NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 H 4.6894 8.5445 117.3661 54.2036 30.3592 173.8950 *-2 H 4.5462 8.1485 115.3695 56.1075 29.6345 179.3207 *-1 H 5.0195 8.5754 114.0607 54.6257 30.0553 177.4364 0 H 4.6066 7.8765 117.2573 56.8641 27.9159 177.6111 *-1 A 4.6095 8.3954 119.6607 52.1257 20.1553 181.1364 0 E 4.2266 7.8765 119.2573 58.4641 28.8159 180.1111 4 F 4.2989 8.1835 120.1354 61.4988 39.4406 177.0900 5 T 3.7133 7.9429 115.0070 66.7799 68.3309 175.8206 6 H 4.0497 8.1477 119.5845 59.0463 29.7530 176.6516 7 L 3.8092 7.7982 121.5751 58.2846 41.6769 179.0095 8 V 3.3647 7.2594 116.7485 66.0470 31.4859 177.4375 9 N 4.3899 8.0838 115.3999 56.1502 38.4078 176.7600 10 E 4.1971 7.9081 118.6156 56.8779 29.7914 176.9267 11 R 4.0657 7.0847 120.1328 55.9219 30.3955 175.7343 12 R 4.6452 8.2052 123.6284 54.0734 33.5697 175.3213 13 S 4.3793 8.6365 118.1322 58.0739 63.2463 174.1735 14 A 4.4610 8.9744 129.7047 51.7311 18.5297 177.2867 15 S 4.4569 9.0711 117.3736 58.7928 64.1550 173.8765 16 N 5.0352 7.6095 116.1492 50.9274 40.2882 172.9850 17 F 5.2694 8.3768 116.0523 55.8758 43.0188 174.3536 18 L 4.7835 9.0230 121.4219 53.6556 43.0533 177.0688 19 S 4.2988 8.6907 118.2907 58.9624 63.9697 174.3412 20 G 3.8377 9.0949 108.9517 46.2812 0.0000 174.1302 21 H 4.9824 7.7526 113.4101 53.1337 28.9706 171.9440 22 P 4.4445 0.0000 0.0000 62.7450 32.3524 176.3221 23 I 4.5864 8.1331 120.3759 59.4254 40.2507 175.3273 24 T 4.6049 8.5507 117.3137 59.8375 72.3397 175.8226 25 K 3.9202 8.4746 120.9640 59.7469 31.9439 179.3929 26 E 3.9574 8.1143 118.2750 59.4487 29.2560 178.6754 27 D 4.3884 7.8454 117.5576 57.6291 41.0027 178.8563 28 L 3.8627 7.4903 117.7149 57.7214 41.9327 178.8858 29 N 4.7245 8.7669 116.8390 56.1428 38.2300 177.4498 30 E 4.1319 7.8210 117.4623 57.0217 29.5996 178.3191 *32 F 4.8834 8.0845 118.0905 57.0799 41.0730 177.2204 33 E 4.0659 8.3887 119.6796 59.2888 29.4121 179.0615 34 L 4.1533 7.5833 118.6990 57.7546 41.7823 179.3235 35 V 3.7060 8.0394 117.5134 66.2913 31.0971 177.6984 36 A 4.1556 8.1407 119.3295 54.5217 18.2207 177.9756 37 L 4.3670 7.6030 114.9687 54.5767 42.0281 176.9928 38 A 4.2299 7.7579 122.6752 51.2735 18.8893 176.1844 39 P 4.6039 0.0000 0.0000 62.7564 32.5436 176.0179 40 S 4.7787 8.2345 112.6710 56.3485 66.1775 173.2853 41 A 4.1135 9.3100 126.0261 53.9492 18.4337 177.9953 42 F 3.7385 8.9246 119.7162 57.7243 36.6805 174.5721 43 N 4.3378 8.3882 116.0413 54.6478 37.6309 175.3286 44 L 4.0041 8.2705 116.7245 55.0577 42.6344 177.0271 45 Q 3.5329 8.4926 118.1066 57.3664 26.4638 174.4132 46 H 4.2527 8.0469 115.3186 58.6664 30.7268 177.3497 47 T 4.8783 7.6557 115.4135 62.5624 69.9969 174.3429 48 K 4.8981 8.8288 124.5719 54.6750 36.2733 174.5679 49 Y 4.9375 8.3851 119.6418 56.1849 40.8261 175.1117 50 V 4.1026 8.4640 124.3965 61.6344 33.4304 174.4823 51 T 4.7398 8.4443 125.2279 61.9535 70.3327 174.1599 52 V 4.1029 8.8186 128.4858 61.5670 32.2857 176.1192 53 L 4.2957 8.4381 127.7806 55.5150 43.4365 177.1929 54 D 4.3517 7.8608 118.7183 54.1899 41.9296 176.4773 55 Q 3.9536 8.6868 128.1368 59.1137 29.2113 177.4565 56 D 4.2725 8.1137 118.9038 57.2534 41.3418 178.2227 57 V 3.5910 8.1127 118.7992 65.8143 31.2776 178.1608 58 K 3.9000 7.8894 117.3231 59.4282 32.3019 178.6082 59 E 4.1126 8.3536 119.0359 59.6818 29.2514 179.8024 60 K 4.1132 7.8487 116.4613 58.8391 32.3462 178.7784 61 L 4.2190 7.8230 118.6475 55.9320 41.6556 178.7933 62 K 3.9625 7.9093 122.8710 60.3436 31.9206 179.2012 63 Q 4.0512 8.0610 118.7092 60.2750 28.3690 179.7825 64 A 4.3993 8.0969 122.0083 54.0971 18.6692 177.4454 65 A 4.7839 8.2785 119.5404 52.6307 19.9928 177.0680 66 N 4.2357 9.2262 114.5637 55.8070 36.3636 175.7771 67 G 3.9015 8.2507 103.3753 46.0759 0.0000 174.5123 68 Q 4.2243 8.1728 120.1383 55.3564 28.7638 176.6697 69 Y 4.2367 8.8308 125.0464 60.1614 38.8858 177.6502 70 K 4.3749 8.2571 120.7845 59.1872 32.1946 178.9265 71 V 3.5482 7.4505 118.7014 65.8486 31.4185 177.8800 72 V 3.6068 7.3584 117.4206 65.9069 31.8533 178.0113 73 S 4.2080 7.3700 113.4777 59.8662 63.1336 174.4291 74 S 3.7696 7.2281 116.4228 58.4033 63.0325 174.6575 75 S 4.3586 8.3902 117.7689 61.5267 63.7728 174.0915 76 A 4.7043 7.4389 118.7330 50.5730 22.8892 175.2193 77 V 4.6091 8.4978 119.6233 61.0565 34.0733 174.3426 78 L 5.1108 8.9228 128.3299 53.0377 43.9326 175.8420 79 L 4.3813 8.7804 123.7938 53.1383 43.7817 175.6678 80 V 4.0290 8.1889 124.5358 61.6758 32.7468 174.3769 81 L 5.1243 8.7958 128.8312 52.9669 44.5787 175.8034 82 G 4.3471 8.8468 109.5276 44.2458 0.0000 171.6204 83 D 4.6036 9.3554 126.4933 53.8559 41.4855 177.2784 84 K 4.2104 8.9653 127.0421 58.5550 32.4818 178.0182 85 Q 4.4595 8.2302 118.0925 55.1776 29.3869 177.3814 86 A 3.9420 7.7184 124.6163 55.4326 18.6508 180.6488 87 Y 3.7997 7.5070 113.1872 59.6480 38.1241 178.1419 88 Q 3.7150 6.6078 118.7975 58.0830 28.8617 177.5030 89 Q 4.2642 7.8133 116.1638 55.4473 28.7854 176.9485 90 A 3.1909 7.5128 124.3692 55.0538 18.0965 179.9606 91 A 3.8854 7.6912 117.0602 55.5578 18.5878 179.1954 92 D 4.4649 7.8910 116.7029 57.6105 40.8154 178.8829 93 I 3.7368 7.7274 119.5567 64.2581 37.3308 177.3157 94 Y 4.8346 8.0455 115.6456 58.8380 38.1103 177.1802 95 E 3.8558 8.2497 121.8831 59.1500 29.6689 178.7814 96 G 3.6967 8.2099 105.2970 47.6358 0.0000 175.3118 97 L 4.0402 7.8596 121.0119 57.6182 41.6124 179.6074 98 K 4.3435 7.6884 120.2687 59.0319 32.0856 178.9178 99 V 3.5428 7.4768 117.5438 65.8545 31.4694 176.6450 100 L 4.1529 8.2220 117.4245 54.9424 41.6921 177.5612 101 G 3.9267 8.0295 106.9619 46.1188 0.0000 175.0510 102 I 3.9311 7.8523 121.8387 63.0575 37.5669 176.3633 103 L 4.9728 7.8968 119.3901 52.5818 44.3452 176.1215 104 N 5.0252 8.9019 120.3230 51.6343 40.0950 176.2903 105 K 4.0444 8.6098 122.5918 60.4156 32.1050 179.0427 106 Q 4.0827 8.1495 120.3624 60.3562 27.8949 180.0589 107 E 4.1968 8.8355 120.0820 59.2919 29.5816 178.6111 108 Y 4.2812 8.1496 118.5608 60.9559 39.1812 177.4074 109 D 4.3732 8.6028 120.1765 57.4800 40.8303 178.5799 110 H 4.4600 8.3024 115.4873 56.8952 29.4513 176.9058 *112 V 4.0754 7.6936 120.1846 62.6153 33.1338 177.4619 113 Q 3.9842 8.1451 118.7089 58.9499 28.3704 178.4961 114 D 4.3623 8.4325 120.2590 57.7748 40.7917 179.1773 115 T 3.4111 7.8109 115.4144 66.4539 68.5265 176.7873 116 V 3.7082 8.0550 120.7005 66.2006 31.5849 178.2826 117 S 4.1104 8.3861 114.1574 61.0428 62.9042 175.9277 118 F 3.7949 8.3600 124.5414 61.4479 39.0456 176.8531 119 Y 4.0012 7.9243 116.0448 61.2393 37.5208 178.1094 120 E 3.8499 8.0169 118.3545 59.5004 29.5974 178.9764 121 N 4.3483 8.2665 116.0084 56.0714 38.5593 177.1508 122 R 3.9218 7.0866 117.9853 57.5355 30.8907 176.6735 123 G 3.8583 8.2887 104.1866 44.3210 0.0000 173.3567 124 E 3.9923 8.7991 116.7000 59.3933 29.4031 178.9412 125 Q 3.9697 8.1008 119.1556 59.2382 29.0628 178.0078 126 F 4.1268 8.2420 121.0024 61.3298 39.5348 176.8417 127 K 4.0331 8.1574 118.0697 59.6733 31.8905 179.2950 128 R 3.9159 8.1050 118.7777 59.3608 30.0079 177.9736 129 D 4.3590 8.4330 119.1717 57.7134 40.7794 178.9370 130 E 3.8366 8.1748 118.8433 58.9869 29.4961 179.1627 131 A 4.0098 7.8086 120.6830 55.3351 18.4878 179.8249 132 I 3.6607 7.7462 118.1649 64.3895 37.1806 178.7141 133 R 3.8373 8.2894 119.8598 59.6821 30.0006 178.4003 134 N 4.3470 8.3118 116.1751 56.2337 38.4405 177.4202 135 A 4.5932 7.8688 123.2322 54.6895 18.1643 179.9294 136 S 4.1283 7.9438 113.2536 61.4347 63.0051 176.2374 137 L 4.1808 7.6874 120.9694 58.0717 41.5210 179.2478 138 S 4.4724 7.9398 111.1002 60.6851 63.6384 175.6678 139 A 4.5924 7.9274 124.4175 52.3825 14.8875 176.6079 *142 F 4.2400 7.7447 122.5467 57.4301 41.4333 176.4905 *144 L 4.2705 7.7871 120.8786 54.5459 43.7202 179.3533 145 S 3.9875 7.9574 113.9588 61.4615 62.6466 176.2655 146 A 3.7574 7.6859 123.4421 55.1004 18.0470 179.5380 147 A 4.1492 8.1205 119.7637 54.8282 18.3285 179.6049 148 A 4.0019 8.0982 118.0421 54.6998 18.5199 178.7691 149 A 4.4054 7.7484 116.9963 52.3026 19.0420 178.0783 150 G 3.7462 8.0311 105.7192 44.8675 0.0000 173.3787 151 W 4.7974 8.3780 119.1518 54.8853 32.1840 174.8904 152 D 5.2467 9.2949 122.3391 53.4622 42.8853 175.7526 153 T 5.4938 8.4239 110.0332 60.5299 73.3707 172.1363 154 C 5.1711 9.2400 122.2812 57.0962 34.6058 172.0308 155 P 4.7157 0.0000 0.0000 62.4717 32.2464 176.1527 *157 I 4.0405 8.3332 118.1189 60.4995 39.7820 176.0615 158 G 4.0061 7.9445 109.7027 44.8708 0.0000 172.5106 159 F 4.9923 6.7953 112.7703 55.5903 41.5316 174.7350 160 D 4.5615 9.5012 122.3185 52.9862 40.7053 176.8987 161 A 4.3926 8.7086 129.8400 55.4154 18.4686 178.6085 162 E 3.9228 8.3636 116.3031 59.5959 29.5292 179.3311 163 A 4.0093 8.3541 120.6366 55.1840 18.4628 179.7821 164 V 3.5213 8.0233 116.7476 66.1669 31.5764 178.4118 165 K 3.9942 8.4414 118.5172 59.4882 31.8549 179.6266 166 R 3.9380 8.1728 118.3600 59.3353 29.7820 179.1968 167 I 3.7437 7.9949 118.9002 63.7015 37.2111 177.5544 168 L 4.3584 7.8233 116.3965 53.0891 42.9727 175.7011 169 N 4.0871 7.4219 116.0615 54.4774 37.5057 174.0332 170 I 4.2868 7.6001 118.3045 59.7559 39.2990 176.6752 171 D 4.6388 8.5935 124.6271 54.1098 41.4209 176.9684 172 D 4.4207 8.6286 120.8811 57.3649 41.4772 177.4190 173 Q 4.0565 7.9534 116.1665 57.6727 29.7469 175.6349 174 F 5.1359 7.6837 119.3341 55.9814 40.4373 175.2375 175 E 4.1791 9.1444 125.8447 55.9420 30.9022 175.9668 176 V 4.1408 8.4903 127.3228 62.4717 30.5793 175.4951 177 V 3.7387 8.7738 128.4631 65.4939 32.4405 176.3450 *180 I 4.3305 7.6010 120.9353 61.3568 38.6586 175.1527 181 T 4.7321 8.6694 117.6924 60.9247 70.9455 173.6892 182 I 4.9702 8.3456 122.9852 59.1159 41.8141 175.3902 183 G 4.3274 7.9215 113.6088 46.1175 0.0000 171.1233 184 K 4.9487 8.3398 119.7165 54.5837 34.6395 174.7384 185 E 4.5977 9.3640 125.4020 54.2825 30.8165 175.0550 186 K 4.1887 8.5987 126.3045 56.5339 32.8435 177.7778 187 T 3.8989 8.7084 126.5770 67.1487 68.7714 177.4172 188 E 3.9680 8.3540 118.7347 59.1312 29.7455 180.6401 189 S 4.6632 7.4997 111.4582 58.1056 62.7988 178.5370 190 R 4.0682 7.7524 122.5523 57.5158 30.2548 177.7380 191 R 4.1695 8.3188 120.9738 55.1067 30.2070 172.1466 192 P 4.4572 0.0000 0.0000 62.2214 31.9891 176.5529 193 R 3.9319 8.4564 120.7487 56.3190 30.4687 176.8874 194 G 3.7878 8.4691 113.3880 45.1756 0.0000 172.4436 195 Y 4.0973 8.5510 121.2260 58.1409 39.0750 176.0071 196 R 4.2992 7.4850 124.9699 53.5393 32.5027 176.0580 197 K 3.9456 8.2572 121.9526 55.8903 32.7911 175.2768 198 P 4.4775 0.0000 0.0000 62.3108 32.3121 177.4554 199 V 2.6541 8.4929 120.3712 65.9305 31.3473 177.5911 200 N 4.5193 7.9808 114.0174 54.2158 37.3461 175.0217 201 E 4.4693 8.1556 118.2991 56.7419 30.1909 176.3023 202 F 4.9523 7.7194 111.2165 55.8226 39.1740 174.6800 203 V 4.1033 7.4996 121.4623 60.8793 33.4125 173.8830 204 E 4.4858 8.4970 127.5486 54.5883 31.1889 174.9991 205 Y 4.2932 8.5211 122.6288 58.2329 38.1365 175.3791 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 *-3 H 8.54 4.69 0.00 2.95 3.03 0.00 7.14 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-2 H 8.15 4.55 0.00 2.98 2.97 0.00 7.11 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-1 H 8.58 5.02 0.00 2.88 2.91 0.00 7.17 0.00 0.00 0.00 0.00 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 H 7.88 4.61 0.00 3.19 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-1 A 8.40 4.61 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 0 E 7.88 4.23 0.00 1.96 2.13 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 2.40 2.25 0.00 4 F 8.18 4.30 0.00 3.16 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 5 T 7.94 3.71 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 1.21 0.00 0.00 6 H 8.15 4.05 0.00 3.23 3.47 0.00 5.88 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 7 L 7.80 3.81 0.00 1.76 1.59 0.91 0.97 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 8 V 7.26 3.36 1.73 0.00 0.00 0.00 0.00 0.00 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 9 N 8.08 4.39 0.00 2.75 2.80 0.00 0.00 7.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.91 4.20 0.00 2.11 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 2.33 2.18 0.00 11 R 7.08 4.07 0.00 1.69 1.79 0.00 3.21 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 12 R 8.21 4.65 0.00 1.76 1.74 0.00 3.40 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 13 S 8.64 4.38 0.00 3.86 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 14 A 8.97 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 9.07 4.46 0.00 3.90 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 16 N 7.61 5.04 0.00 2.77 2.74 0.00 0.00 5.81 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 17 F 8.38 5.27 0.00 2.98 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 18 L 9.02 4.78 0.00 1.65 1.70 0.94 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 19 S 8.69 4.30 0.00 3.81 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 20 G 9.09 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 0.00 0.00 0.00 21 H 7.75 4.98 0.00 3.24 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.44 0.00 2.22 2.09 0.00 3.83 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 23 I 8.13 4.59 1.20 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.13 0.64 0.00 0.00 24 T 8.55 4.60 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 1.24 0.00 0.00 25 K 8.47 3.92 0.00 1.81 1.92 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.53 7.81 26 E 8.11 3.96 0.00 2.02 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 2.41 2.41 0.00 27 D 7.85 4.39 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 3.86 0.00 1.74 1.69 0.85 0.87 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 29 N 8.77 4.72 0.00 2.75 2.92 0.00 0.00 6.66 7.61 0.00 0.00 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 E 7.82 4.13 0.00 2.01 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 2.28 2.35 0.00 *32 F 8.08 4.88 0.00 3.26 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 33 E 8.39 4.07 0.00 2.13 2.05 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.92 3.74 0.00 3.38 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 43 N 8.39 4.34 0.00 2.93 3.09 0.00 0.00 7.10 7.24 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 44 L 8.27 4.00 0.00 1.62 1.46 0.73 0.56 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 45 Q 8.49 3.53 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 46 H 8.05 4.25 0.00 3.16 3.41 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.66 4.88 4.29 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 0.87 0.00 0.00 48 K 8.83 4.90 0.00 1.36 1.39 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.42 7.81 49 Y 8.39 4.94 0.00 2.31 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 50 V 8.46 4.10 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 0.87 0.00 0.00 0.74 0.00 0.00 51 T 8.44 4.74 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 1.20 0.00 0.00 52 V 8.82 4.10 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 0.90 0.00 0.00 0.85 0.00 0.00 53 L 8.44 4.30 0.00 1.61 1.64 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.86 4.35 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 3.95 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 56 D 8.11 4.27 0.00 2.82 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 57 V 8.11 3.59 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 0.93 0.00 0.00 0.93 0.00 0.00 58 K 7.89 3.90 0.00 1.87 1.95 0.00 1.85 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 0.00 0.00 0.00 109 D 8.60 4.37 0.00 2.91 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 0.00 110 H 8.30 4.46 0.00 3.33 3.47 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 V 7.69 4.08 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 0.92 0.00 0.00 0.46 0.00 0.00 113 Q 8.15 3.98 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 114 D 8.43 4.36 0.00 2.63 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.81 3.41 4.41 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 1.00 0.00 0.00 116 V 8.06 3.71 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.10 0.00 0.00 117 S 8.39 4.11 0.00 4.05 4.13 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 0.00 118 F 8.36 3.79 0.00 3.16 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 0.00 119 Y 7.92 4.00 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.85 0.00 1.82 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 2.17 2.47 0.00 121 N 8.27 4.35 0.00 2.46 2.70 0.00 0.00 7.07 7.42 0.00 0.00 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 R 7.09 3.92 0.00 1.37 1.55 0.00 2.21 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.85 0.00 123 G 8.29 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.80 3.99 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 125 Q 8.10 3.97 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 126 F 8.24 4.13 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.16 4.03 0.00 2.14 2.21 0.00 1.97 0.00 0.00 1.96 0.00 0.00 2.68 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.76 1.82 7.81 128 R 8.10 3.92 0.00 1.91 2.07 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 129 D 8.43 4.36 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.17 3.84 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 131 A 7.81 4.01 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 0.00 132 I 7.75 3.66 1.99 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 1.42 0.68 0.92 0.00 0.00 133 R 8.29 3.84 0.00 1.86 1.95 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 134 N 8.31 4.35 0.00 2.71 2.82 0.00 0.00 7.00 7.42 0.00 0.00 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 A 7.87 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 136 S 7.94 4.13 0.00 4.05 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 0.00 137 L 7.69 4.18 0.00 1.87 1.80 0.95 0.96 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 0.00 138 S 7.94 4.47 0.00 4.08 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 0.00 139 A 7.93 4.59 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.74 4.24 0.00 3.25 3.36 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 *144 L 7.79 4.27 0.00 1.83 1.84 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.96 3.99 0.00 3.63 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.69 3.76 1.02 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 0.00 0.00 147 A 8.12 4.15 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 0.00 148 A 8.10 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.75 4.41 1.49 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 0.00 150 G 8.03 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 0.00 151 W 8.38 4.80 0.00 3.36 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 0.00 152 D 9.29 5.25 0.00 2.98 2.71 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 0.00 153 T 8.42 5.49 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 1.37 0.00 0.00 154 C 9.24 5.17 0.00 3.17 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 0.00 155 P 0.00 4.72 0.00 2.19 2.16 0.00 3.92 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 2.04 2.02 0.00 *157 I 8.33 4.04 1.88 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 1.26 0.48 0.88 0.00 0.00 158 G 7.94 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 0.00 0.00 0.00 159 F 6.80 4.99 0.00 3.20 3.01 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 0.00 160 D 9.50 4.56 0.00 2.70 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 0.00 161 A 8.71 4.39 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 0.00 162 E 8.36 3.92 0.00 2.27 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 2.43 2.41 0.00 163 A 8.35 4.01 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 0.00 0.00 164 V 8.02 3.52 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 0.88 0.00 0.00 0.92 0.00 0.00 165 K 8.44 3.99 0.00 1.99 1.87 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.69 7.81 166 R 8.17 3.94 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 167 I 7.99 3.74 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.58 0.89 0.00 0.00 168 L 7.82 4.36 0.00 1.63 1.62 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 169 N 7.42 4.09 0.00 2.92 2.80 0.00 0.00 7.07 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.60 4.29 1.87 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 1.17 0.64 0.93 0.00 0.00 171 D 8.59 4.64 0.00 3.06 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 0.00 172 D 8.63 4.42 0.00 2.62 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 0.00 173 Q 7.95 4.06 0.00 1.84 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 174 F 7.68 5.14 0.00 3.13 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 0.00 175 E 9.14 4.18 0.00 2.12 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 2.35 0.00 176 V 8.49 4.14 2.31 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 0.76 0.00 0.00 0.98 0.00 0.00 177 V 8.77 3.74 2.20 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 0.85 0.00 0.00 1.09 0.00 0.00 *180 I 7.60 4.33 1.86 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 1.51 0.45 1.14 0.00 0.00 181 T 8.67 4.73 4.13 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 1.24 0.00 0.00 182 I 8.35 4.97 1.91 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.72 0.74 0.00 0.00 183 G 7.92 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 0.00 184 K 8.34 4.95 0.00 1.57 1.51 0.00 1.30 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 0.84 7.81 185 E 9.36 4.60 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 186 K 8.60 4.19 0.00 1.84 1.68 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.45 7.81 187 T 8.71 3.90 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 1.19 0.00 0.00 188 E 8.35 3.97 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 189 S 7.50 4.66 0.00 3.61 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 R 7.75 4.07 0.00 1.96 1.88 0.00 3.11 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 191 R 8.32 4.17 0.00 1.83 1.72 0.00 3.28 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 192 P 0.00 4.46 0.00 2.04 2.02 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 193 R 8.46 3.93 0.00 1.75 1.83 0.00 3.21 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 194 G 8.47 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 0.00 195 Y 8.55 4.10 0.00 2.92 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 R 7.48 4.30 0.00 1.58 1.63 0.00 3.29 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 197 K 8.26 3.95 0.00 1.82 1.91 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.54 7.81 198 P 0.00 4.48 0.00 2.38 2.00 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 199 V 8.49 2.65 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 0.71 0.00 0.00 0.88 0.00 0.00 200 N 7.98 4.52 0.00 2.85 2.92 0.00 0.00 5.96 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 8.16 4.47 0.00 2.24 2.13 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 2.33 2.28 0.00 202 F 7.72 4.95 0.00 2.99 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 0.00 203 V 7.50 4.10 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.34 0.00 0.00 204 E 8.50 4.49 0.00 1.90 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 205 Y 8.52 4.29 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.