NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2987 8.2649 123.5795 51.7368 19.9502 176.5883 6 H 4.1375 8.5832 118.0456 54.6827 29.2844 173.4850 7 P 4.5062 0.0000 0.0000 62.7288 32.6649 176.1801 8 I 4.2746 8.1598 112.9670 61.6766 38.4933 175.3655 9 S 4.8672 7.3978 113.6237 57.2256 64.9387 174.0158 10 R 3.9431 9.3643 125.8722 58.5020 29.9935 176.2155 11 Y 4.4592 7.3652 114.2976 55.0107 40.0164 173.4521 12 P 4.2929 0.0000 0.0000 62.8977 31.8212 176.5184 13 V 4.3274 8.1284 121.6695 60.1583 32.7135 173.6663 14 P 4.5227 0.0000 0.0000 62.4293 32.2987 176.0374 15 E 4.2915 8.4460 119.0291 55.8705 30.5386 178.1338 16 L 3.9562 8.6087 121.5995 57.8721 42.0611 179.4151 17 A 3.9093 8.1825 120.1607 55.2090 18.2164 177.8917 18 A 4.3314 7.7452 114.9417 52.5381 18.8926 177.0776 19 L 4.5681 7.3847 116.5046 52.3241 43.4843 175.4420 20 P 4.2244 0.0000 0.0000 63.3235 32.9399 177.2174 21 D 4.4019 8.8976 121.6696 57.8661 40.7439 179.1691 22 D 4.4237 8.0023 118.8870 56.1977 39.6161 178.7269 23 I 3.6489 7.5523 120.7964 64.2648 37.2769 177.9293 24 R 3.8588 8.1970 119.9132 59.4659 29.6164 178.3312 25 Q 3.8288 7.9746 119.2567 59.2700 29.0649 177.8685 26 R 4.2242 7.8738 121.0332 58.8655 29.8813 178.5802 27 I 3.4481 7.9151 121.8412 64.9336 37.2020 178.9694 28 L 3.9433 7.7846 123.1115 59.4476 40.4797 180.9460 29 E 4.1251 8.3604 119.3145 59.4638 29.4427 179.8460 30 V 3.5197 7.3066 119.1247 64.2403 31.5692 178.0579 31 Q 3.9308 8.0952 120.6383 59.3160 28.6052 178.1169 32 D 4.2700 7.7531 118.2061 57.1641 40.9773 177.6614 33 K 3.9337 7.6185 118.7803 59.4763 32.2926 177.8920 34 A 4.1120 8.2795 119.9411 52.6789 18.8758 178.4859 35 G 4.0222 9.5485 103.7224 44.7939 0.0000 172.7033 36 F 4.4956 6.8687 111.7390 56.3701 39.6328 173.2635 37 V 3.9450 8.4056 121.3523 60.1579 32.4396 173.6696 38 P 5.0095 0.0000 0.0000 63.5415 31.9311 177.3053 39 N 4.6574 10.3673 120.9345 56.0438 38.4310 177.9462 40 V 3.4961 8.0478 122.0044 64.1822 31.1897 178.2271 41 F 4.3557 8.3661 118.0494 60.4465 38.5953 177.7258 42 L 4.3236 8.1755 117.0778 57.7103 41.8881 179.2436 43 T 4.0796 8.2059 109.8640 65.0087 68.8538 176.7745 44 L 4.1568 8.0055 121.4734 56.2460 41.3735 178.9626 45 A 4.0133 7.7516 118.8985 54.7194 18.2882 178.5332 46 H 4.3499 7.9712 116.4352 57.8518 31.2144 175.4014 47 R 4.5502 7.9899 119.8554 52.2615 30.4276 173.5704 48 P 4.2529 0.0000 0.0000 65.9822 31.6701 177.4792 49 D 4.4421 8.1547 116.7035 57.2484 40.6274 178.6372 50 E 4.0438 8.1635 118.7546 59.1182 29.6435 178.2929 51 F 4.2529 8.5996 121.1712 61.7614 39.3542 177.4207 52 R 4.2603 8.7411 117.0443 59.5787 29.9924 179.0682 53 A 4.0828 8.0536 120.0738 54.9778 18.2548 179.3090 54 F 4.1690 9.0019 120.0154 61.7794 39.5047 177.5485 55 F 3.8772 8.3533 117.1798 59.9728 38.6714 177.7374 56 A 4.0036 8.2704 120.9823 55.2684 17.9562 179.0701 57 Y 3.7029 7.7421 116.9846 60.7431 38.9496 177.0439 58 H 3.3912 7.5016 119.2303 59.3753 29.6712 176.8775 59 D 4.4282 8.0091 118.7981 57.3358 40.7125 178.2520 60 A 4.1354 7.8004 120.3778 54.7427 18.3205 178.6254 61 L 4.4100 7.1668 114.8126 55.0675 42.0590 177.7074 *63 L 4.3293 7.7412 118.3559 53.7715 43.5144 177.4130 64 K 4.0256 7.9122 118.1506 56.6768 33.0198 176.6939 65 D 4.6372 8.5021 121.2357 52.2341 39.0093 175.1596 66 G 4.2064 8.0726 114.9886 44.2065 0.0000 170.6188 67 G 3.9033 8.6900 106.0423 45.8165 0.0000 173.5361 68 L 4.9090 7.6458 120.2888 53.1952 43.6387 177.0851 69 T 4.3446 8.5461 116.1348 61.5495 70.5796 176.6535 70 K 4.0908 8.5296 126.0964 60.0461 31.3493 179.6281 71 G 4.1116 7.9147 106.7906 47.2138 0.0000 175.2455 72 E 4.1820 8.0657 120.1319 59.3699 29.6503 179.4352 73 R 4.1211 8.1396 118.0635 58.7210 30.1965 177.5844 74 E 4.2053 7.8890 117.8805 56.7645 29.7963 179.0926 *76 I 3.9272 7.9393 120.6026 61.4389 39.4086 178.4835 77 V 3.1900 7.1392 119.3616 65.8585 31.1013 178.3211 78 V 3.4445 7.8139 117.6875 65.6863 31.5277 177.6741 79 A 3.9420 7.8461 120.3082 55.6211 18.3057 179.6495 80 T 3.8531 7.7835 108.0788 64.8612 68.8135 177.1223 81 S 4.0899 8.3696 118.1920 61.2113 62.7530 176.3692 82 A 3.9430 8.0786 123.2965 55.1968 17.9270 179.5126 83 A 3.9477 7.6889 117.6770 54.9580 18.4763 178.6048 84 N 4.5875 7.8001 112.0121 52.1668 39.4137 175.0614 85 Q 3.1872 7.9227 118.9480 56.7942 27.3817 174.4564 86 C 4.8605 8.1566 118.0559 57.5376 31.9774 173.3500 87 L 3.9048 8.5889 129.3427 58.3216 41.8043 177.5508 88 Y 3.8497 8.0988 118.7933 61.4341 38.7815 178.3354 89 C 4.2054 8.1382 116.6631 62.4983 28.3134 176.2283 90 V 3.4699 7.6143 119.6958 65.8987 31.1521 178.2001 91 V 3.2107 7.4928 117.6189 65.7392 31.1972 177.4095 92 A 2.5800 7.1634 120.2779 55.3748 18.0599 179.2285 93 H 4.3128 7.8016 112.8176 57.5241 28.7552 178.3772 94 G 3.4369 7.7323 107.8845 47.5753 0.0000 175.2908 95 A 4.0267 7.7646 123.8433 55.3445 18.4356 179.9663 96 I 3.4696 7.5034 117.6355 64.0829 37.0586 178.5879 97 L 3.9515 7.9008 121.5623 57.9054 41.8344 179.1119 98 R 4.0804 8.2598 118.4207 59.3469 29.8309 178.9180 99 I 3.7311 7.4536 117.8962 64.8159 37.2513 177.7717 100 Y 4.5756 7.7142 115.9114 61.3165 38.1822 178.2740 101 E 4.1986 8.6141 118.4514 56.5975 29.5252 178.4267 102 K 3.9477 7.9903 116.4068 56.5626 30.3443 175.7003 103 K 4.4276 7.4065 118.6975 54.2134 31.8713 175.5416 104 P 4.3793 0.0000 0.0000 64.3728 31.8255 178.5421 105 L 4.3150 7.9131 118.6120 56.9708 42.0365 178.8793 106 V 3.7953 7.3584 119.2126 64.7253 30.9027 178.5313 107 A 3.9205 7.8918 120.9355 55.2940 18.5082 178.8756 108 D 4.3613 8.1593 116.9226 57.8221 40.7902 179.1934 109 Q 4.0026 7.8452 118.3774 59.0667 28.5293 179.0741 110 V 3.6752 7.7190 117.8510 65.8843 31.6336 177.6928 111 A 4.1143 8.3665 120.2796 54.2800 18.2097 179.2267 112 V 4.1442 7.3748 115.3984 63.9979 33.1296 176.7494 113 N 4.8050 8.3389 120.4461 52.2573 39.9443 173.5870 114 Y 4.2288 8.6324 123.3199 59.5246 38.1089 179.5251 115 L 3.7147 6.8478 118.5838 56.4892 41.6715 177.8445 116 K 4.4739 7.8935 116.7518 55.7593 32.6777 176.1528 117 A 4.3937 7.7761 122.0338 52.2048 19.0043 179.1387 118 D 4.7630 9.5078 122.9198 52.9232 39.1675 176.0163 119 I 4.7158 7.2043 113.5340 57.2962 41.4198 174.7420 120 P 4.5786 0.0000 0.0000 61.8609 33.5820 175.2854 121 P 4.2844 0.0000 0.0000 66.0562 30.9203 178.8461 122 R 3.9367 7.9595 115.9158 59.7525 30.2430 178.3297 123 Q 4.2703 8.0982 115.7582 58.6298 28.9740 178.1587 124 R 4.2732 7.9453 119.4489 58.8473 30.1180 179.2691 125 A 4.4722 8.3661 120.8448 52.1667 18.3978 179.2547 *127 L 3.9797 7.9900 123.1019 56.4106 44.1101 179.1118 128 D 4.5551 8.5362 120.3525 56.8091 40.7964 178.8839 129 F 4.0566 7.9534 120.6506 61.1742 39.3582 177.0117 130 A 3.7836 7.8407 119.9483 55.0835 18.1918 179.4627 131 L 3.9140 7.8643 117.5596 57.7070 41.6570 179.6734 132 K 3.8611 7.8939 119.6283 59.1705 31.8091 178.9839 133 V 3.4176 6.9626 117.8858 65.3357 31.4387 177.4039 134 C 4.1131 8.1508 118.2400 62.0950 31.6456 175.0513 135 K 4.3559 8.1212 117.4530 56.5011 33.8470 177.1552 136 A 4.6935 7.7496 122.8632 50.8033 19.9216 177.6542 137 S 4.0514 7.9457 119.1632 61.1945 63.7699 176.8423 138 H 4.2997 8.1466 115.2169 57.6159 28.3929 175.7374 139 E 4.1479 7.4617 118.1409 56.5523 29.8584 176.7833 140 V 3.6994 7.3394 119.7136 63.3833 32.0271 174.5726 141 N 5.2408 9.2368 123.1888 50.4008 40.7572 174.8493 142 E 4.3190 8.8764 116.0928 59.4899 29.3157 179.2541 143 A 4.1528 8.1108 120.4250 54.9536 18.2903 179.2246 144 D 4.3498 8.1991 117.4645 57.4379 40.8028 178.9189 145 F 3.9380 8.0933 117.9385 60.3113 39.1598 177.1349 146 E 3.9622 8.4269 118.8528 59.4123 28.3147 178.8430 147 A 4.1198 8.1263 120.6172 54.9674 18.3817 179.6141 148 L 4.2847 7.6206 117.9884 57.9325 41.6861 179.7362 149 R 4.2018 8.3632 118.4063 59.2548 29.7381 178.8866 150 E 4.0479 8.1337 117.3920 58.8143 29.3818 178.0146 151 H 4.7833 7.4067 111.3807 54.8745 29.1286 175.1142 152 G 3.7555 7.8801 108.0722 46.3622 0.0000 173.7948 153 F 4.7798 8.0022 118.3065 56.2231 40.2253 176.9909 154 T 4.4298 9.0611 116.6829 60.7045 71.4272 175.6800 155 D 4.4840 8.5660 120.0034 57.8528 40.7827 179.0406 156 E 4.1088 8.2196 118.3696 59.2744 29.2797 179.0452 157 D 4.4399 8.3555 119.0076 57.3579 40.9493 178.4581 158 A 3.8531 8.1981 121.2748 54.9893 18.3785 179.5233 159 W 4.1806 8.5950 126.7979 60.7401 30.7539 177.9848 160 D 4.6463 8.5424 118.9691 57.4079 40.2840 178.7668 161 I 3.6852 8.2012 120.2884 64.3890 37.1330 178.1670 162 A 3.9024 8.2023 121.2394 55.3830 18.2399 179.6352 163 A 3.9088 8.5739 119.4492 55.1955 18.3590 179.9895 164 I 3.9319 8.1269 118.6929 64.7975 37.2362 178.7676 165 T 3.8700 8.1382 116.5246 66.4049 67.7565 176.7220 166 A 3.8810 8.1689 122.8810 55.1154 18.5108 179.5366 167 F 3.7320 8.1996 119.2106 61.2985 39.4540 177.2504 168 F 3.8186 8.6057 117.0031 59.3000 38.6892 178.0556 169 G 3.4835 7.7949 105.7967 47.5352 0.0000 175.4898 170 L 3.7541 6.9755 121.1506 57.6896 42.0878 178.7180 171 S 3.9626 6.9447 111.5477 61.5007 62.6407 175.3994 172 N 4.5043 8.5677 119.3301 56.4168 38.2347 178.0753 173 R 3.9757 7.6758 115.3031 56.8536 29.8605 178.3733 *175 A 4.1287 7.8935 123.1076 52.3777 20.5375 179.7475 176 N 4.4091 8.5038 113.5260 56.7720 38.9169 178.0230 177 T 3.8816 8.0786 114.5204 66.2844 68.6352 175.4792 178 I 4.2115 7.7815 112.4786 59.9328 38.5154 172.2278 179 G 4.0755 7.5834 116.6960 44.9401 0.0000 173.3487 *181 R 4.2247 8.3129 121.9698 55.1885 31.0760 173.1936 182 P 4.5920 0.0000 0.0000 62.1109 32.6476 175.9240 183 N 4.7926 9.1571 118.5547 53.2595 39.4034 175.6799 184 D 4.6784 9.0400 121.4336 58.1039 40.7389 179.3799 185 E 3.8238 7.7804 118.1989 59.1666 29.0940 179.1893 186 F 4.3525 7.6504 117.1507 60.4903 38.9585 176.7471 187 F 4.1422 8.1054 116.7903 59.3340 39.1542 174.8629 188 L 4.4415 7.7498 121.9244 53.2351 42.4834 176.8315 *190 G 3.9936 8.5274 114.5934 45.1204 0.0000 173.2574 191 R 4.0077 8.3246 119.5143 58.2606 30.2484 177.1575 192 V 4.1852 7.4538 119.2194 59.1294 31.0551 173.7673 193 P 4.4275 0.0000 0.0000 63.2134 31.3966 176.5916 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 A 8.26 4.30 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 6 H 8.58 4.14 0.00 3.27 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.51 0.00 2.07 2.01 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 8 I 8.16 4.27 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 1.03 0.00 0.00 9 S 7.40 4.87 0.00 3.85 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 10 R 9.36 3.94 0.00 1.84 2.02 0.00 3.24 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.46 0.00 11 Y 7.37 4.46 0.00 2.85 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 12 P 0.00 4.29 0.00 2.18 2.06 0.00 3.63 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 2.16 2.12 0.00 13 V 8.13 4.33 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 0.93 0.00 0.00 0.99 0.00 0.00 14 P 0.00 4.52 0.00 2.22 2.06 0.00 4.08 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 15 E 8.45 4.29 0.00 2.03 1.91 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 2.41 2.28 0.00 16 L 8.61 3.96 0.00 1.70 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.18 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 4.33 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.57 0.00 1.74 1.49 0.84 0.79 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 20 P 0.00 4.22 0.00 2.18 1.97 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 21 D 8.90 4.40 0.00 2.80 2.73 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 0.00 0.00 0.00 0.00 22 D 8.00 4.42 0.00 2.90 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 I 7.55 3.65 1.80 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.27 0.00 0.00 24 R 8.20 3.86 0.00 1.91 2.10 0.00 3.07 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 25 Q 7.97 3.83 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 26 R 7.87 4.22 0.00 2.03 2.22 0.00 3.43 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 27 I 7.92 3.45 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.84 0.00 0.00 28 L 7.78 3.94 0.00 1.67 1.68 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.36 4.13 0.00 2.09 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 2.30 2.43 0.00 30 V 7.31 3.52 1.64 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 -0.03 0.00 0.00 0.68 0.00 0.00 31 Q 8.10 3.93 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 32 D 7.75 4.27 0.00 2.81 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 33 K 7.62 3.93 0.00 1.70 1.80 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 34 A 8.28 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.55 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 6.87 4.50 0.00 3.12 2.91 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 37 V 8.41 3.94 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 0.83 0.00 0.00 0.91 0.00 0.00 38 P 0.00 5.01 0.00 2.82 2.64 0.00 3.57 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 39 N 10.37 4.66 0.00 3.12 3.02 0.00 0.00 6.46 7.64 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 40 V 8.05 3.50 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 0.98 0.00 0.00 0.84 0.00 0.00 41 F 8.37 4.36 0.00 3.36 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 42 L 8.18 4.32 0.00 1.75 1.84 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.21 4.08 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 1.25 0.00 0.00 44 L 8.01 4.16 0.00 1.99 1.77 -0.33 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.75 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 46 H 7.97 4.35 0.00 3.26 3.47 0.00 5.89 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 47 R 7.99 4.55 0.00 1.80 1.87 0.00 3.31 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 48 P 0.00 4.25 0.00 2.14 2.08 0.00 3.57 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 49 D 8.15 4.44 0.00 2.80 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 50 E 8.16 4.04 0.00 2.18 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 2.41 2.37 0.00 51 F 8.60 4.25 0.00 3.39 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 52 R 8.74 4.26 0.00 2.22 2.13 0.00 3.28 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 53 A 8.05 4.08 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 54 F 9.00 4.17 0.00 3.00 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 55 F 8.35 3.88 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.27 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.74 3.70 0.00 3.02 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 0.00 0.00 0.00 0.00 58 H 7.50 3.39 0.00 2.55 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.01 4.43 0.00 2.78 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 A 7.80 4.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.17 4.41 0.00 1.51 1.74 0.89 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *63 L 7.74 4.33 0.00 1.79 1.79 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.91 4.03 0.00 1.85 1.96 0.00 1.58 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.45 7.81 65 D 8.50 4.64 0.00 3.05 2.75 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 66 G 8.07 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 67 G 8.69 3.90 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 0.00 0.00 0.00 68 L 7.65 4.91 0.00 1.70 1.66 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.55 4.34 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 1.23 0.00 0.00 70 K 8.53 4.09 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.09 7.81 71 G 7.91 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.07 4.18 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 73 R 8.14 4.12 0.00 2.08 2.00 0.00 3.17 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 74 E 7.89 4.21 0.00 2.20 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 2.68 2.38 0.00 *76 I 7.94 3.93 1.96 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 1.21 0.69 0.84 0.00 0.00 77 V 7.14 3.19 1.71 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 0.22 0.00 0.00 -0.21 0.00 0.00 78 V 7.81 3.44 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 0.91 0.00 0.00 0.88 0.00 0.00 79 A 7.85 3.94 1.09 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 0.00 0.00 80 T 7.78 3.85 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 1.13 0.00 0.00 81 S 8.37 4.09 0.00 3.83 3.93 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 0.00 0.00 0.00 82 A 8.08 3.94 1.43 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.47 2.49 0.00 124 R 7.95 4.27 0.00 2.00 2.12 0.00 3.11 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 125 A 8.37 4.47 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 *127 L 7.99 3.98 0.00 1.57 0.95 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.54 4.56 0.00 2.88 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 0.00 129 F 7.95 4.06 0.00 2.84 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 0.00 130 A 7.84 3.78 1.19 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 0.00 131 L 7.86 3.91 0.00 1.82 1.68 0.87 0.40 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 0.00 132 K 7.89 3.86 0.00 1.72 1.65 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.30 7.81 133 V 6.96 3.42 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 0.65 0.00 0.00 0.17 0.00 0.00 134 C 8.15 4.11 0.00 2.93 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.12 4.36 0.00 1.68 1.80 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.55 7.81 136 A 7.75 4.69 1.16 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 0.00 0.00 137 S 7.95 4.05 0.00 3.92 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 0.00 138 H 8.15 4.30 0.00 3.28 3.45 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.46 4.15 0.00 2.00 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 2.06 1.64 0.00 140 V 7.34 3.70 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 0.82 0.00 0.00 0.65 0.00 0.00 141 N 9.24 5.24 0.00 2.91 2.92 0.00 0.00 6.60 7.17 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 0.00 142 E 8.88 4.32 0.00 2.08 2.14 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 2.47 2.36 0.00 143 A 8.11 4.15 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 0.00 144 D 8.20 4.35 0.00 2.83 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 0.00 145 F 8.09 3.94 0.00 3.08 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 0.00 146 E 8.43 3.96 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 147 A 8.13 4.12 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 0.00 148 L 7.62 4.28 0.00 1.77 1.74 -0.36 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.36 4.20 0.00 2.06 2.02 0.00 3.17 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 150 E 8.13 4.05 0.00 2.18 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 2.35 2.55 0.00 151 H 7.41 4.78 0.00 3.35 3.28 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 7.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.00 4.78 0.00 3.15 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 0.00 154 T 9.06 4.43 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 155 D 8.57 4.48 0.00 2.73 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 0.00 156 E 8.22 4.11 0.00 1.99 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 2.38 2.29 0.00 157 D 8.36 4.44 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 0.00 158 A 8.20 3.85 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 0.00 159 W 8.60 4.18 0.00 3.61 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 0.00 160 D 8.54 4.65 0.00 3.05 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 0.00 161 I 8.20 3.69 2.17 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.99 0.00 0.00 162 A 8.20 3.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.57 3.91 1.54 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 0.00 0.00 164 I 8.13 3.93 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 1.01 0.00 0.00 165 T 8.14 3.87 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 1.19 0.00 0.00 166 A 8.17 3.88 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 0.00 167 F 8.20 3.73 0.00 2.68 2.91 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 0.00 168 F 8.61 3.82 0.00 3.29 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 0.00 169 G 7.79 3.48 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 0.00 0.00 0.00 170 L 6.98 3.75 0.00 1.41 1.45 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 171 S 6.94 3.96 0.00 3.15 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 0.00 172 N 8.57 4.50 0.00 2.68 2.85 0.00 0.00 7.13 7.52 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 0.00 173 R 7.68 3.98 0.00 1.89 1.86 0.00 3.07 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 *175 A 7.89 4.13 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 0.00 176 N 8.50 4.41 0.00 2.80 2.87 0.00 0.00 7.12 7.03 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 0.00 177 T 8.08 3.88 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 1.23 0.00 0.00 178 I 7.78 4.21 2.05 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 1.29 0.86 0.82 0.00 0.00 179 G 7.58 4.08 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 0.00 0.00 0.00 *181 R 8.31 4.22 0.00 1.93 2.05 0.00 3.47 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 182 P 0.00 4.59 0.00 1.89 1.71 0.00 4.03 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.92 0.00 183 N 9.16 4.79 0.00 3.09 3.01 0.00 0.00 7.09 8.08 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 0.00 184 D 9.04 4.68 0.00 2.72 2.73 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 0.00 0.00 0.00 0.00 185 E 7.78 3.82 0.00 1.16 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 1.59 2.05 0.00 186 F 7.65 4.35 0.00 2.97 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 0.00 187 F 8.11 4.14 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 7.75 4.44 0.00 1.74 1.54 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *190 G 8.53 3.99 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 0.00 0.00 0.00 191 R 8.32 4.01 0.00 1.94 2.01 0.00 3.18 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 192 V 7.45 4.19 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 0.78 0.00 0.00 0.94 0.00 0.00 193 P 0.00 4.43 0.00 2.22 2.09 0.00 3.81 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 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.