NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.2811 8.4345 115.2916 58.1822 63.4801 173.9898 6 D 4.6188 8.4423 125.8986 51.6041 41.3481 172.1926 7 L 4.7447 8.6665 118.3694 53.7633 44.6364 176.7476 8 I 3.9061 8.1194 123.8441 60.4420 37.7262 174.4398 9 P 4.3336 0.0000 0.0000 62.3334 31.8343 176.1336 10 A 3.8809 8.3773 125.3896 51.1948 19.0461 175.8021 11 P 4.3464 0.0000 0.0000 61.1773 32.6607 174.6036 12 P 4.2830 0.0000 0.0000 62.7066 31.8916 177.7927 13 L 3.8746 8.5003 123.3184 58.2331 41.8912 180.4803 14 S 4.1038 7.9170 114.3458 60.7162 62.2971 179.8464 15 K 3.9604 7.7274 119.7305 57.6994 32.1108 176.4757 16 V 4.1158 6.8081 118.3429 60.4801 31.8849 173.6441 17 P 4.4209 0.0000 0.0000 62.4323 31.9819 174.8033 18 L 4.8712 7.8923 121.7807 52.8437 44.3141 175.7568 19 Q 4.0523 8.7343 127.8925 56.6405 29.5241 175.6502 20 Q 3.9585 8.8005 128.4825 56.3180 29.6291 175.2077 21 N 4.1450 8.7831 125.1581 54.4451 36.7629 172.7188 22 F 4.4337 8.1073 120.6534 57.9750 40.6617 174.7112 23 Q 4.2956 8.7373 128.2478 54.2414 29.6364 176.3668 24 D 4.5921 8.4165 127.0123 56.4198 39.6155 178.1561 25 N 4.3949 8.0018 117.2380 55.8290 37.5384 176.8726 26 Q 4.0519 7.7498 119.0816 58.4146 28.9130 177.7522 27 F 4.8624 8.1728 123.4068 60.5252 39.8511 176.4570 28 Q 4.4865 7.7882 117.6835 54.1291 28.9122 181.6790 29 G 3.6511 7.0225 108.3086 44.4584 0.0000 170.2477 30 K 4.6473 7.7800 122.5130 54.3723 34.0093 176.9314 31 W 4.6944 9.0961 127.0474 55.0547 32.9359 173.9788 32 Y 4.8299 9.0122 123.3915 57.2220 39.4288 177.0360 33 V 4.4553 8.5834 127.0983 62.2147 29.0609 173.8408 34 V 3.9529 8.3143 125.7520 62.7560 32.6056 176.1179 35 G 4.1923 7.9846 105.2269 45.1675 0.0000 172.7806 36 L 5.0466 8.9907 121.6230 53.7915 45.2696 174.4469 37 A 5.1260 9.6079 126.8885 50.3145 21.9798 174.9815 38 G 3.8240 8.2349 107.1219 45.3977 0.0000 174.2374 39 N 4.0865 7.4668 117.6216 54.6186 37.3313 175.9287 40 A 4.5171 7.5381 118.9711 51.7800 19.8750 176.4608 41 I 4.1096 7.0088 119.3094 61.3906 38.0427 176.1889 42 L 4.6509 8.1280 123.2568 53.9856 44.4594 177.2441 43 R 4.3707 8.3865 127.4078 54.6514 27.1896 172.6778 44 E 4.1716 7.3511 118.2749 56.6531 31.2124 175.9292 *48 P 4.2546 0.0000 0.0000 63.2609 32.4126 175.3672 49 Q 4.3119 8.2929 127.0357 55.2706 28.8788 173.7744 50 K 4.5826 8.5241 125.3186 55.4497 32.9346 177.1501 51 M 4.3914 8.8482 127.4253 56.5467 33.0942 175.4972 *52 Y 5.0350 8.6129 123.7948 55.6119 42.1336 172.7335 53 A 5.2045 8.5533 119.6432 51.1690 22.6443 175.5252 54 T 4.9867 8.9266 119.1149 62.4070 72.0516 173.7921 55 I 4.6401 8.9185 129.5245 59.8467 37.1590 172.4420 *56 Y 4.0754 9.4953 133.0643 56.3726 35.8978 170.3491 *57 E 4.2705 8.4096 121.7834 55.5323 30.0671 174.6112 58 L 4.1428 8.3262 127.5800 53.6448 42.0100 176.6092 59 K 4.1899 8.9398 129.3920 56.6643 32.6939 179.1243 60 E 4.0711 8.5910 116.2923 58.6012 29.7734 177.4190 61 D 4.7093 8.1376 118.0705 54.3608 39.5665 177.9874 62 K 3.9211 7.6812 118.1416 55.3990 30.2230 179.0181 63 S 4.8297 7.6831 114.4197 58.6037 65.0311 172.1681 64 Y 4.8663 8.9929 121.5740 56.9139 40.1869 176.2163 *65 N 4.9243 9.5698 127.3643 51.7441 36.3276 169.7521 66 V 3.9577 8.0646 124.3083 62.4603 33.1305 174.4469 67 T 4.9762 8.5528 121.8965 60.3053 70.8575 172.4482 68 S 5.1256 8.8611 124.2890 56.7199 65.9239 173.3866 69 V 4.3438 8.6212 126.3664 62.2037 32.4603 174.5931 70 L 5.0447 8.7793 128.3875 52.8666 44.7678 175.4197 71 F 5.3588 8.9946 128.4241 57.7794 40.3737 176.3843 72 R 3.9144 9.3327 128.2122 56.6214 32.7495 172.4615 73 K 3.7972 8.3625 129.9265 55.7001 28.5896 172.5549 74 K 4.4048 7.5379 116.2848 54.2102 33.6347 177.8184 75 K 4.6040 7.8013 120.4832 55.8286 34.5329 175.9026 76 C 5.5134 8.6008 116.8528 55.9210 42.6725 173.6297 77 D 4.9247 9.1338 127.2157 53.7967 42.7056 176.4264 *78 Y 4.9540 8.5783 125.5072 56.1812 38.9319 174.2548 *79 W 4.4446 8.6475 131.9303 55.8339 29.6325 173.4217 80 I 4.8126 8.2994 125.4764 58.1543 37.0519 171.4908 81 R 4.8482 9.3474 124.7879 54.2721 35.5461 173.9219 82 T 4.8724 8.2989 115.1019 62.0409 72.4601 173.1497 83 F 5.6985 9.3106 125.6948 56.0679 41.3342 174.7910 84 V 4.8071 9.1167 124.6432 60.4290 33.4544 173.3077 85 P 4.5634 0.0000 0.0000 63.5157 31.6079 176.9022 86 G 4.0346 8.1105 112.6954 46.2226 0.0000 174.5988 87 S 4.3119 9.0459 116.8563 61.3751 63.4746 174.3729 88 Q 4.6710 7.9537 118.2850 52.9193 31.1081 173.4791 89 P 4.3807 0.0000 0.0000 63.9571 32.0377 176.8715 90 G 2.8509 8.3488 110.6630 44.4921 0.0000 172.6900 91 E 4.7268 7.1021 118.8495 55.0922 31.5915 175.4593 92 F 5.4428 8.9045 121.0797 56.1781 44.0005 173.7460 93 T 5.0327 9.3311 111.8686 59.6091 72.0814 172.9637 94 L 4.6580 8.6204 125.1476 54.8564 42.7292 176.5707 95 G 3.8049 9.6626 115.4473 46.5528 0.0000 173.3150 96 N 4.3349 8.8528 120.5845 53.9792 36.1908 175.9439 97 I 3.9562 7.7576 118.8454 64.1155 38.7672 177.7277 98 K 4.0710 8.2553 121.2049 59.9082 32.1491 178.9867 99 S 4.1386 7.7432 114.4658 60.8229 62.6337 177.5042 100 Y 4.2656 7.7314 118.8098 56.8287 37.7904 173.2752 101 P 4.3705 0.0000 0.0000 63.5851 32.3481 175.8595 102 G 3.9970 9.0948 111.0546 45.3583 0.0000 172.5645 103 L 4.3536 7.2442 120.4989 55.0791 41.5790 175.8299 104 T 4.4829 8.4714 117.5593 63.0826 70.3819 175.4761 105 S 4.9104 7.8839 115.9537 56.9696 67.6611 172.6994 106 Y 5.1119 8.3464 122.3197 56.5101 41.8289 173.5476 107 L 4.8224 8.7421 127.9215 53.2965 46.2499 174.9070 108 V 4.5487 8.5472 124.6227 61.0056 34.9796 174.3506 109 R 4.4367 8.6921 127.7703 54.4965 33.2690 174.1738 110 V 3.6144 8.2076 128.4337 62.9743 31.7237 176.6664 111 V 4.0048 9.2734 129.8063 64.5232 31.6070 176.1897 112 S 4.8013 7.5177 113.3891 57.4759 66.1091 172.4748 113 T 4.8274 9.0340 117.7151 60.9701 70.4063 172.7793 114 N 4.6791 8.3397 123.7929 52.2501 37.8834 176.3543 115 Y 4.2912 8.0506 120.8231 59.0945 37.8508 170.1952 116 N 4.6004 8.6950 117.9525 55.3433 39.6876 176.3394 117 Q 4.6568 8.2649 117.1197 57.0904 29.9213 177.2873 118 H 5.4380 9.1282 113.9629 54.2672 32.9905 171.3214 119 A 4.7519 8.6152 117.7008 51.3332 23.0339 175.3130 120 M 5.1033 9.0888 122.7018 54.1477 35.6888 175.6370 121 V 4.5310 8.2124 122.8625 59.3409 35.5953 170.7887 122 F 4.9216 9.2851 129.3201 56.0211 41.1245 174.2803 123 F 4.8492 8.7419 127.6597 56.1402 41.3901 175.2569 124 K 4.8587 8.0935 127.2474 53.5203 35.4839 171.6779 125 A 4.6259 8.5432 119.7925 51.4242 23.5660 175.5467 126 V 4.8420 8.5025 124.2379 61.6284 33.4006 174.8738 127 S 5.0294 9.1545 125.5856 57.4655 65.7289 175.1159 128 Q 3.6356 9.2164 124.1087 56.2816 25.6635 170.0951 129 N 4.3770 8.4472 110.3028 54.4835 36.6091 174.5672 130 R 4.3542 7.8988 119.8349 54.8693 32.2819 175.4600 131 E 4.6366 8.6503 121.6893 56.2824 29.9686 172.0636 132 Y 4.9307 9.2345 124.5397 56.0610 40.6284 175.0773 133 F 5.4645 8.9575 115.4594 56.2990 41.8091 172.9187 134 K 4.8277 8.9762 117.8671 56.2920 36.3782 174.2409 135 I 5.4295 9.9942 122.6835 59.8253 40.7694 174.6801 136 T 5.1756 8.5481 116.0368 58.8947 71.5922 173.0028 137 L 4.4155 8.0676 130.9119 54.5866 42.2346 175.4045 *138 Y 4.6395 8.9226 127.5391 57.1381 38.4468 172.8998 139 G 4.7137 9.2006 108.7246 44.5232 0.0000 173.9998 140 R 3.9058 8.6278 123.1867 58.5819 30.7249 177.3584 141 T 4.4529 7.7972 107.8792 60.1081 70.6504 174.4467 142 K 3.8942 8.2417 121.6537 57.9584 32.3751 177.2710 143 E 4.8060 7.5805 115.9441 55.0052 33.8122 180.2900 144 L 4.6196 8.0326 118.4804 54.9237 44.7088 176.2500 *145 T 4.3342 8.2787 113.2085 61.6107 69.3260 177.3902 *146 S 4.4865 8.5003 118.7693 58.5060 60.5744 173.0817 *147 E 5.9800 8.1806 135.0000 56.9618 31.8357 177.8542 *151 N 4.8277 7.7034 118.2301 52.2250 40.7184 177.7188 152 F 4.8726 8.3827 110.5770 57.7920 38.2547 177.4913 153 I 3.4408 7.6192 124.4863 65.1282 36.6201 178.8270 154 R 3.9430 7.9551 121.2880 61.2559 28.9685 181.8179 155 F 4.5800 8.0736 120.2687 61.3368 39.4949 177.5329 156 S 4.1852 8.1190 117.0800 62.0845 62.4572 177.4763 157 K 4.3246 8.4943 128.0910 58.9399 31.2234 181.0061 158 S 4.4017 7.4779 110.3790 60.1145 63.2742 174.7634 159 L 4.1587 7.0409 120.4629 54.3642 41.3521 177.1780 160 G 3.7875 8.0264 108.8175 46.1852 0.0000 174.1855 161 L 4.5046 7.6348 120.8494 51.8639 41.7593 179.3239 162 P 4.5578 0.0000 0.0000 61.4037 32.6062 177.3142 163 E 4.1546 8.4558 113.0802 57.4635 30.1955 174.7418 164 N 4.4273 8.1511 116.4505 57.0526 39.7046 173.7670 165 H 5.0824 7.7006 111.7281 53.7044 28.0373 172.6067 166 I 4.8192 7.3854 119.9709 60.2810 39.9631 175.3305 167 V 4.2551 9.3625 130.0863 62.0386 33.6404 175.3548 *168 F 4.9261 8.5829 128.0590 54.3184 38.4489 171.6143 169 P 4.5710 0.0000 0.0000 63.0016 32.3687 177.3024 170 V 3.9430 8.7272 121.9929 60.6599 32.4767 174.3368 171 P 4.8713 0.0000 0.0000 61.8478 32.1702 175.3070 172 I 4.6543 8.1800 116.3633 60.5541 40.7289 175.1438 173 D 4.7441 8.4530 117.1341 52.8536 40.8910 174.4342 174 Q 4.1175 7.6472 118.9811 56.5732 27.9855 177.4391 175 C 4.4603 9.1415 123.2645 57.8573 39.4776 175.6910 176 I 3.8554 7.9464 112.2975 63.6166 37.5182 177.2867 177 D 4.5839 8.2865 120.2898 55.7785 41.5767 176.4101 178 G 3.7546 7.5275 110.7418 46.3147 0.0000 172.9765 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 5 S 8.43 4.28 0.00 3.85 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 6 D 8.44 4.62 0.00 2.81 2.44 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 7 L 8.67 4.74 0.00 1.47 1.44 0.25 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.12 3.91 1.93 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 1.45 0.48 1.05 0.00 0.00 9 P 0.00 4.33 0.00 2.02 1.97 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 10 A 8.38 3.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.35 0.00 1.85 1.72 0.00 3.10 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.33 0.00 12 P 0.00 4.28 0.00 2.09 1.94 0.00 3.45 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 13 L 8.50 3.87 0.00 1.73 1.64 0.92 0.86 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 14 S 7.92 4.10 0.00 3.63 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 15 K 7.73 3.96 0.00 1.84 1.77 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.45 1.24 7.81 16 V 6.81 4.12 1.68 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 0.57 0.00 0.00 0.05 0.00 0.00 17 P 0.00 4.42 0.00 2.16 1.92 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 18 L 7.89 4.87 0.00 1.51 1.45 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.73 4.05 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.62 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 20 Q 8.80 3.96 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 21 N 8.78 4.15 0.00 2.89 2.86 0.00 0.00 7.16 7.02 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 22 F 8.11 4.43 0.00 3.00 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 23 Q 8.74 4.30 0.00 1.14 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.59 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 24 D 8.42 4.59 0.00 3.21 3.27 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 25 N 8.00 4.39 0.00 2.88 2.98 0.00 0.00 6.05 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 26 Q 7.75 4.05 0.00 1.27 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.16 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 27 F 8.17 4.86 0.00 3.32 3.59 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 28 Q 7.79 4.49 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 29 G 7.02 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 30 K 7.78 4.65 0.00 1.85 1.42 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.00 7.81 31 W 9.10 4.69 0.00 3.28 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 32 Y 9.01 4.83 0.00 3.19 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 33 V 8.58 4.46 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 0.64 0.00 0.00 0.93 0.00 0.00 34 V 8.31 3.95 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 0.86 0.00 0.00 0.93 0.00 0.00 35 G 7.98 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.99 5.05 0.00 1.86 1.66 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.61 5.13 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 38 G 8.23 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 0.00 0.00 0.00 39 N 7.47 4.09 0.00 2.61 2.56 0.00 0.00 6.81 7.16 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 40 A 7.54 4.52 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 41 I 7.01 4.11 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.89 0.94 0.00 0.00 42 L 8.13 4.65 0.00 1.60 1.38 0.92 0.76 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 43 R 8.39 4.37 0.00 1.86 1.78 0.00 3.22 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 44 E 7.35 4.17 0.00 1.97 1.76 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 2.17 1.85 0.00 *48 P 0.00 4.25 0.00 2.10 2.19 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 49 Q 8.29 4.31 0.00 1.77 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.14 0.00 0.00 0.00 0.00 0.00 2.36 1.96 0.00 50 K 8.52 4.58 0.00 1.94 1.88 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.44 1.01 7.81 51 M 8.85 4.39 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 *52 Y 8.61 5.04 0.00 1.99 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 0.00 0.00 0.00 0.00 53 A 8.55 5.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.93 4.99 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 1.24 0.00 0.00 55 I 8.92 4.64 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 1.09 0.81 0.91 0.00 0.00 *56 Y 9.50 4.08 0.00 1.96 2.23 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 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 1.91 0.00 132 Y 9.23 4.93 0.00 3.02 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 0.00 133 F 8.96 5.46 0.00 3.04 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.98 4.83 0.00 1.99 1.85 0.00 1.27 0.00 0.00 1.62 0.00 0.00 2.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.38 1.63 7.81 135 I 9.99 5.43 2.30 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.30 1.40 0.00 0.00 136 T 8.55 5.18 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 1.39 0.00 0.00 137 L 8.07 4.42 0.00 0.27 0.98 0.92 1.00 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 *138 Y 8.92 4.64 0.00 2.01 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 0.00 0.00 0.00 139 G 9.20 4.71 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 0.00 140 R 8.63 3.91 0.00 1.61 1.82 0.00 2.61 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.52 0.00 141 T 7.80 4.45 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 1.22 0.00 0.00 142 K 8.24 3.89 0.00 1.54 1.67 0.00 1.41 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.56 0.38 7.81 143 E 7.58 4.81 0.00 1.85 1.65 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 2.15 2.10 0.00 144 L 8.03 4.62 0.00 1.61 1.40 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *145 T 8.28 4.33 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 *146 S 8.50 4.49 0.00 3.62 3.72 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 *147 E 8.18 5.98 0.00 2.05 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 1.99 1.61 0.00 *151 N 7.70 4.83 0.00 2.76 2.81 0.00 0.00 6.97 7.43 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 0.00 152 F 8.38 4.87 0.00 3.33 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 0.00 153 I 7.62 3.44 1.80 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 1.41 0.14 0.82 0.00 0.00 154 R 7.96 3.94 0.00 1.81 1.94 0.00 3.24 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 155 F 8.07 4.58 0.00 3.13 3.35 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 0.00 156 S 8.12 4.19 0.00 3.88 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 0.00 157 K 8.49 4.32 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.18 7.81 158 S 7.48 4.40 0.00 3.91 4.04 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 0.00 159 L 7.04 4.16 0.00 1.58 1.39 0.48 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.03 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 0.00 161 L 7.63 4.50 0.00 1.56 1.57 0.92 1.30 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 0.00 162 P 0.00 4.56 0.00 2.18 2.23 0.00 3.76 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 163 E 8.46 4.15 0.00 2.01 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 2.23 1.86 0.00 164 N 8.15 4.43 0.00 2.72 2.49 0.00 0.00 6.69 7.89 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 0.00 165 H 7.70 5.08 0.00 3.56 3.50 0.00 5.45 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 0.00 166 I 7.39 4.82 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 0.77 0.00 0.00 167 V 9.36 4.26 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 0.96 0.00 0.00 1.00 0.00 0.00 *168 F 8.58 4.93 0.00 2.07 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 0.00 0.00 0.00 169 P 0.00 4.57 0.00 2.12 2.15 0.00 4.02 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 170 V 8.73 3.94 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 0.71 0.00 0.00 0.93 0.00 0.00 171 P 0.00 4.87 0.00 1.89 1.94 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 172 I 8.18 4.65 2.11 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 1.34 0.66 1.02 0.00 0.00 173 D 8.45 4.74 0.00 2.71 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 0.00 174 Q 7.65 4.12 0.00 1.16 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 5.82 0.00 0.00 0.00 0.00 0.00 1.65 2.08 0.00 175 C 9.14 4.46 0.00 3.11 3.24 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 0.00 176 I 7.95 3.86 2.13 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 1.36 0.75 1.04 0.00 0.00 177 D 8.29 4.58 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 7.53 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.