6094 30.7091 176.9674 759 S 4.4762 8.6203 115.5194 60.9304 63.8588 176.6699 760 L 4.6783 7.7754 118.0130 54.3768 40.1695 179.4920 761 Q 4.9919 8.0807 121.7769 57.3761 33.5112 176.7865 762 E 4.2016 8.0207 115.8491 59.7055 30.1763 179.7803 763 Y 4.6113 8.8677 117.8849 59.5536 39.0347 177.1760 764 F 4.5639 8.5424 123.3515 61.9262 39.8711 177.1953 765 K 4.3173 7.8319 126.8231 58.9484 31.3595 180.9580 766 E 4.2940 7.2897 114.9526 58.5711 29.7187 180.6848 767 F 4.9482 7.6550 123.6151 60.6622 40.4210 177.1411 768 E 3.6122 7.9933 120.0634 60.0478 29.2202 180.4095 769 K 3.8711 7.7268 122.8063 59.9320 31.8710 181.1315 770 E 4.1922 8.1186 118.2688 59.0232 29.3175 179.0415 771 F 4.4672 7.7865 122.2879 61.7345 39.6769 177.7475 772 R 2.9737 7.2903 118.9448 60.7575 30.4585 179.6924 773 Q 4.5016 7.5745 119.1265 53.7134 27.3622 174.7037 774 L 4.4703 7.3242 122.3218 53.9124 45.7801 174.4133 775 N 4.2396 8.7812 123.8350 53.9952 39.5746 175.1192 776 Y 4.0353 8.1925 122.3549 60.0128 38.2375 178.3449 777 I 3.1730 6.7078 112.6791 63.2113 36.0041 176.7620 778 S 4.4057 7.6344 116.6153 59.9835 63.1771 175.1466 779 I 4.3328 8.6890 112.6021 62.2180 41.0056 175.5376 *861 D 4.3790 7.3150 120.3499 52.6538 42.8669 176.5964 862 V 3.5146 7.5078 119.5460 65.8010 31.8653 178.1395 863 L 3.6859 7.7281 117.7210 56.6439 40.9392 177.2955 864 H 3.9638 7.2456 119.4238 57.9637 30.2092 174.8179 865 W 4.5201 7.4594 120.0285 56.7417 29.2688 176.0225 *867 D 4.3993 8.4861 122.2450 54.0594 40.7284 175.0587 868 Y 4.1930 8.3864 125.1822 61.4089 37.9164 177.8237 869 T 3.9996 8.1953 116.6177 66.2357 68.4308 176.2506 870 V 3.6143 8.8843 121.0474 66.3619 31.6139 178.0311 871 L 4.1855 7.5001 117.7776 58.8540 42.4041 177.9232 872 L 4.1060 8.6585 123.5504 57.9520 41.9234 179.1412 873 E 4.5432 8.2384 120.3990 54.5355 29.0415 179.7156 874 K 4.6343 7.7308 118.6822 57.6504 37.6361 175.3673 875 T 4.5177 8.5841 111.4542 62.2663 69.5513 173.7611 876 F 4.6989 8.3808 123.2501 60.2136 40.6160 176.5447 877 I 3.4428 7.5073 121.1299 61.5130 36.3431 180.9148 878 K 4.3617 7.5842 123.8604 59.0945 32.2331 178.8874 879 P 4.3448 0.0000 0.0000 65.3413 31.3504 178.1865 880 L 3.0204 7.6346 120.4816 57.5505 41.7328 178.8080 881 E 4.3396 7.0999 118.8877 58.7015 29.4898 179.2980 882 G 3.7146 7.5600 105.9631 47.8296 0.0000 175.7254 883 F 4.7336 7.6595 118.8990 60.9075 39.3903 177.1803 884 T 3.8384 7.9587 109.3510 65.0135 68.0583 176.0092 885 S 4.0277 8.3761 117.7787 60.4608 63.1211 176.5894 886 A 4.4005 7.5348 122.4108 50.9872 18.8680 177.3559 887 A 4.2123 8.3196 121.5973 52.6063 23.3697 177.1716 888 K 3.7533 7.7789 117.0985 58.0113 30.9257 174.3939 889 L 4.8842 7.3405 116.3807 53.0011 45.6135 176.6678 890 D 4.4249 9.3835 121.1834 52.4442 42.9197 176.5613 891 Y 4.1858 7.6115 124.6776 58.2989 38.4125 175.5267 892 E 4.8002 7.2686 119.6928 54.2292 30.9100 181.3724 893 K 4.1881 8.9092 129.3637 53.5908 31.4016 175.2545 894 K 3.8398 8.6892 126.4235 54.1899 31.9887 173.4954 895 A 3.5265 7.1893 124.9468 52.9869 18.4962 177.9849 *896 S 4.2804 8.4101 113.2805 58.4575 63.0638 174.5066 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 K 8.17 4.27 0.00 1.70 1.52 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 3 E 5.90 4.83 0.00 2.09 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 2.24 2.32 0.00 4 F 7.68 5.75 0.00 2.96 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.06 4.99 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 6 L 9.76 4.95 0.00 1.36 1.08 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.73 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 V 8.36 4.56 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 0.86 0.00 0.00 0.73 0.00 0.00 9 E 8.59 4.59 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 10 Q 8.83 4.30 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.02 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 11 I 8.03 3.79 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 1.35 0.54 0.91 0.00 0.00 12 G 9.64 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 13 D 8.14 4.19 0.00 2.85 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 14 S 7.13 5.67 0.00 4.11 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 15 I 7.99 4.15 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 1.27 0.69 0.91 0.00 0.00 *16 F 7.96 4.68 0.00 1.97 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 0.00 0.00 0.00 0.00 17 E 8.67 5.21 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 18 R 8.52 4.69 0.00 1.47 1.82 0.00 3.21 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 *19 Y 8.53 5.09 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.15 4.47 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.55 0.00 0.00 21 D 9.33 4.75 0.00 2.74 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 22 S 8.81 4.75 0.00 3.95 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 23 N 7.33 4.47 0.00 2.78 2.55 0.00 0.00 6.77 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 24 G 8.07 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 0.00 0.00 0.00 25 R 8.03 4.18 0.00 1.75 1.88 0.00 3.29 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 26 E 8.67 5.69 0.00 1.91 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 2.01 1.70 0.00 27 R 8.42 4.15 0.00 1.82 1.80 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.00 28 T 8.53 4.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 R 8.39 5.48 0.00 2.16 2.26 0.00 3.14 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 30 E 7.90 4.57 0.00 2.01 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 2.23 1.87 0.00 31 V 8.89 4.08 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 1.00 0.00 0.00 0.89 0.00 0.00 32 E 8.81 4.35 0.00 2.03 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 2.20 2.22 0.00 *33 Y 8.23 4.47 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.18 4.45 0.00 1.74 1.62 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.95 7.81 35 P 0.00 4.39 0.00 1.71 1.16 0.00 3.85 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.43 0.00 36 S 7.35 5.50 0.00 3.85 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 37 L 7.55 5.31 0.00 1.25 2.10 0.75 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.51 5.38 0.00 2.92 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 39 A 8.80 5.25 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 40 H 9.12 4.60 0.00 3.18 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.46 4.93 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.57 0.00 2.25 2.23 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 43 E 8.65 4.13 0.00 2.11 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 2.25 0.00 44 S 8.34 4.12 0.00 3.86 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 45 Q 7.69 4.41 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 46 A 7.94 4.24 1.41 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 0.00 0.00 0.00 47 T 8.25 4.59 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 1.35 0.00 0.00 48 K 8.62 3.54 0.00 1.96 1.84 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.01 7.81 49 Y 8.01 4.73 0.00 3.29 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 50 F 8.71 5.74 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.09 5.43 0.00 2.94 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 52 I 8.91 3.60 1.27 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.40 0.63 0.00 0.00 53 Y 7.88 4.04 0.00 2.93 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 54 G 8.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.42 3.99 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.24 7.81 56 P 0.00 5.00 0.00 2.24 2.09 0.00 3.29 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.84 0.00 57 C 7.59 5.30 0.00 3.40 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 58 T 8.36 4.84 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 1.22 0.00 0.00 59 R 8.29 3.70 0.00 0.75 1.39 0.00 3.09 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 60 K 7.99 4.54 0.00 1.45 1.59 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.25 7.81 61 L 8.00 5.28 0.00 1.28 1.48 0.77 0.69 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 62 F 8.42 4.60 0.00 2.75 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.82 4.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.84 5.73 0.00 2.98 3.02 0.00 0.00 6.81 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 *66 R 8.34 4.52 0.00 1.88 1.89 0.00 3.25 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 67 D 7.83 4.88 0.00 2.54 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 68 A 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0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.03 0.00 0.00 227 Y 7.98 3.90 0.00 3.30 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 0.00 228 N 8.33 4.33 0.00 2.73 2.93 0.00 0.00 6.57 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 0.00 229 R 7.29 3.70 0.00 1.15 1.56 0.00 3.28 0.00 0.00 3.25 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 230 I 7.81 4.30 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 1.16 0.92 0.91 0.00 0.00 231 K 7.99 4.86 0.00 1.73 1.70 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.20 7.81 232 N 7.90 4.93 0.00 2.68 2.83 0.00 0.00 6.86 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 I 8.04 3.75 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 1.27 0.62 0.91 0.00 0.00 *234 F 7.47 4.80 0.00 2.27 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 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5.33 0.00 4.13 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 P 0.00 4.23 0.00 2.27 2.21 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 245 H 9.01 3.95 0.00 3.14 3.49 0.00 6.05 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 R 7.56 4.16 0.00 1.93 1.82 0.00 3.27 0.00 0.00 3.11 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 247 K 7.61 4.47 0.00 1.39 1.69 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 0.98 7.81 248 T 8.79 5.09 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 249 R 8.25 4.71 0.00 1.47 1.64 0.00 3.23 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 250 V 8.48 4.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.78 0.00 0.00 251 K 7.79 4.56 0.00 1.72 1.52 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.26 1.25 7.81 252 V 8.12 4.42 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 0.77 0.00 0.00 0.92 0.00 0.00 *261 E 8.71 3.85 0.00 1.92 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 2.21 1.88 0.00 262 I 7.45 3.47 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 1.27 1.03 0.91 0.00 0.00 263 I 7.18 4.22 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 1.27 1.16 0.91 0.00 0.00 264 T 7.86 4.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 265 L 8.26 4.99 0.00 1.90 1.89 0.97 0.96 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 *266 F 8.67 4.64 0.00 2.27 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 0.00 0.00 0.00 267 G 10.59 4.18 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 2.00 1.93 0.00 309 I 8.14 3.99 1.90 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 1.55 1.44 0.92 0.00 0.00 310 S 8.06 4.26 0.00 3.88 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 0.00 311 K 7.39 4.42 0.00 1.62 1.76 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.29 7.81 312 L 7.11 4.19 0.00 1.71 1.61 0.92 0.85 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 0.00 313 R 7.95 4.57 0.00 1.78 1.89 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 314 E 8.55 3.90 0.00 2.02 1.62 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 2.24 1.90 0.00 315 S 8.84 3.96 0.00 3.95 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 0.00 316 N 8.22 4.72 0.00 2.67 2.79 0.00 0.00 6.72 7.90 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 *317 H 8.22 4.40 0.00 2.83 3.10 0.00 7.23 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 Q 8.19 4.32 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.74 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 319 R 7.40 4.64 0.00 1.97 1.83 0.00 3.17 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 *320 Y 7.77 4.53 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 321 I 7.43 3.93 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 1.52 0.53 0.91 0.00 0.00 322 S 8.03 4.55 0.00 4.05 3.89 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 0.00 323 Y 8.25 4.24 0.00 3.04 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 0.00 324 N 8.00 4.62 0.00 2.82 3.00 0.00 0.00 7.18 7.82 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 0.00 325 I 7.09 3.87 1.85 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 1.52 0.80 0.88 0.00 0.00 326 I 7.56 3.68 2.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.05 0.89 0.00 0.00 327 A 7.86 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 328 V 7.29 3.68 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.05 0.00 0.00 329 Y 7.80 4.50 0.00 3.13 3.23 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 0.00 330 R 8.14 3.67 0.00 1.91 1.78 0.00 3.23 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 331 V 7.70 3.37 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 1.15 0.00 0.00 1.03 0.00 0.00 332 L 7.83 4.12 0.00 1.59 1.66 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 333 Q 7.47 3.88 0.00 2.09 1.92 0.00 0.00 0.00 0.00 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 2.37 2.32 0.00 759 S 8.62 4.48 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 760 L 7.78 4.68 0.00 1.61 1.61 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 761 Q 8.08 4.99 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 762 E 8.02 4.20 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 763 Y 8.87 4.61 0.00 3.02 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 0.00 764 F 8.54 4.56 0.00 3.12 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 0.00 765 K 7.83 4.32 0.00 1.70 1.79 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.18 7.81 766 E 7.29 4.29 0.00 2.19 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 775 N 8.78 4.24 0.00 2.62 2.50 0.00 0.00 6.95 7.56 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 0.00 776 Y 8.19 4.04 0.00 3.19 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 0.00 777 I 6.71 3.17 1.77 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.34 0.81 0.00 0.00 778 S 7.63 4.41 0.00 4.01 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 0.00 779 I 8.69 4.33 2.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.47 1.02 0.00 0.00 *861 D 7.31 4.38 0.00 2.68 2.50 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 0.00 862 V 7.51 3.51 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 863 L 7.73 3.69 0.00 1.55 1.64 0.54 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 864 H 7.25 3.96 0.00 2.95 2.67 0.00 5.75 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 W 7.46 4.52 0.00 3.25 2.90 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 *867 D 8.49 4.40 0.00 2.73 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 0.00 868 Y 8.39 4.19 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 869 T 8.20 4.00 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 1.27 0.00 0.00 870 V 8.88 3.61 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.10 0.00 0.00 871 L 7.50 4.19 0.00 1.90 2.06 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 872 L 8.66 4.11 0.00 2.21 1.79 0.28 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 873 E 8.24 4.54 0.00 2.05 1.82 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 2.26 2.12 0.00 874 K 7.73 4.63 0.00 1.70 1.99 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.43 7.81 875 T 8.58 4.52 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 1.42 0.00 0.00 876 F 8.38 4.70 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 I 7.51 3.44 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 1.27 0.56 0.91 0.00 0.00 878 K 7.58 4.36 0.00 1.76 1.82 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.13 7.81 879 P 0.00 4.34 0.00 1.96 2.22 0.00 3.49 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 880 L 7.63 3.02 0.00 1.13 1.24 0.83 0.17 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 0.00 881 E 7.10 4.34 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 882 G 7.56 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 F 7.66 4.73 0.00 2.98 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 0.00 884 T 7.96 3.84 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 1.20 0.00 0.00 885 S 8.38 4.03 0.00 4.06 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 0.00 886 A 7.53 4.40 1.63 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 0.00 0.00 887 A 8.32 4.21 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 888 K 7.78 3.75 0.00 1.77 1.76 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.39 7.81 889 L 7.34 4.88 0.00 1.50 1.42 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 890 D 9.38 4.42 0.00 2.60 2.36 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 0.00 891 Y 7.61 4.19 0.00 2.64 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 0.00 892 E 7.27 4.80 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 893 K 8.91 4.19 0.00 1.67 1.81 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.01 7.81 894 K 8.69 3.84 0.00 1.77 1.76 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.01 7.81 895 A 7.19 3.53 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 *896 S 8.41 4.28 0.00 3.61 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.