NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3544 8.1227 123.5933 52.2280 19.6858 177.2490 3 M 3.8454 9.0078 112.8031 58.4913 32.5364 177.2626 4 F 4.4119 9.9538 121.5347 61.4926 40.4551 175.7733 5 E 3.9671 8.3520 117.8387 59.5263 29.3668 178.2781 6 Q 4.1556 7.5456 115.2253 56.6017 28.4630 177.0197 *8 R 4.0301 8.1721 119.6707 56.3301 31.9597 177.3194 9 A 3.8660 7.8133 118.8319 55.1763 18.3114 178.8527 10 N 4.1092 7.9097 114.9264 56.8479 39.0093 176.9626 11 V 3.3625 7.4354 119.1771 65.8026 31.2880 177.9757 12 G 3.4907 7.8614 104.6987 47.6113 0.0000 175.2759 13 K 4.0243 7.9945 122.0144 58.9934 32.1757 178.6098 14 L 3.8383 7.9741 120.8578 58.2747 41.8073 179.0580 15 L 3.9443 7.7570 117.1917 57.1290 41.5538 179.1375 16 K 4.2366 7.6683 117.3210 58.8024 32.5252 176.1815 17 G 4.3578 7.7979 108.0609 43.4158 0.0000 172.9628 18 I 4.0424 8.1533 111.4172 62.3483 37.9108 176.9721 19 D 4.5047 7.9212 121.1022 56.5296 40.5441 177.7464 20 R 3.8107 7.1032 115.4699 58.0700 29.3889 177.1677 21 Y 4.8018 7.3504 116.1013 56.9244 38.6856 174.5493 22 N 4.7213 7.9494 121.3229 51.3797 39.3036 173.7511 23 P 4.0208 0.0000 0.0000 65.1844 30.8999 177.8304 24 E 3.9926 8.3557 118.0205 58.7685 29.6031 177.6925 25 N 4.6373 8.0637 115.3752 53.3983 38.7818 176.8555 26 L 3.8517 7.7804 122.3742 57.7113 41.5920 178.8004 27 A 4.0306 8.1170 120.1816 55.8366 18.2200 179.7681 28 T 3.8540 7.7663 113.3490 66.7937 68.6639 177.0208 29 L 4.0610 7.8960 120.9427 57.7548 41.5957 179.4601 30 E 4.0810 8.9550 119.0813 59.4124 29.3970 179.5514 31 R 4.0458 7.9598 118.1881 59.1800 30.1181 178.4594 32 Y 4.2924 7.9187 119.2592 60.6234 38.7625 178.1351 33 V 3.5416 7.9131 119.3238 66.0412 31.6762 177.8147 34 E 3.9918 8.3326 118.3677 59.7823 29.2734 179.3260 35 T 3.9776 8.0542 113.0869 64.9622 66.9814 176.4695 36 Q 3.6723 7.8829 119.9689 58.5812 28.7052 178.5366 37 A 3.9960 7.9172 121.7108 55.0960 18.2920 179.6262 38 K 3.8994 7.8110 116.6025 59.4970 32.4792 178.1382 39 E 4.2011 8.1152 115.3906 55.3368 30.4211 175.4490 40 N 3.9954 8.0098 115.9771 54.6903 37.1065 172.4494 41 A 4.3736 7.6400 119.8146 50.6977 21.8282 175.7588 42 Y 4.9208 7.2621 117.2392 57.3132 41.8087 173.6228 43 D 4.5522 7.6031 124.7446 51.7871 42.4024 175.0905 44 L 3.5302 7.8560 126.8135 57.6407 42.2267 177.5706 45 E 3.8157 8.1487 118.3336 59.4418 29.4608 178.5663 46 A 3.9323 8.2331 120.4976 55.3020 18.4806 179.4000 47 N 4.2780 8.0337 114.8866 56.4007 38.4825 177.7273 48 L 3.9771 8.2626 120.5954 57.5126 41.6517 179.3304 49 A 3.8002 7.8134 120.9712 54.8001 18.2347 179.9513 50 V 3.1228 7.4903 116.8092 66.0502 31.6120 178.2236 51 L 3.9069 7.6166 118.7038 57.6236 41.3908 179.5035 52 K 3.5591 8.0378 119.6756 59.3486 32.0589 178.8214 53 L 3.8811 7.6815 119.2312 57.9743 41.2295 179.2224 54 Y 4.5540 7.5861 115.8293 61.2438 37.9278 177.8905 55 Q 4.2507 8.1701 119.5259 59.3388 29.2811 177.9849 56 F 4.8009 8.4102 117.7027 58.9177 40.5653 175.6282 57 N 5.2506 8.4745 115.5120 50.0878 38.9984 172.7360 58 P 4.3602 0.0000 0.0000 65.7497 32.1080 178.8246 59 A 4.0966 8.1132 119.0934 54.5254 18.3589 177.9272 60 F 4.4217 8.5184 113.3308 57.6821 39.5970 175.9002 61 F 2.8059 7.6430 122.7828 58.5163 39.5076 174.5910 62 Q 4.1746 5.7400 127.5973 53.9472 31.0548 175.7555 63 T 3.6681 8.1126 124.5646 66.9970 68.6109 176.6241 64 T 3.8141 7.7872 116.9424 66.7000 68.5628 176.7527 65 V 3.8555 8.1056 121.5323 65.7819 31.5520 178.1802 66 T 3.9272 7.9460 115.2433 66.6033 68.2172 176.5134 67 A 4.0901 8.2232 122.8135 55.3519 18.4209 179.7700 68 Q 3.9566 8.4288 116.7842 58.9676 28.7082 178.9545 69 I 3.9112 8.0367 121.0100 64.4264 37.1893 178.4998 70 L 4.2179 8.1480 119.7683 57.8888 41.6222 179.6152 71 L 4.1501 8.2969 119.1189 57.8549 41.3360 179.7754 72 K 4.0688 8.4022 117.5845 59.2519 32.2383 178.8963 73 A 4.5823 8.2534 122.6196 54.7662 18.3648 179.6679 74 L 3.6204 8.0541 117.6989 57.8827 41.4309 179.6209 75 T 3.7706 7.4862 107.9279 63.4753 68.8629 174.8822 76 N 4.5883 7.6055 119.4999 52.4126 39.0287 174.3075 77 L 4.2209 6.6810 119.0497 54.2489 42.2245 175.4557 78 P 4.3536 0.0000 0.0000 63.8030 31.2349 176.1716 79 H 4.6853 7.8871 117.5664 56.0623 29.3230 176.0624 80 T 4.3569 8.4510 109.8818 62.5512 68.5981 175.7469 81 D 4.4753 7.7517 122.2953 58.1572 41.1029 178.5694 82 F 4.3526 8.3327 120.0496 61.9139 39.4396 177.1642 83 T 3.7569 7.9258 114.7066 66.4618 68.0863 176.5769 84 L 3.9930 7.8558 120.0681 57.9557 41.7129 178.9809 85 C 4.2639 7.8986 115.5836 62.8631 28.1587 176.0261 86 K 4.0292 7.4717 118.3973 59.2450 31.7490 179.5797 87 C 4.4243 7.4934 117.0520 58.3306 28.2147 173.7908 *89 I 3.9465 7.3944 120.5968 60.9685 38.0801 176.4361 90 D 4.6525 8.3768 125.7050 52.6642 41.5119 177.1106 91 Q 3.9053 8.6407 120.1633 59.4622 28.6844 178.2474 92 A 3.9167 7.9323 119.6963 55.8067 18.7906 178.9332 93 H 4.3193 8.4544 115.7546 58.2866 28.6053 178.0998 94 Q 4.1357 8.1963 119.9235 58.5539 28.3076 177.7361 95 E 4.2661 7.9154 117.3283 56.4200 30.4263 176.5768 96 E 4.4067 7.3307 119.5206 54.9704 30.8432 175.7949 97 R 4.3973 8.3830 122.3552 56.0064 30.9174 174.8653 98 P 5.6665 0.0000 0.0000 62.5463 31.6953 177.4332 99 I 3.7787 7.7263 122.0351 64.8293 37.0024 177.9843 100 R 4.2012 8.3235 121.2549 59.1077 29.9722 178.6189 101 Q 4.1312 8.1060 117.2699 59.1326 28.6993 178.7415 102 I 3.8564 8.1492 120.9801 64.4307 37.0715 178.5424 103 L 4.3575 8.4357 120.1066 57.8636 41.5417 178.9363 104 Y 4.1911 8.2589 119.6720 60.7227 38.9097 178.0886 105 L 3.9554 8.2610 120.0429 57.7592 41.7765 179.7098 106 G 3.2584 8.4214 105.9038 47.6593 0.0000 175.0693 107 D 4.7872 8.2490 121.8748 56.6662 41.1426 178.4524 108 L 3.9119 7.5118 118.9684 57.6481 41.5047 179.5910 109 L 3.8907 7.5568 118.5243 57.7994 41.4191 179.2798 110 E 4.0225 8.5570 119.1640 59.4293 29.1936 178.6413 111 T 4.3441 7.8174 106.5745 60.9929 69.1523 174.1455 112 C 3.1915 7.7086 117.4617 61.2188 26.5866 174.6535 113 H 4.3580 7.7872 118.4377 54.3378 26.2934 175.2038 114 F 4.5168 7.3727 123.7839 60.5038 39.3244 176.7608 115 Q 4.2444 8.3128 116.9792 59.1682 28.5546 178.6545 116 A 4.0885 8.1086 121.2127 54.9336 18.4067 179.2237 117 F 3.9539 8.2536 119.2030 61.4110 39.3016 177.3901 118 W 4.2293 8.1233 119.6289 60.3682 28.8964 179.0158 119 Q 4.2134 8.1517 119.5597 60.3154 27.7770 180.6271 120 A 4.5737 8.0548 121.5726 52.9884 18.4596 177.2312 121 L 3.7757 7.2072 119.4322 54.6299 41.5701 176.9095 122 D 4.6005 8.4323 126.9927 53.3435 39.3418 174.9617 123 E 3.9839 8.6043 124.5265 58.7923 29.8434 177.4362 124 N 4.5185 7.7577 117.2789 52.6664 39.3546 173.9032 *126 D 4.9674 8.5613 124.7568 54.5617 42.7818 178.0548 127 L 4.0258 7.9216 116.6390 57.6451 42.1296 178.7662 128 L 3.9676 7.7852 118.1923 57.2686 42.1607 178.7112 129 E 3.9645 8.2215 118.3575 59.4392 29.4475 179.3197 130 G 3.8289 7.9279 104.7860 47.0636 0.0000 174.2847 131 I 4.1220 7.3043 122.0890 59.5541 35.6167 174.0037 132 T 4.0032 8.3948 120.1279 65.1167 69.0382 174.8892 133 G 3.9730 9.0654 112.7489 46.2966 0.0000 174.6886 134 F 4.0429 8.3145 122.8475 61.5404 39.3866 177.1286 135 E 4.1923 8.4940 117.3300 59.7725 29.3735 179.0610 136 D 4.6259 8.2207 118.3609 57.3297 40.8640 178.8394 137 S 4.1386 8.3668 116.1859 61.5045 62.8186 176.7533 138 V 3.3160 7.4195 120.9207 66.0286 31.0896 178.3103 139 R 3.5906 7.6616 117.3144 58.9098 29.6569 179.1956 140 K 4.2655 7.8205 119.7922 58.8329 32.0289 179.1662 141 F 4.2531 7.9405 120.8238 61.3498 39.2913 177.2017 142 I 2.6614 7.3590 119.3426 64.3397 36.6892 178.2917 143 C 4.2635 8.0490 117.6700 62.5765 27.7783 175.6933 144 H 4.1138 7.8949 120.2496 59.1877 29.4546 177.5461 145 V 3.3979 7.4953 120.1009 65.8353 31.4135 178.1099 146 V 3.7558 8.1180 118.6270 66.0229 31.1325 178.2500 147 G 3.7832 8.2520 104.1205 47.1906 0.0000 174.8307 148 I 4.1704 7.0495 120.3037 62.5089 37.9514 177.0406 149 T 4.3167 7.9073 107.7453 60.8846 69.7111 173.9268 150 Y 4.6394 7.3234 118.6914 56.5540 41.6500 174.9040 151 Q 4.4324 8.5668 120.4162 56.8437 30.7919 175.3229 152 H 5.3182 7.9899 112.6388 54.2227 33.2096 172.8062 153 I 4.5750 8.2049 119.6532 59.3510 41.9334 173.7724 154 D 4.7012 8.8551 128.2605 54.4362 41.9033 176.9631 155 R 3.9297 8.8473 125.8810 59.4285 30.2481 178.5966 156 W 4.3924 8.3285 127.6704 60.3825 30.5579 177.5589 157 L 3.8149 7.7202 119.3545 57.9642 41.6146 178.3362 158 L 3.9149 7.7027 118.9459 58.1244 42.3279 178.4995 159 A 4.1761 7.8915 120.4630 54.9881 18.1789 179.6606 160 E 3.8110 7.8609 113.6693 57.1171 29.0335 178.4041 *162 L 4.1383 7.7832 117.0257 54.0969 43.2627 177.2372 163 G 2.3847 7.4175 107.2802 45.5445 0.0000 173.6519 164 D 4.2387 7.6102 114.0770 54.7601 39.0908 172.5234 165 L 4.4750 7.7367 119.9919 53.7510 43.5101 178.1016 166 S 4.4833 8.7016 116.6290 57.8418 65.3048 174.9294 167 D 4.3374 8.5150 120.6673 57.4429 40.6521 178.0415 168 S 4.1130 7.9508 112.5512 61.4966 62.8805 175.7292 169 Q 4.1864 8.1916 120.8536 58.7079 28.4613 178.1957 170 L 4.1345 8.1792 121.4959 58.3521 41.9017 179.0982 171 K 3.9976 7.9580 117.1707 59.5298 32.2112 179.0721 172 V 3.6638 7.6504 118.1899 65.5398 31.3571 178.4426 173 W 4.0282 7.9158 117.7515 57.0474 28.7224 178.3382 *175 S 4.3080 8.2230 114.8152 58.1958 63.5474 175.4646 176 K 3.5955 7.7920 120.2375 58.8578 32.1248 176.7983 177 Y 4.0100 7.5306 114.4027 56.8728 37.9239 176.0997 178 G 3.7907 7.3415 107.4915 46.3987 0.0000 173.8834 179 W 5.2694 8.0724 118.6894 55.4579 30.6410 176.2044 180 S 4.9662 8.6167 117.6408 56.3401 66.2654 173.1273 181 A 4.2559 8.9573 126.2189 53.4890 18.4934 175.8466 182 D 4.6802 10.0474 121.7212 52.9796 42.9084 175.8769 183 E 4.4989 8.1072 118.2709 56.4247 33.0174 178.4548 *186 Q 4.2103 7.6449 114.9050 56.1081 30.1359 173.6677 187 I 4.6364 8.1103 120.6841 60.3505 38.0396 175.1929 188 F 4.4183 9.5022 131.0957 58.6516 39.8212 174.1773 189 I 3.4095 7.6443 124.9597 62.1759 38.3199 175.1670 190 C 4.5309 7.3972 121.3635 57.4446 35.5339 173.2815 191 S 4.5724 8.5957 118.3538 57.7493 64.2010 175.0703 192 Q 4.4578 8.9840 123.4742 58.8889 28.6325 178.1724 193 E 4.0416 8.1719 117.0058 59.0698 29.5345 178.0400 194 E 4.2019 7.9277 119.4735 58.6548 29.8946 178.4467 195 S 4.1655 8.1458 114.5814 60.9812 62.8854 176.1828 196 I 3.8830 7.4432 115.0560 61.8352 37.7166 176.5803 197 K 4.0687 7.1543 121.3165 55.4669 32.3626 174.7828 198 P 4.4278 0.0000 0.0000 62.3654 31.7372 175.8141 199 K 4.5869 8.3448 122.2206 54.0131 35.1897 175.9113 200 N 4.5390 8.7769 121.7203 53.3692 39.1780 175.4133 201 I 3.9869 8.4682 123.7943 63.7113 37.6388 176.3897 202 V 4.7197 7.3869 117.1021 60.7937 34.6607 175.2936 203 E 4.3583 9.3664 125.3110 56.4193 30.2293 176.3342 204 K 4.7791 8.4576 121.1424 54.6677 34.3571 176.5742 205 I 4.1623 8.3105 117.4839 60.7121 38.9776 174.4060 206 D 4.7042 8.3882 119.6032 51.0680 43.6111 175.7933 207 F 4.0627 8.9497 120.6266 61.7527 39.1188 176.4466 208 D 4.2677 8.3983 118.3582 57.4737 40.4853 178.9541 209 S 4.0812 8.1145 112.8702 61.4549 63.0618 176.2612 210 V 3.6596 7.9112 122.2197 65.6834 31.1573 178.1672 211 S 3.8648 7.8900 112.8371 61.1748 62.5213 176.1112 212 S 4.2268 7.5809 116.2707 60.9763 62.3928 176.4874 213 I 3.8849 7.1171 113.2168 61.1215 36.7612 177.2803 *215 A 4.2316 7.7205 125.9513 53.8202 20.7464 178.3104 216 S 4.3505 8.0805 115.4299 58.3117 62.2722 176.6133 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 A 8.12 4.35 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 3 M 9.01 3.85 0.00 2.15 2.17 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 2.64 2.68 0.00 4 F 9.95 4.41 0.00 2.99 3.25 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 5 E 8.35 3.97 0.00 2.17 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 2.52 2.37 0.00 6 Q 7.55 4.16 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 *8 R 8.17 4.03 0.00 1.62 1.87 0.00 2.82 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 9 A 7.81 3.87 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 10 N 7.91 4.11 0.00 2.74 2.67 0.00 0.00 6.74 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.44 3.36 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 0.58 0.00 0.00 0.04 0.00 0.00 12 G 7.86 3.49 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 0.00 0.00 0.00 13 K 7.99 4.02 0.00 1.82 1.91 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 14 L 7.97 3.84 0.00 1.76 1.70 0.81 0.79 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 15 L 7.76 3.94 0.00 1.69 1.60 0.85 0.80 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 16 K 7.67 4.24 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.66 7.81 17 G 7.80 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.15 4.04 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.65 1.03 0.00 0.00 19 D 7.92 4.50 0.00 2.63 2.69 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 20 R 7.10 3.81 0.00 1.73 1.95 0.00 2.95 0.00 0.00 2.77 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 21 Y 7.35 4.80 0.00 3.14 3.03 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 22 N 7.95 4.72 0.00 2.71 2.77 0.00 0.00 6.87 8.16 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 23 P 0.00 4.02 0.00 1.08 1.91 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 24 E 8.36 3.99 0.00 2.00 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 2.39 2.48 0.00 25 N 8.06 4.64 0.00 2.75 2.73 0.00 0.00 6.83 6.25 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 26 L 7.78 3.85 0.00 1.68 1.75 0.71 0.43 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 27 A 8.12 4.03 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 28 T 7.77 3.85 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29 L 7.90 4.06 0.00 1.77 1.67 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.95 4.08 0.00 2.02 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 2.42 2.60 0.00 31 R 7.96 4.05 0.00 2.01 2.04 0.00 3.16 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 32 Y 7.92 4.29 0.00 3.09 3.14 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 0.00 33 V 7.91 3.54 2.29 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 1.00 0.00 0.00 1.09 0.00 0.00 34 E 8.33 3.99 0.00 2.23 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 2.67 2.50 0.00 35 T 8.05 3.98 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 1.45 0.00 0.00 36 Q 7.88 3.67 0.00 2.31 2.19 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 2.04 2.18 0.00 37 A 7.92 4.00 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 38 K 7.81 3.90 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 39 E 8.12 4.20 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 40 N 8.01 4.00 0.00 2.79 2.80 0.00 0.00 6.88 7.96 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 41 A 7.64 4.37 -0.17 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 42 Y 7.26 4.92 0.00 2.81 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 43 D 7.60 4.55 0.00 2.87 2.56 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 44 L 7.86 3.53 0.00 1.63 1.54 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.15 3.82 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 46 A 8.23 3.93 1.57 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 0.00 0.00 47 N 8.03 4.28 0.00 2.82 2.85 0.00 0.00 7.06 6.71 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 48 L 8.26 3.98 0.00 1.74 1.64 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.81 3.80 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 50 V 7.49 3.12 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 0.41 0.00 0.00 0.85 0.00 0.00 51 L 7.62 3.91 0.00 1.82 1.71 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.04 3.56 0.00 1.62 1.68 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.51 0.28 7.81 53 L 7.68 3.88 0.00 1.60 1.54 0.72 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 54 Y 7.59 4.55 0.00 3.22 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 55 Q 8.17 4.25 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.54 2.75 0.00 56 F 8.41 4.80 0.00 3.02 3.08 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 57 N 8.47 5.25 0.00 3.09 3.13 0.00 0.00 6.81 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 58 P 0.00 4.36 0.00 2.25 2.23 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 59 A 8.11 4.10 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 60 F 8.52 4.42 0.00 3.37 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.64 2.81 0.00 2.95 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 62 Q 5.74 4.17 0.00 1.73 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 63 T 8.11 3.67 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 1.26 0.00 0.00 64 T 7.79 3.81 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 65 V 8.11 3.86 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 1.26 0.00 0.00 1.08 0.00 0.00 66 T 7.95 3.93 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 1.42 0.00 0.00 67 A 8.22 4.09 1.40 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 76 N 7.61 4.59 0.00 2.42 2.82 0.00 0.00 7.04 6.21 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 77 L 6.68 4.22 0.00 0.82 0.13 0.09 0.58 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 78 P 0.00 4.35 0.00 2.26 2.62 0.00 3.58 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 79 H 7.89 4.69 0.00 3.41 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.45 4.36 4.27 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 1.33 0.00 0.00 81 D 7.75 4.48 0.00 3.04 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 82 F 8.33 4.35 0.00 2.99 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 83 T 7.93 3.76 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 1.19 0.00 0.00 84 L 7.86 3.99 0.00 1.78 1.72 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0.00 2.12 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 2.37 2.54 0.00 111 T 7.82 4.34 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 112 C 7.71 3.19 0.00 2.75 2.26 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 0.00 113 H 7.79 4.36 0.00 3.11 3.20 0.00 5.82 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 0.00 114 F 7.37 4.52 0.00 3.18 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 0.00 115 Q 8.31 4.24 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 116 A 8.11 4.09 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 0.00 117 F 8.25 3.95 0.00 3.10 3.09 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 0.00 118 W 8.12 4.23 0.00 3.38 3.21 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 0.00 119 Q 8.15 4.21 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 120 A 8.05 4.57 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 0.00 121 L 7.21 3.78 0.00 0.93 1.60 0.81 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.43 4.60 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.60 3.98 0.00 2.03 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 2.45 2.60 0.00 124 N 7.76 4.52 0.00 2.68 2.75 0.00 0.00 7.24 8.14 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 *126 D 8.56 4.97 0.00 2.76 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 0.00 127 L 7.92 4.03 0.00 1.56 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.79 3.97 0.00 1.65 1.62 0.87 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.22 3.96 0.00 2.13 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 0.00 2.35 2.28 0.00 130 G 7.93 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 0.00 131 I 7.30 4.12 1.85 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 1.29 1.12 1.05 0.00 0.00 132 T 8.39 4.00 4.33 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 1.23 0.00 0.00 133 G 9.07 3.97 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 0.00 0.00 0.00 134 F 8.31 4.04 0.00 3.36 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 0.00 135 E 8.49 4.19 0.00 2.30 2.26 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 2.69 2.96 0.00 136 D 8.22 4.63 0.00 2.87 3.14 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 0.00 137 S 8.37 4.14 0.00 3.81 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 0.00 138 V 7.42 3.32 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 0.46 0.00 0.00 0.13 0.00 0.00 139 R 7.66 3.59 0.00 1.14 0.66 0.00 3.10 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.77 0.00 140 K 7.82 4.27 0.00 2.11 2.05 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.95 1.94 7.81 141 F 7.94 4.25 0.00 2.91 3.08 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 0.00 142 I 7.36 2.66 1.48 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 -0.30 -0.02 0.12 0.00 0.00 143 C 8.05 4.26 0.00 2.49 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 0.00 0.00 0.00 144 H 7.89 4.11 0.00 3.30 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.50 3.40 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 0.98 0.00 0.00 0.39 0.00 0.00 146 V 8.12 3.76 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 0.25 0.00 0.00 0.74 0.00 0.00 147 G 8.25 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.05 4.17 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.66 0.92 0.00 0.00 149 T 7.91 4.32 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 1.18 0.00 0.00 150 Y 7.32 4.64 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.57 4.43 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 152 H 7.99 5.32 0.00 3.01 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.20 4.57 1.38 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 0.85 0.97 0.49 0.00 0.00 154 D 8.86 4.70 0.00 2.83 2.56 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 0.00 155 R 8.85 3.93 0.00 1.96 1.97 0.00 3.26 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 156 W 8.33 4.39 0.00 3.38 3.38 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 0.00 157 L 7.72 3.81 0.00 1.59 1.80 0.86 0.99 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 0.00 158 L 7.70 3.91 0.00 1.51 1.79 0.74 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.89 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 160 E 7.86 3.81 0.00 2.12 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 2.46 2.10 0.00 *162 L 7.78 4.14 0.00 1.42 1.31 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 163 G 7.42 2.38 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 0.00 164 D 7.61 4.24 0.00 2.68 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 0.00 165 L 7.74 4.47 0.00 1.70 1.59 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.70 4.48 0.00 4.06 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 0.00 167 D 8.51 4.34 0.00 2.72 2.70 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 0.00 168 S 7.95 4.11 0.00 3.91 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 0.00 169 Q 8.19 4.19 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 170 L 8.18 4.13 0.00 1.83 1.95 1.03 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 171 K 7.96 4.00 0.00 2.01 1.90 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.60 7.81 172 V 7.65 3.66 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 0.54 0.00 0.00 0.90 0.00 0.00 173 W 7.92 4.03 0.00 3.67 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *175 S 8.22 4.31 0.00 3.88 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 0.00 176 K 7.79 3.60 0.00 1.47 1.77 0.00 1.20 0.00 0.00 1.47 0.00 0.00 2.62 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.57 0.96 7.81 177 Y 7.53 4.01 0.00 1.43 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 0.00 0.00 0.00 0.00 178 G 7.34 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 0.00 179 W 8.07 5.27 0.00 3.40 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 0.00 180 S 8.62 4.97 0.00 4.12 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 0.00 181 A 8.96 4.26 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 0.00 182 D 10.05 4.68 0.00 2.64 2.37 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 0.00 183 E 8.11 4.50 0.00 1.95 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 2.12 1.86 0.00 *186 Q 7.64 4.21 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 187 I 8.11 4.64 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.22 0.92 0.00 0.00 188 F 9.50 4.42 0.00 3.12 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 0.00 189 I 7.64 3.41 1.57 0.00 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.41 0.47 0.00 0.00 190 C 7.40 4.53 0.00 2.76 2.69 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 0.00 191 S 8.60 4.57 0.00 4.17 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 0.00 192 Q 8.98 4.46 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 193 E 8.17 4.04 0.00 2.18 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 2.32 2.40 0.00 194 E 7.93 4.20 0.00 2.18 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 0.00 2.31 2.36 0.00 195 S 8.15 4.17 0.00 4.05 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 0.00 196 I 7.44 3.88 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 1.58 0.60 0.97 0.00 0.00 197 K 7.15 4.07 0.00 1.86 1.80 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.47 7.81 198 P 0.00 4.43 0.00 2.18 2.07 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 199 K 8.34 4.59 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.60 7.81 200 N 8.78 4.54 0.00 2.76 2.97 0.00 0.00 7.17 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 0.00 201 I 8.47 3.99 1.93 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 1.29 0.32 1.00 0.00 0.00 202 V 7.39 4.72 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 0.92 0.00 0.00 1.11 0.00 0.00 203 E 9.37 4.36 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 204 K 8.46 4.78 0.00 1.65 1.74 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.44 7.81 205 I 8.31 4.16 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.56 0.93 0.00 0.00 206 D 8.39 4.70 0.00 2.96 2.83 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 0.00 207 F 8.95 4.06 0.00 3.17 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 0.00 208 D 8.40 4.27 0.00 3.02 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 0.00 209 S 8.11 4.08 0.00 4.01 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 0.00 210 V 7.91 3.66 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 1.00 0.00 0.00 0.96 0.00 0.00 211 S 7.89 3.86 0.00 3.57 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 0.00 212 S 7.58 4.23 0.00 3.94 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 0.00 213 I 7.12 3.88 1.84 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 1.38 0.68 0.93 0.00 0.00 *215 A 7.72 4.23 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 0.00 216 S 8.08 4.35 0.00 3.64 3.67 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.