NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.5391 8.0433 120.5715 54.5075 43.9574 174.9825 3 K 4.7117 9.5736 123.4622 54.1237 34.6279 173.5321 4 L 5.1911 9.2588 127.4191 52.9455 45.0182 175.2867 5 A 4.8343 8.9471 125.6227 50.7824 20.4621 175.5823 6 I 4.6228 8.7463 124.1034 59.8579 39.3127 173.8376 7 P 4.8738 0.0000 0.0000 62.3713 31.6323 176.5124 8 K 4.0348 9.4045 126.3307 56.6645 32.8462 177.2418 9 G 4.0495 8.9914 108.1470 44.4364 0.0000 177.2114 *10 R 3.9188 8.9047 119.7930 59.1301 29.4832 175.5755 11 L 4.4160 7.7990 116.0008 54.8030 42.2962 177.6460 12 E 3.8092 7.7713 119.7773 60.1879 29.3612 178.4141 13 E 3.9192 7.9793 118.2845 58.7628 29.8247 178.6927 14 K 3.5834 7.9513 119.4399 59.5022 32.2016 178.5976 15 V 3.5190 7.4692 117.7707 66.3952 31.3543 177.8930 16 M 4.2216 8.2303 120.7636 59.1857 31.7330 179.6261 17 T 3.8785 8.3205 115.0478 66.1011 68.7871 178.6542 18 Y 4.6204 8.0069 120.3246 61.1036 37.8561 178.9029 19 L 4.2542 8.5962 122.6078 58.4236 41.8023 180.2901 *20 K 3.9589 8.4326 123.9765 59.9714 31.4114 181.1580 21 K 4.2820 8.4503 119.2167 59.1936 31.9938 179.2466 22 T 4.1092 7.5810 108.9110 62.7307 68.7686 175.2254 23 G 4.1803 7.5518 110.4874 45.2169 0.0000 174.3842 24 V 3.5428 7.4951 121.2761 62.0175 31.8426 176.8006 *25 I 4.4733 7.6149 118.6618 58.2336 38.0617 174.4802 26 F 5.0304 8.3071 125.1074 56.1135 39.8994 175.3691 27 E 4.6716 9.3275 127.1625 57.4967 31.6585 176.9672 *28 R 4.8456 7.8272 118.2994 55.1642 34.1098 177.8476 29 E 5.0138 8.7202 121.6161 54.1693 32.0386 174.8026 30 S 4.7365 9.3945 120.4604 56.6345 66.3336 175.7387 *31 S 4.4061 8.6807 116.1205 60.1340 62.1222 172.5441 32 I 4.4756 7.2724 109.6160 60.7889 38.8921 174.7498 33 L 5.0402 7.7939 123.2831 53.9371 45.9945 174.3495 34 R 4.7893 8.7543 124.7802 54.1460 33.3768 174.1837 35 E 5.1430 9.0986 122.1585 54.8604 33.1276 175.2621 36 G 4.5694 8.9896 110.1363 46.0488 0.0000 172.8980 37 K 3.8510 8.7599 120.5438 56.2156 31.5653 174.3019 38 D 4.6732 9.0004 121.8349 53.9247 39.8365 173.7953 39 I 4.8340 7.6807 119.8513 59.3237 41.2651 174.4742 40 V 4.7750 8.5953 126.0488 61.1602 34.8217 173.7116 41 C 5.0077 9.2020 125.4684 57.9605 30.9339 172.7024 42 F 5.1851 9.2500 124.0658 56.3970 40.3449 175.2372 43 M 4.8079 8.8206 125.6148 54.5049 31.8316 175.9013 44 V 4.5378 8.5913 117.2071 58.6980 36.2992 175.7305 45 R 4.2806 8.4381 120.2086 55.6414 30.9342 176.1628 46 P 4.2971 0.0000 0.0000 66.2162 31.1565 178.8547 47 F 4.1136 8.3596 113.6246 59.4621 39.1203 176.3290 48 D 4.7756 8.5458 118.4044 54.8851 41.0514 178.3248 49 V 3.7211 7.6891 119.9730 65.8815 31.5466 176.0789 50 P 4.2984 0.0000 0.0000 65.8354 30.9694 178.4583 51 T 3.9713 7.6647 110.9106 64.7368 67.5674 175.2439 52 Y 4.1444 8.1557 117.3801 58.7898 38.8621 175.5677 53 L 4.9707 7.5879 121.9181 54.3797 41.3266 176.1841 54 V 4.4772 7.0692 111.4233 60.2708 36.9077 179.0923 55 H 4.3498 7.8126 118.8368 57.2402 28.6711 176.3673 56 G 4.2076 8.7228 113.6676 46.4543 0.0000 174.6960 57 V 4.0099 8.0903 119.8576 62.4059 32.5482 175.6635 58 A 5.0562 8.0853 123.3068 49.6707 22.2293 175.1973 59 D 5.0316 9.1541 118.8774 54.8771 43.0423 177.0178 60 I 4.9301 7.6183 117.8821 59.4494 41.3326 174.8242 61 G 4.7617 9.1022 112.2244 45.6378 0.0000 170.9657 62 F 5.5299 8.6284 117.5706 55.7486 42.1562 174.5568 63 C 4.7569 8.8787 116.7113 56.9596 33.2606 174.1189 64 G 4.4860 8.4989 108.7315 44.6978 0.0000 174.7092 65 T 3.5592 8.5566 116.9036 66.2381 68.1582 176.2646 66 D 4.3894 8.1469 120.6038 56.7595 39.0451 178.8673 67 V 2.8755 7.4926 119.5411 65.1882 31.2487 177.7947 68 L 3.8573 7.2155 116.7146 57.7800 41.4967 179.2466 69 L 4.0553 8.0591 118.1534 57.1612 41.5922 178.7685 70 E 4.2974 8.3000 119.0425 57.2235 29.9249 176.5296 71 K 4.4366 7.8457 122.4075 54.8650 33.4694 175.9402 *72 E 4.1723 8.8557 123.2084 55.9585 29.7975 172.7322 73 T 4.7329 8.3013 114.3407 58.7378 71.5558 174.3375 74 S 4.5963 8.3633 117.7080 56.2190 62.8058 172.5993 75 L 4.8576 7.7660 126.0224 53.1521 45.4477 176.0643 76 I 3.8257 8.5368 123.7286 61.4149 38.4221 175.2518 77 Q 4.7425 8.3211 125.3280 53.1301 28.6302 173.1594 78 P 4.4493 0.0000 0.0000 65.4058 32.5351 176.0868 79 F 4.8170 6.9118 113.1969 56.2133 40.8107 172.0811 80 F 5.4323 8.2243 113.2093 55.4073 41.4155 173.7927 81 I 4.2843 8.9709 120.6368 59.7005 37.1726 174.9402 82 P 4.5168 0.0000 0.0000 65.5968 31.5225 177.1775 83 T 3.8271 8.1107 111.1955 63.0151 67.2997 173.7552 84 N 4.7100 8.6950 129.1607 52.8370 37.2526 175.3112 *85 I 3.8707 8.1125 121.4830 62.4016 36.2698 175.7180 86 S 4.7578 7.2927 112.4984 58.4549 66.2654 175.4235 87 R 4.9941 8.3790 117.2013 55.1279 34.8463 174.1929 88 M 4.4398 8.7084 122.9957 54.5926 33.4152 175.4389 89 V 4.7411 8.4872 118.6636 59.3732 36.8229 174.0248 90 L 4.8761 8.6074 124.4566 53.9352 43.5370 175.2782 91 A 5.1750 9.3828 127.1496 50.8337 23.4079 174.5352 92 G 4.3102 8.6674 104.5381 44.3951 0.0000 171.0016 93 P 4.7702 0.0000 0.0000 62.4677 32.3689 175.9921 94 K 3.8226 8.9311 125.3030 58.3047 32.2628 176.2198 95 G 4.1171 9.6961 118.3689 46.5181 0.0000 175.4902 *96 R 3.9664 7.7772 117.2069 56.9206 30.0477 183.1749 97 G 3.8650 7.7857 104.4953 45.9997 0.0000 171.9772 98 I 4.1929 8.1244 121.7680 58.7602 38.3558 173.9254 99 P 4.2769 0.0000 0.0000 63.0241 31.8577 176.8131 *100 E 4.2207 8.3965 116.6188 56.8485 31.4059 178.5763 101 G 3.8896 8.0891 108.4089 46.9126 0.0000 175.3202 102 E 4.4349 8.7783 126.4328 55.7114 30.3558 175.0079 103 K 4.4850 8.8045 126.5811 54.8055 34.6130 175.6233 104 R 4.8048 9.5327 125.3013 55.5944 31.4659 175.5558 105 I 5.0644 8.9511 125.6370 59.4180 40.1559 174.9629 106 A 4.9546 8.6831 129.2554 51.7369 20.6912 175.7619 107 T 4.4091 8.5842 113.1329 61.9510 71.3669 173.9581 108 K 4.6227 8.6306 122.4909 55.8253 33.1811 177.3297 109 F 5.0410 7.9401 118.6421 54.4226 39.1769 173.7226 110 P 4.3279 0.0000 0.0000 65.8581 31.5329 178.5376 111 N 4.3625 9.0913 116.7290 56.0450 38.4801 177.3934 112 V 3.7259 8.7904 120.0442 66.5744 31.5971 178.2411 113 T 3.9977 8.2890 115.3755 66.5554 68.2276 176.4720 114 Q 4.0249 8.6525 121.9265 59.4445 29.1518 178.6502 115 R 3.9258 8.2607 119.1021 59.2431 29.9115 178.4359 116 Y 3.9750 8.2999 119.3866 60.9209 38.8682 177.3985 117 C 4.0494 8.7421 117.7372 60.1157 37.7047 175.9779 118 E 3.8805 8.3427 120.3738 59.4820 28.8705 179.6552 119 S 4.0807 7.8303 112.6161 60.5089 63.0603 175.6942 120 K 3.9072 6.9163 120.4518 55.4957 32.0892 177.1018 121 G 3.8228 7.4803 107.0104 45.8543 0.0000 173.1812 122 W 4.9607 7.8167 118.5279 55.4662 31.0221 175.8122 123 H 4.8183 8.7470 120.4572 55.2222 29.5309 174.9406 124 C 5.5537 8.9725 120.3054 55.0687 42.7459 173.8428 125 R 4.5287 9.0713 122.9090 54.8392 31.4024 174.5301 126 I 4.6846 8.3346 127.7723 60.5332 38.5797 175.7699 127 I 4.3874 8.7814 128.4655 58.7062 39.0791 173.1523 128 P 4.8349 0.0000 0.0000 62.5535 32.0071 176.0639 129 L 4.8739 9.0147 123.1155 53.2354 45.9235 177.3364 130 K 4.1066 8.4893 118.5614 56.7485 33.1179 176.4885 131 G 3.7972 8.0197 105.5047 45.7183 0.0000 172.3716 132 S 4.0459 8.0640 111.6434 57.9545 60.5899 174.9250 133 V 3.6637 7.6272 120.0382 65.7804 31.6748 176.0315 134 E 4.0786 8.1948 116.7052 58.6816 29.2511 178.5104 135 L 4.0980 7.9763 121.4428 57.4635 42.0020 178.2546 136 A 3.9725 8.0171 121.1868 54.9697 18.2081 177.7920 137 P 5.0094 0.0000 0.0000 65.2931 31.2123 179.0077 138 I 3.6502 7.6752 116.9701 64.2693 37.1551 176.9482 139 A 4.1011 8.3037 121.0895 52.7112 18.5744 178.2200 140 G 3.9230 7.7772 104.1167 45.4150 0.0000 174.6265 141 L 4.1210 8.0390 123.5139 57.0742 42.4557 176.6738 142 S 4.7225 7.5261 111.0238 56.8677 66.2215 174.0553 143 D 4.4892 8.6538 119.9940 56.3941 41.5923 176.6096 144 L 5.2115 8.3784 116.6431 52.8837 46.7728 175.5608 145 I 5.3914 9.1062 112.5461 58.1390 41.4719 174.6261 146 V 4.7552 8.2616 122.7008 61.6728 33.5067 173.7664 147 D 4.8915 8.6273 126.4064 53.4407 45.4216 173.8585 148 I 4.5426 8.3942 122.0599 61.0019 38.4594 175.6163 149 T 4.3905 9.0316 120.2133 60.6426 70.3555 172.0091 150 E 4.5021 9.1221 125.4249 57.3603 32.4360 176.8143 151 T 4.0936 7.7659 110.0910 62.1365 69.9685 176.0002 152 G 4.2378 8.4185 112.1494 46.0991 0.0000 175.8953 *153 R 3.9213 7.9241 122.5415 61.7184 29.1470 183.8905 154 T 4.0688 7.9028 116.4279 66.3856 68.4149 176.5791 155 L 3.8393 7.7893 120.1969 57.6967 41.8791 179.0128 156 K 3.8621 8.2709 119.8159 59.6703 31.9538 178.0406 157 E 4.2519 8.3583 115.5897 57.7187 29.5906 176.9795 158 N 4.8637 7.3940 115.4838 52.2853 39.2724 174.1055 159 N 4.2194 7.9508 114.7233 54.6454 36.6788 173.4607 160 L 5.2931 8.0050 116.7859 52.8833 44.3826 176.5571 161 E 4.8250 9.1610 121.0225 54.2666 33.1266 175.0829 162 I 4.3904 8.3037 122.1474 61.6166 37.1968 175.8348 163 L 4.5537 8.6170 126.9357 55.5308 43.1797 176.4247 164 D 4.4410 7.6146 114.8432 53.4017 44.5946 174.3175 165 E 4.5208 8.8973 125.4663 55.8127 29.8218 176.0869 166 I 4.1255 8.4911 127.1061 63.4184 37.9000 176.4748 167 F 4.8458 6.9735 113.8511 55.7865 40.5763 173.1730 168 V 4.2059 8.6033 120.7491 62.8118 32.0034 174.9552 169 I 4.5961 8.7804 128.0134 59.9401 39.1869 175.0530 170 R 4.9533 9.1184 125.1628 54.4607 35.0841 174.9655 171 T 4.4971 8.5095 117.5011 63.4688 69.4535 173.7891 172 H 4.9472 9.3557 125.3347 55.1158 30.5007 174.9481 173 V 4.0953 8.2534 123.0182 62.0930 32.2229 175.6223 174 V 4.6520 8.3552 120.7113 59.4780 35.5646 174.7799 175 V 4.7568 8.4506 122.8557 60.7404 35.2339 174.1386 176 N 4.5634 8.9638 126.8799 53.1758 39.2984 173.8751 177 P 4.3167 0.0000 0.0000 65.6032 31.3785 178.7517 178 V 3.5889 7.8645 116.5375 66.3189 31.3778 178.2256 179 S 4.1329 8.1360 114.2998 61.8991 62.4715 176.0123 180 Y 4.1181 8.0750 121.1262 60.2249 38.4912 178.1429 181 R 4.0703 7.5584 118.5803 59.2816 30.6026 178.5392 182 T 4.2463 8.0040 107.4157 62.9173 69.6300 174.6754 183 K 4.6380 8.5409 122.5463 54.7404 33.4909 178.2605 184 R 3.6597 8.4110 122.1082 60.5550 29.9268 177.1048 *185 E 3.9628 8.0138 116.8738 61.2415 29.8366 180.7266 186 E 4.2092 8.0921 120.2313 58.8514 29.6772 178.8906 187 V 3.6379 8.0723 118.5338 66.0714 31.7006 178.1144 188 V 3.6856 8.0367 118.1627 66.0861 31.0275 177.6509 189 S 4.1164 8.6097 113.2128 61.5028 62.1405 176.0366 190 F 4.1855 8.3608 123.0576 61.4014 39.1973 176.9681 191 L 4.0513 8.4447 118.8834 57.9003 41.3694 179.4748 192 E 3.8752 8.3702 118.4055 59.3468 29.4927 179.4427 193 K 3.8138 7.5687 118.1075 59.3117 32.0621 179.1442 194 L 3.6960 7.6072 120.5186 58.1495 42.0283 178.8078 195 Q 3.3609 8.2073 119.8479 58.9066 28.9069 178.1566 196 E 3.8247 8.1365 119.8194 59.2622 29.5616 179.4249 197 V 3.5850 7.5604 118.1669 65.8566 31.3277 178.0682 198 I 3.3748 7.3094 118.5745 65.0241 37.0378 177.2026 199 E 3.7207 7.9252 118.1652 59.2788 29.2360 178.1788 200 H 3.8679 8.1983 119.1108 59.6074 30.5132 174.5265 201 D 4.5728 8.2174 124.1695 54.7665 41.0520 176.2628 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 L 8.04 4.54 0.00 1.48 1.48 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.57 4.71 0.00 1.76 1.75 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.44 7.81 4 L 9.26 5.19 0.00 1.53 1.64 0.59 0.72 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 5 A 8.95 4.83 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.75 4.62 1.88 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 1.32 1.03 0.88 0.00 0.00 7 P 0.00 4.87 0.00 2.13 2.24 0.00 3.83 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 2.03 2.24 0.00 8 K 9.40 4.03 0.00 1.77 1.81 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.55 7.81 9 G 8.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 R 8.90 3.92 0.00 1.84 1.89 0.00 3.26 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 1.56 1.25 0.00 11 L 7.80 4.42 0.00 1.73 1.75 0.99 0.88 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 12 E 7.77 3.81 0.00 2.06 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 2.30 2.32 0.00 13 E 7.98 3.92 0.00 2.09 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 2.35 2.38 0.00 14 K 7.95 3.58 0.00 1.75 1.87 0.00 1.81 0.00 0.00 1.90 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.13 7.81 15 V 7.47 3.52 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 0.16 0.00 0.00 0.79 0.00 0.00 16 M 8.23 4.22 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.96 0.00 17 T 8.32 3.88 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 18 Y 8.01 4.62 0.00 3.14 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 19 L 8.60 4.25 0.00 1.90 1.84 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *20 K 8.43 3.96 0.00 1.72 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 21 K 8.45 4.28 0.00 1.93 1.94 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.65 7.81 22 T 7.58 4.11 4.17 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 1.22 0.00 0.00 23 G 7.55 4.18 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 0.00 0.00 0.00 24 V 7.50 3.54 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 0.29 0.00 0.00 0.42 0.00 0.00 *25 I 7.61 4.47 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 1.41 0.82 0.91 0.00 0.00 26 F 8.31 5.03 0.00 3.07 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 27 E 9.33 4.67 0.00 1.95 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 0.00 2.25 2.30 0.00 *28 R 7.83 4.85 0.00 1.48 1.69 0.00 3.25 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.22 0.00 29 E 8.72 5.01 0.00 1.73 1.72 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 1.88 2.22 0.00 30 S 9.39 4.74 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 S 8.68 4.41 0.00 3.65 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 32 I 7.27 4.48 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.92 0.00 0.00 33 L 7.79 5.04 0.00 1.84 1.50 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.75 4.79 0.00 1.04 0.66 0.00 3.07 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.25 0.00 35 E 9.10 5.14 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 36 G 8.99 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.79 1.66 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.07 4.48 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 0.83 0.00 0.00 0.96 0.00 0.00 55 H 7.81 4.35 0.00 3.23 2.63 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.72 4.21 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 0.00 0.00 0.00 57 V 8.09 4.01 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 0.72 0.00 0.00 0.96 0.00 0.00 58 A 8.09 5.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.15 5.03 0.00 2.62 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 60 I 7.62 4.93 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.78 0.00 0.00 61 G 9.10 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.99 2.07 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.65 0.00 79 F 6.91 4.82 0.00 2.90 3.06 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 80 F 8.22 5.43 0.00 3.10 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.97 4.28 2.09 0.00 0.00 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 1.52 0.48 1.18 0.00 0.00 82 P 0.00 4.52 0.00 2.10 2.16 0.00 3.77 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 2.04 2.01 0.00 83 T 8.11 3.83 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 1.32 0.00 0.00 84 N 8.69 4.71 0.00 2.77 2.80 0.00 0.00 7.00 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 *85 I 8.11 3.87 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 0.62 0.91 0.00 0.00 86 S 7.29 4.76 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 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6.65 7.23 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 0.00 112 V 8.79 3.73 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 1.24 0.00 0.00 1.15 0.00 0.00 113 T 8.29 4.00 4.49 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 1.34 0.00 0.00 114 Q 8.65 4.02 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 115 R 8.26 3.93 0.00 2.11 2.01 0.00 3.20 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 116 Y 8.30 3.97 0.00 3.04 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 0.00 117 C 8.74 4.05 0.00 3.21 3.41 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 0.00 118 E 8.34 3.88 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 119 S 7.83 4.08 0.00 3.87 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 0.00 120 K 6.92 3.91 0.00 0.79 0.74 0.00 1.22 0.00 0.00 1.06 0.00 0.00 2.60 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.21 7.81 121 G 7.48 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 0.00 122 W 7.82 4.96 0.00 3.22 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 0.00 123 H 8.75 4.82 0.00 3.12 3.26 0.00 5.55 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 8.97 5.55 0.00 2.94 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 0.00 125 R 9.07 4.53 0.00 2.00 1.82 0.00 3.15 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 126 I 8.33 4.68 1.92 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 1.43 0.76 0.96 0.00 0.00 127 I 8.78 4.39 1.88 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 1.23 0.79 0.91 0.00 0.00 128 P 0.00 4.83 0.00 1.89 1.94 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 129 L 9.01 4.87 0.00 1.43 1.44 0.90 0.53 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 0.00 130 K 8.49 4.11 0.00 1.67 1.77 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.30 7.81 131 G 8.02 3.80 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 0.00 0.00 0.00 132 S 8.06 4.05 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.63 3.66 2.30 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 1.10 0.00 0.00 0.90 0.00 0.00 134 E 8.19 4.08 0.00 2.20 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 2.36 2.32 0.00 135 L 7.98 4.10 0.00 1.81 1.83 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.02 3.97 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 0.00 137 P 0.00 5.01 0.00 2.17 2.11 0.00 3.94 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 138 I 7.68 3.65 2.00 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 1.53 0.74 0.91 0.00 0.00 139 A 8.30 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.78 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.04 4.12 0.00 1.59 1.83 0.92 0.96 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 0.00 142 S 7.53 4.72 0.00 4.16 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 0.00 143 D 8.65 4.49 0.00 2.67 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 0.00 144 L 8.38 5.21 0.00 1.60 1.67 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 145 I 9.11 5.39 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 1.22 1.98 0.97 0.00 0.00 146 V 8.26 4.76 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 0.72 0.00 0.00 0.82 0.00 0.00 147 D 8.63 4.89 0.00 2.89 2.48 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 0.00 148 I 8.39 4.54 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.59 0.92 0.00 0.00 149 T 9.03 4.39 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 0.00 150 E 9.12 4.50 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 151 T 7.77 4.09 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 1.22 0.00 0.00 152 G 8.42 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 R 7.92 3.92 0.00 1.78 1.95 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 154 T 7.90 4.07 4.25 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 1.22 0.00 0.00 155 L 7.79 3.84 0.00 1.83 1.87 0.91 0.86 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 0.00 156 K 8.27 3.86 0.00 2.01 1.82 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 157 E 8.36 4.25 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 158 N 7.39 4.86 0.00 2.72 2.79 0.00 0.00 6.97 7.88 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 0.00 159 N 7.95 4.22 0.00 2.96 2.88 0.00 0.00 6.85 6.76 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 0.00 160 L 8.00 5.29 0.00 1.61 1.56 0.92 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 0.00 161 E 9.16 4.82 0.00 1.96 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 2.17 2.25 0.00 162 I 8.30 4.39 1.87 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 1.32 0.53 0.97 0.00 0.00 163 L 8.62 4.55 0.00 1.59 1.81 0.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 164 D 7.61 4.44 0.00 2.85 2.47 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 0.00 165 E 8.90 4.52 0.00 1.87 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 2.25 2.26 0.00 166 I 8.49 4.13 1.45 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.04 0.92 0.00 0.00 167 F 6.97 4.85 0.00 3.00 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 0.00 168 V 8.60 4.21 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 0.86 0.00 0.00 0.95 0.00 0.00 169 I 8.78 4.60 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.95 0.00 0.00 170 R 9.12 4.95 0.00 1.37 1.69 0.00 3.46 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 171 T 8.51 4.50 4.43 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 1.44 0.00 0.00 172 H 9.36 4.95 0.00 3.13 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 8.25 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.91 0.00 0.00 174 V 8.36 4.65 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.85 0.00 0.00 175 V 8.45 4.76 1.93 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 1.17 0.00 0.00 0.83 0.00 0.00 176 N 8.96 4.56 0.00 2.89 2.71 0.00 0.00 6.97 7.23 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 0.00 177 P 0.00 4.32 0.00 2.20 2.10 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 178 V 7.86 3.59 2.23 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 1.15 0.00 0.00 0.94 0.00 0.00 179 S 8.14 4.13 0.00 4.09 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 0.00 180 Y 8.08 4.12 0.00 2.94 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 0.00 181 R 7.56 4.07 0.00 2.05 1.96 0.00 3.22 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 182 T 8.00 4.25 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 1.22 0.00 0.00 183 K 8.54 4.64 0.00 1.82 1.76 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.34 7.81 184 R 8.41 3.66 0.00 1.65 1.80 0.00 3.14 0.00 0.00 2.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 *185 E 8.01 3.96 0.00 2.01 1.95 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 2.32 1.94 0.00 186 E 8.09 4.21 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 187 V 8.07 3.64 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 1.24 0.00 0.00 1.05 0.00 0.00 188 V 8.04 3.69 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 0.99 0.00 0.00 1.03 0.00 0.00 189 S 8.61 4.12 0.00 3.96 4.07 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 0.00 190 F 8.36 4.19 0.00 3.15 3.29 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 0.00 191 L 8.44 4.05 0.00 2.01 2.03 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.37 3.88 0.00 2.13 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 0.00 2.31 2.49 0.00 193 K 7.57 3.81 0.00 1.73 1.75 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.52 7.81 194 L 7.61 3.70 0.00 1.13 1.65 0.85 0.90 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 0.00 195 Q 8.21 3.36 0.00 1.17 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 196 E 8.14 3.82 0.00 2.07 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 2.42 0.00 197 V 7.56 3.58 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 1.18 0.00 0.00 0.95 0.00 0.00 198 I 7.31 3.37 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.33 0.75 0.00 0.00 199 E 7.93 3.72 0.00 1.85 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 0.00 2.28 2.26 0.00 200 H 8.20 3.87 0.00 3.20 3.27 0.00 5.83 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.22 4.57 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 * Residues marked with a * may have inaccurate shift predictions.