NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 Y 4.4562 8.1449 118.8949 61.2933 39.5323 175.2027 18 T 2.9089 7.6198 113.2542 64.5160 69.1016 170.9590 19 K 4.4641 8.1340 120.5160 55.6229 36.9797 175.7429 20 G 3.8800 8.7678 112.2238 44.6531 0.0000 171.6606 21 G 3.9087 8.6721 114.2476 45.2086 0.0000 173.3393 22 L 4.6538 8.8484 128.7232 52.5088 42.9209 175.6404 23 R 4.9003 8.5337 121.0166 53.6089 31.8815 177.9588 24 R 3.3072 8.7626 118.4376 59.4557 30.1040 178.2871 25 R 4.2945 7.8328 110.9431 56.7070 29.6510 176.2782 26 D 4.7230 7.7723 117.3300 54.0793 42.0955 176.3114 27 L 3.8501 7.2305 121.1759 53.7045 41.6795 175.4129 28 P 4.4998 0.0000 0.0000 61.7134 32.5255 176.2700 29 A 4.0776 8.4973 121.8690 54.4212 18.7432 177.4109 30 D 4.7198 7.8255 116.4143 51.8323 42.3718 174.8488 31 P 3.3374 0.0000 0.0000 65.7866 30.8048 178.2045 32 L 3.9782 7.8546 117.7431 57.6930 41.3102 179.4691 33 T 3.9743 8.1100 116.5057 66.2456 68.4040 176.4017 34 L 3.7874 7.7878 122.2257 57.1380 41.9423 178.7937 35 F 4.1798 7.8709 120.5730 61.2873 39.4734 176.4301 36 E 3.9374 8.2948 119.0263 59.3349 29.4267 178.7203 37 R 3.8878 7.7587 118.5825 59.2900 30.1011 178.6267 38 W 4.1217 8.1373 118.7849 59.5528 29.1699 178.3980 39 L 3.2711 7.9205 120.7067 57.6725 41.2950 179.2949 40 S 3.9883 8.0318 115.2685 61.6987 62.8838 176.3196 41 Q 4.3198 7.9247 121.2459 58.2898 28.2171 179.1544 42 A 3.5711 7.2552 120.3761 55.3188 18.3748 179.0232 43 C 4.1693 7.5253 115.4732 62.3884 31.9564 175.2874 44 E 4.0545 8.8111 121.1073 58.9439 29.1135 177.7768 45 A 4.6760 8.0930 120.2174 51.3626 18.9775 177.1990 46 K 3.6272 8.6492 117.6153 59.8984 32.5651 178.8767 47 L 3.3002 7.3674 120.7655 54.4802 38.2189 174.5335 48 A 4.1774 8.3441 131.1247 52.6149 20.0108 176.6232 49 D 4.4649 8.7655 121.5056 54.2466 37.5111 173.2275 50 P 4.5466 0.0000 0.0000 65.9300 32.1390 178.1440 51 T 4.6477 8.0985 105.4001 61.8440 69.4690 173.9596 52 A 4.7117 8.3907 126.3734 52.4981 18.9392 177.0730 53 M 4.3838 8.9923 119.3313 53.2458 35.4966 174.4067 54 V 4.3696 7.9280 121.5251 61.7529 32.7143 174.7791 55 V 4.5824 8.4849 128.6939 60.1552 33.5987 174.7441 56 A 5.0432 8.7053 127.2595 50.6106 21.4885 175.6976 57 T 4.8011 8.8625 110.6255 59.9985 73.2423 172.6400 58 V 5.0025 8.0924 120.3174 61.3035 34.6833 174.9452 59 D 4.7358 8.9980 127.7290 51.7868 41.1128 176.7705 60 E 4.0179 8.5221 116.2355 59.0943 29.3562 177.4283 61 H 4.4860 8.3053 115.7297 56.2354 29.2282 176.0750 62 G 4.0250 8.1264 107.2930 44.8378 0.0000 172.8150 63 Q 4.4263 8.2951 122.0720 54.3966 30.1800 173.4778 64 P 5.1764 0.0000 0.0000 62.9647 32.9108 175.0332 65 Y 4.7316 8.9588 117.5083 56.5402 42.3870 174.3787 66 Q 5.1318 8.5836 120.2534 53.2670 32.8206 174.7896 67 R 4.4503 7.8717 114.6329 55.5686 32.1650 173.7215 68 I 4.4916 8.3700 121.9447 61.4977 38.2489 175.5627 69 V 4.5460 8.5759 117.7131 59.9798 36.5753 173.6467 70 L 4.9649 8.4285 122.6205 53.4669 42.9591 176.3399 71 L 4.3140 9.1292 127.1101 55.6788 41.8338 176.4393 72 K 4.6568 9.7100 127.2235 58.2472 33.8308 176.0833 73 H 5.1099 7.8991 117.6367 55.4325 33.7288 171.7713 74 Y 5.3413 7.7062 116.0103 57.4359 40.2181 173.0040 75 D 4.6861 8.3569 120.7534 52.1863 42.3248 175.2037 76 E 4.0483 8.9469 117.8331 59.4598 29.3072 178.5628 77 K 4.1723 9.6953 117.4126 56.8490 32.6753 177.0370 78 G 4.2071 7.0195 106.3825 44.2464 0.0000 171.3155 79 M 4.9055 8.4252 119.3839 53.4609 34.9350 175.6889 80 V 5.2598 8.9212 121.9093 60.3405 34.7237 174.3286 81 F 5.1351 7.8586 120.3892 55.7573 41.5821 172.5509 82 Y 4.9004 8.3288 116.6189 57.0299 40.7438 174.6010 83 T 3.5799 7.5387 114.0821 61.0071 71.4972 171.9559 84 N 4.0674 7.6641 123.7149 53.1987 39.4767 175.4386 85 L 4.1645 7.6758 124.4784 55.7228 41.7051 177.5956 86 G 4.3305 8.1134 107.6397 45.0755 0.0000 174.0950 87 S 4.6160 7.5255 115.3811 56.8259 65.8610 174.9105 88 R 3.8211 8.4790 121.0351 59.2658 29.5163 179.4265 89 K 3.8047 7.6173 117.8472 59.9606 32.6804 178.8780 90 A 3.8454 8.0296 122.4202 55.0541 18.3452 179.1598 91 H 4.1881 8.2912 114.3852 59.1343 28.7525 178.1789 92 Q 3.9895 8.1498 119.9375 58.9660 28.3096 178.7134 93 I 4.4090 8.0012 121.6726 63.9662 37.1485 178.1360 94 E 4.1045 8.2598 118.5580 58.5205 29.2575 178.1266 95 N 4.8632 7.4103 115.0960 52.5392 38.5959 174.5780 96 N 4.8020 8.4285 119.8793 51.0150 41.1910 172.3535 97 P 4.5194 0.0000 0.0000 64.0155 33.0413 176.0685 98 R 4.3542 7.8197 121.1082 56.6886 30.0637 176.3283 99 V 4.6833 8.5539 116.4985 60.1210 36.9751 173.9389 100 S 4.7800 8.3352 113.1571 57.1102 66.0984 172.7044 101 L 5.0474 9.0912 125.3679 52.8190 45.5479 175.4086 102 L 4.8648 8.0306 123.6480 53.4924 45.6052 174.9640 103 F 3.8392 9.0950 126.7338 55.6299 39.6557 173.9441 104 P 4.6697 0.0000 0.0000 60.7711 29.7011 175.7653 105 W 4.9574 7.9659 127.8664 57.8668 30.2500 178.4549 106 H 4.4232 8.2098 115.3145 58.1448 28.2121 177.2982 107 T 3.9291 7.9048 116.6777 66.1617 67.0435 174.8125 108 L 4.4481 8.1108 119.9678 54.1921 41.7596 176.6509 109 E 4.2073 8.0251 115.3056 57.5966 27.0729 174.1313 110 R 5.3176 7.1459 116.0893 54.9293 34.4925 174.4071 111 Q 4.9564 8.8121 118.4105 55.4913 33.2038 172.8810 112 V 4.8370 8.2893 125.4410 61.2851 35.0323 173.5883 113 M 5.1531 8.5520 126.9083 53.6780 35.3911 174.2930 114 V 4.7431 8.7476 125.1260 61.2538 35.0198 173.9767 115 I 4.6895 8.3187 128.6308 59.2841 39.9585 175.2542 116 G 4.8747 7.6559 111.4767 46.2853 0.0000 171.4777 117 K 4.9183 7.9710 119.0575 55.2683 33.7753 176.8291 118 A 4.9334 8.8530 128.2121 50.9106 18.0858 175.6711 119 E 4.2810 8.9022 122.5114 55.8942 31.3770 175.5719 120 R 3.8341 8.5751 127.2913 56.0239 30.6001 176.2168 121 L 4.1450 8.2427 126.9109 54.5171 42.4416 177.1265 122 S 4.2845 8.4309 115.4562 58.2699 63.0302 174.7121 123 T 4.2435 8.2610 112.8045 62.3921 69.2035 175.1502 124 L 4.2649 7.7134 125.2749 57.7827 42.5338 178.5951 125 E 4.1113 8.0033 115.7172 58.7328 29.5927 178.4574 126 V 3.6457 7.6690 117.4488 65.0919 31.8038 175.3155 127 M 4.0339 7.6254 118.8308 55.3436 31.3086 175.2885 *176 S 4.2073 8.2663 121.9732 59.4025 64.3881 175.3955 177 F 4.0394 8.9937 123.7222 58.2655 38.5710 173.7383 178 W 4.4289 8.1165 128.5551 56.3075 32.4551 174.6390 179 G 3.9520 7.0961 119.6621 44.5886 0.0000 172.2138 180 G 3.8603 7.3016 110.4847 45.4167 0.0000 171.0367 181 F 5.0002 7.3883 118.2402 55.1208 43.2414 174.3832 182 R 4.9334 8.7590 121.2943 54.6136 32.8695 174.3512 183 V 4.6817 8.9832 127.4843 61.0866 33.1026 175.5018 184 S 4.7883 8.6840 123.1723 58.3468 64.3535 173.7013 185 L 5.1138 8.3103 121.5778 53.8501 39.7623 175.8753 186 E 4.3430 8.4604 122.5929 58.5401 31.4675 176.2083 187 Q 5.8278 8.2787 115.8094 54.5526 34.1256 174.4002 188 I 4.9135 8.3871 121.2085 60.1588 41.8935 173.5092 189 E 5.3276 9.4044 127.9631 54.3997 33.1157 174.3820 190 F 5.2529 9.4632 122.9615 55.4260 42.5591 173.8022 191 W 5.4610 9.7194 133.3004 55.7787 33.8946 173.8638 192 Q 4.6140 8.8069 127.0416 54.9994 32.5011 173.3765 193 G 3.7711 8.2771 112.0402 42.4065 0.0000 174.6898 194 G 3.7989 7.8844 101.5322 44.8801 0.0000 172.9669 195 E 4.2849 8.5827 126.9117 57.2133 31.5220 174.9902 196 H 4.4143 9.5885 119.8731 54.3294 24.5083 177.9899 197 R 4.5007 8.2331 116.2206 56.6979 32.6984 174.5234 198 L 4.6071 7.3734 121.8516 53.6593 40.3397 176.5878 199 H 3.8550 7.7519 117.6368 56.9480 29.7797 175.7962 200 D 4.4678 8.2575 123.7280 53.9078 42.1924 175.7975 201 R 5.2188 8.0042 121.4320 54.4739 34.4799 174.2130 202 F 5.3573 9.5267 121.6739 55.7853 43.3665 173.2861 203 L 5.2081 9.3510 126.2323 53.7404 44.5496 174.4888 204 Y 4.9185 9.3567 124.1813 56.5444 40.2298 174.2806 205 Q 5.1601 9.3458 127.2862 54.2103 31.1877 174.4756 206 R 4.0473 8.9496 128.5270 56.1151 30.8171 175.7693 207 E 4.4468 9.4103 126.5302 56.1344 33.8406 175.2588 208 N 4.1893 9.6125 121.9377 54.9293 36.0361 173.6786 209 D 4.2757 8.0008 108.6695 54.7591 39.1551 173.8237 210 A 4.4966 7.7055 120.1882 50.6950 22.4472 175.8491 211 W 5.1678 8.5417 119.4234 55.1890 30.5774 176.1382 212 K 4.3757 9.6573 128.2847 55.7263 32.7869 175.4800 213 I 4.8237 8.2766 128.1288 60.1886 39.1795 174.8045 214 D 4.8490 8.7383 123.8504 53.0743 45.7941 174.0762 215 R 4.7255 8.6169 121.6897 55.0854 31.6465 175.2559 216 L 4.8391 8.0631 125.0456 52.7329 44.8988 175.6556 217 A 4.4054 8.3234 122.2273 50.5362 19.8467 175.7993 218 P 4.5021 0.0000 0.0000 63.1825 31.3845 176.5929 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 17 Y 8.14 4.46 0.00 3.13 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 18 T 7.62 2.91 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 19 K 8.13 4.46 0.00 1.58 1.59 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.36 7.81 20 G 8.77 3.88 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 0.00 0.00 0.00 21 G 8.67 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.85 4.65 0.00 1.80 1.80 1.03 1.32 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 23 R 8.53 4.90 0.00 2.08 2.06 0.00 2.86 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 24 R 8.76 3.31 0.00 1.89 1.98 0.00 3.18 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 25 R 7.83 4.29 0.00 1.88 2.00 0.00 2.98 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 26 D 7.77 4.72 0.00 2.56 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 27 L 7.23 3.85 0.00 1.53 1.40 0.28 0.33 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 28 P 0.00 4.50 0.00 2.08 1.95 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 29 A 8.50 4.08 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 30 D 7.83 4.72 0.00 2.76 2.53 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 31 P 0.00 3.34 0.00 1.41 0.49 0.00 3.01 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 1.12 0.44 0.00 32 L 7.85 3.98 0.00 1.95 2.03 1.13 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.11 3.97 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 1.17 0.00 0.00 34 L 7.79 3.79 0.00 1.14 0.82 0.47 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.87 4.18 0.00 3.02 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 36 E 8.29 3.94 0.00 2.50 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 2.43 2.43 0.00 37 R 7.76 3.89 0.00 1.99 1.98 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 38 W 8.14 4.12 0.00 3.63 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 39 L 7.92 3.27 0.00 0.94 1.31 1.08 1.04 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 40 S 8.03 3.99 0.00 3.85 3.84 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 41 Q 7.92 4.32 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 42 A 7.26 3.57 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.53 4.17 0.00 2.99 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 44 E 8.81 4.05 0.00 2.19 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 2.31 2.30 0.00 45 A 8.09 4.68 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.65 3.63 0.00 1.89 1.96 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 47 L 7.37 3.30 0.00 1.90 2.06 0.98 0.70 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 48 A 8.34 4.18 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 49 D 8.77 4.46 0.00 2.97 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 50 P 0.00 4.55 0.00 2.12 2.11 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 51 T 8.10 4.65 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 52 A 8.39 4.71 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 53 M 8.99 4.38 0.00 0.66 1.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.35 0.00 54 V 7.93 4.37 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 0.83 0.00 0.00 0.79 0.00 0.00 55 V 8.48 4.58 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 0.42 0.00 0.00 0.73 0.00 0.00 56 A 8.71 5.04 1.18 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 57 T 8.86 4.80 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 1.11 0.00 0.00 58 V 8.09 5.00 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 0.92 0.00 0.00 0.93 0.00 0.00 59 D 9.00 4.74 0.00 2.90 2.76 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 60 E 8.52 4.02 0.00 2.00 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 2.16 2.01 0.00 61 H 8.31 4.49 0.00 3.32 3.40 0.00 5.62 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 62 G 8.13 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 0.00 0.00 0.00 63 Q 8.30 4.43 0.00 2.24 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.99 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 64 P 0.00 5.18 0.00 2.06 2.00 0.00 3.68 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 1.87 1.93 0.00 65 Y 8.96 4.73 0.00 2.86 2.79 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 66 Q 8.58 5.13 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 67 R 7.87 4.45 0.00 1.76 1.95 0.00 3.18 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 68 I 8.37 4.49 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.47 0.87 0.00 0.00 69 V 8.58 4.55 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 0.44 0.00 0.00 0.17 0.00 0.00 70 L 8.43 4.96 0.00 1.69 1.75 1.03 1.09 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 71 L 9.13 4.31 0.00 1.94 2.01 1.18 0.97 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 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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 0.83 0.00 0.00 0.95 0.00 0.00 81 F 7.86 5.14 0.00 3.14 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 82 Y 8.33 4.90 0.00 3.09 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 83 T 7.54 3.58 4.40 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 1.24 0.00 0.00 84 N 7.66 4.07 0.00 3.17 2.69 0.00 0.00 6.90 6.66 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 85 L 7.68 4.16 0.00 1.39 1.53 0.78 0.50 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 86 G 8.11 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 0.00 0.00 0.00 0.00 87 S 7.53 4.62 0.00 4.09 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 88 R 8.48 3.82 0.00 1.77 1.82 0.00 2.63 0.00 0.00 3.21 7.58 0.00 0.00 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0.00 0.00 97 P 0.00 4.52 0.00 2.14 2.26 0.00 3.73 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 2.04 1.98 0.00 98 R 7.82 4.35 0.00 1.74 1.91 0.00 3.09 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 99 V 8.55 4.68 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 0.82 0.00 0.00 0.92 0.00 0.00 100 S 8.34 4.78 0.00 3.88 3.56 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 0.00 101 L 9.09 5.05 0.00 1.43 1.19 0.91 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.03 4.86 0.00 1.54 1.24 0.78 0.72 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 0.00 103 F 9.09 3.84 0.00 2.19 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 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.67 0.00 2.05 1.97 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 105 W 7.97 4.96 0.00 3.41 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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 0.00 195 E 8.58 4.28 0.00 1.96 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 0.00 2.28 2.26 0.00 196 H 9.59 4.41 0.00 3.13 2.99 0.00 5.75 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 R 8.23 4.50 0.00 1.73 1.76 0.00 3.17 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 198 L 7.37 4.61 0.00 1.62 1.57 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 199 H 7.75 3.85 0.00 2.88 2.30 0.00 5.89 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 0.00 200 D 8.26 4.47 0.00 2.62 2.67 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 0.00 201 R 8.00 5.22 0.00 1.62 1.84 0.00 3.26 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 202 F 9.53 5.36 0.00 3.14 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 0.00 203 L 9.35 5.21 0.00 1.84 1.61 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 204 Y 9.36 4.92 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 0.00 205 Q 9.35 5.16 0.00 2.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 206 R 8.95 4.05 0.00 1.33 1.73 0.00 2.55 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 207 E 9.41 4.45 0.00 1.94 1.75 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 2.21 2.43 0.00 208 N 9.61 4.19 0.00 2.78 2.80 0.00 0.00 7.15 8.06 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 0.00 209 D 8.00 4.28 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 A 7.71 4.50 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 0.00 211 W 8.54 5.17 0.00 3.29 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 0.00 212 K 9.66 4.38 0.00 1.82 1.75 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.59 7.81 213 I 8.28 4.82 1.70 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 0.69 -0.36 0.66 0.00 0.00 214 D 8.74 4.85 0.00 2.62 2.53 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 0.00 215 R 8.62 4.73 0.00 1.88 1.80 0.00 3.07 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.25 0.00 216 L 8.06 4.84 0.00 1.56 1.58 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 217 A 8.32 4.41 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 0.00 218 P 0.00 4.50 0.00 2.12 2.19 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.