NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2913 8.1631 115.2485 62.2934 69.0123 174.5723 3 G 3.7573 8.1036 106.4163 45.1873 0.0000 171.4720 4 K 4.7075 8.4189 119.6553 54.4035 35.8460 174.7527 5 I 4.0081 8.3187 121.8850 64.1444 37.4683 175.8538 6 S 5.1457 7.6183 110.5796 58.8700 64.8790 174.1836 7 A 4.2887 9.0361 122.4064 52.9892 18.6930 177.6376 8 L 4.3201 7.2896 116.3008 53.4475 42.7795 176.7485 9 D 4.4673 8.3115 122.2594 52.8845 39.9723 174.8737 10 L 4.3210 8.0085 125.3024 52.4964 43.9118 176.5527 *13 G 3.9035 8.3594 117.3171 45.7661 0.0000 172.5307 14 E 4.2638 8.6283 121.3221 55.0976 30.4801 174.0249 15 L 4.3190 8.1277 118.0604 55.3502 42.5177 177.9251 16 S 4.4248 8.1638 115.2426 58.0091 65.0794 175.2003 17 E 3.9285 8.5113 121.7553 59.1384 29.1926 177.6421 18 P 4.2106 0.0000 0.0000 65.9940 31.3188 178.7915 19 T 3.5533 7.6581 113.8887 66.2803 68.2226 176.8498 20 K 3.8366 7.8697 120.1365 59.4252 32.1407 178.9856 21 A 3.9999 8.1721 121.1337 55.5649 18.2479 179.0667 22 Y 4.0968 8.3045 118.1814 60.9764 38.7662 178.3133 23 F 4.4825 8.6564 119.0377 60.3855 38.9904 177.5396 24 A 4.0173 8.4917 120.9075 54.9830 18.1657 179.6145 25 K 3.8160 8.1160 116.9302 59.9139 32.1016 178.8937 26 C 3.8158 7.9320 116.8013 63.1179 27.9855 176.0366 27 E 3.8047 8.3551 120.6232 59.1207 28.9343 178.2307 28 E 3.9071 8.0164 118.4739 59.2609 29.7733 178.2500 29 K 4.2071 7.7415 117.2864 57.5048 32.6688 176.9081 30 L 4.4308 8.6437 117.7386 53.7527 43.4081 177.6497 31 G 3.9128 9.4917 106.0991 44.9092 0.0000 172.7541 32 L 4.3830 6.9483 116.0611 55.7826 42.4168 174.3485 33 V 3.9830 7.9690 119.6800 60.1897 32.0406 173.5519 34 P 4.4243 0.0000 0.0000 63.3804 31.8345 177.5043 35 N 4.4283 9.8389 121.4736 56.0376 38.5031 177.7939 36 V 3.4592 8.1022 120.5390 65.0006 31.1352 178.3291 37 L 4.1218 7.9249 119.3021 57.4461 41.2331 179.6572 38 K 4.1883 7.8182 117.0487 59.1636 32.0966 178.7901 39 A 4.1499 7.8365 120.6092 55.3294 18.7588 178.8470 40 Y 3.8891 8.0891 113.5656 59.7036 37.9264 177.4236 41 A 4.2354 7.8434 120.9860 53.8614 18.5283 178.3879 42 F 4.2703 8.1987 111.7421 58.8165 38.4181 175.4483 43 D 4.4284 7.1774 120.2323 51.6557 43.7008 175.2014 44 D 4.3149 8.6759 127.9406 57.3352 40.8719 178.8714 45 K 3.9314 8.4685 119.3344 59.2425 31.9340 179.6102 46 K 3.9873 7.9851 118.2366 59.3132 32.1142 178.7055 47 L 3.8747 7.8142 120.6387 58.4974 41.9077 179.4078 48 R 3.8703 8.4320 118.8685 58.5700 30.1390 178.7561 49 A 3.9801 7.9663 120.5930 55.1546 18.3894 179.4815 50 F 3.9751 8.4784 119.5749 61.7098 39.5918 177.5556 51 T 4.0172 8.2908 109.5536 64.6263 68.4787 176.2652 52 D 4.3809 8.0553 121.9548 57.3328 40.9169 178.7453 53 I 3.6014 7.4822 119.9445 64.3113 36.8784 177.8326 54 Y 3.2138 7.7483 119.4871 60.5958 38.6369 177.6996 55 N 4.4938 7.9296 116.0392 56.2219 38.9676 176.5988 56 D 4.4173 7.8594 119.3415 57.1309 41.1237 177.3692 57 L 3.9551 7.1852 117.0078 56.1427 42.0299 177.1640 *59 L 4.1918 7.7636 116.4598 54.6264 43.4721 177.0460 60 G 3.8343 7.7973 110.3189 44.9165 0.0000 174.0724 61 E 4.1271 8.4161 115.5220 56.0504 30.2834 175.8929 62 S 4.6268 7.9323 113.2263 57.2744 64.8959 176.2728 63 G 4.0642 8.7159 113.2687 46.5367 0.0000 173.6527 64 L 4.6075 7.5141 120.5780 53.4799 42.7340 177.5098 65 S 4.4015 9.1850 118.7868 58.0364 65.0089 175.7857 66 K 3.9423 8.4879 121.6336 59.4129 31.5507 179.2611 67 L 3.9207 7.8480 119.1798 58.3303 42.1357 177.9693 68 D 4.5577 8.4764 117.8126 57.8142 41.0205 179.1850 69 R 4.1074 7.7590 118.1733 58.9876 30.1393 180.0187 70 E 4.1090 7.9592 117.4025 56.5599 29.6263 179.2423 *72 I 3.8911 7.8156 121.1354 61.3674 39.4803 177.9073 73 A 3.1561 7.8403 122.0147 54.8937 17.7984 179.9609 74 V 3.4076 7.5332 116.2732 65.8673 31.5278 177.8684 75 A 3.9682 7.8830 120.0983 55.3819 18.2522 179.6885 76 V 3.5101 7.7075 116.4277 66.3473 31.6446 178.5275 77 S 4.5877 8.0419 116.0462 60.8396 62.3977 176.6530 78 S 4.1112 8.2316 116.5305 61.2416 61.9132 176.1679 79 I 3.7015 7.3761 121.6059 64.1973 36.9923 177.4305 80 N 4.5738 7.9802 113.8807 52.8615 39.5258 174.4870 81 H 3.9268 7.4329 117.1479 56.7773 26.9484 176.0308 82 C 4.4841 8.1892 120.1661 58.2670 31.4997 172.8733 83 Y 4.3261 8.9119 128.8204 61.0152 38.3638 177.0799 84 Y 3.4522 8.0704 119.5845 61.0430 38.8641 177.9362 85 C 4.4165 8.2265 116.9770 62.6412 28.4515 175.7746 86 L 3.9535 8.2090 120.9370 58.1549 41.2174 179.7698 87 T 3.6785 7.5768 114.9685 66.4525 68.3731 176.7191 88 A 2.5800 7.2779 122.2878 55.0997 18.3641 179.2316 89 H 4.3660 8.2725 114.4716 57.7882 28.9663 178.1155 90 G 3.6255 7.8046 107.3235 47.7845 0.0000 175.5063 91 A 3.9734 7.8451 123.0722 54.7961 18.3567 179.3672 92 A 3.9624 7.6455 118.8716 55.4067 18.3302 180.1388 93 V 3.5045 7.9697 116.5280 66.1890 31.7256 178.3265 94 R 3.9133 7.9016 117.8638 59.4179 29.7075 178.9161 95 Q 3.9383 7.9500 117.8074 59.3262 29.2313 177.9001 96 L 4.1830 8.1964 119.2786 57.1722 41.7439 178.8663 97 S 4.4776 8.2721 113.3529 58.2375 63.5015 175.4160 98 G 3.8049 7.8066 108.8612 45.7105 0.0000 173.0304 99 D 4.7271 8.0065 119.5964 50.8609 41.9720 174.3782 100 P 4.3268 0.0000 0.0000 65.3365 31.1601 178.2749 101 A 4.0029 8.0459 118.4745 54.8648 18.3765 178.8352 102 L 4.1571 7.7436 118.2999 58.3616 42.4855 179.0789 103 G 3.8846 7.7415 104.3877 47.7640 0.0000 175.7068 104 E 4.2692 7.4616 117.9135 56.6250 28.8608 177.9638 *106 L 4.4464 7.9693 120.9055 54.9853 43.4065 178.4978 107 V 3.4215 7.7273 115.5321 64.6854 31.5451 175.1865 *109 N 4.4350 7.9347 117.0621 53.6767 38.7864 174.2489 110 F 4.2682 8.7634 122.1231 59.6364 37.9368 177.7201 111 R 3.6685 6.9314 118.7086 58.0365 29.8057 177.4136 112 A 4.1125 7.8769 119.8821 53.5295 18.9109 177.8668 113 A 4.2447 7.6688 118.8115 52.4105 19.0964 177.9159 114 D 4.7643 8.3222 121.6772 52.7376 39.7169 175.9253 115 L 4.7575 7.5954 121.2958 52.8149 44.1411 177.4343 116 S 4.4478 9.0732 117.2074 57.5390 65.1102 173.8075 117 P 4.2497 0.0000 0.0000 65.5677 30.8151 178.8733 118 R 3.8470 7.8834 116.0865 59.7837 30.1222 178.2413 119 Q 4.2489 8.1151 116.2871 59.0294 28.9313 178.7571 120 T 4.1966 8.2795 116.8803 66.4961 68.5770 177.2996 121 A 4.1599 7.9493 119.6989 53.2554 18.6019 178.9806 *123 L 3.9856 7.8737 122.2170 56.1598 43.9275 179.1518 124 E 4.0341 8.7767 118.4007 59.3771 29.2745 179.0769 125 F 4.0296 8.3580 120.2219 61.2833 39.4774 176.5986 126 A 3.8761 8.1481 119.8242 55.3801 18.0414 179.4431 127 V 3.4805 8.0320 116.6316 66.1004 31.5310 178.1440 128 K 3.8437 8.0059 119.1808 59.4246 31.8311 178.3899 129 L 3.6977 7.5052 119.7216 58.3439 41.8945 178.9571 130 T 3.9964 7.5557 114.8145 66.5937 68.5509 176.3747 131 E 4.2658 8.4203 119.6638 58.0315 31.2568 177.5562 132 E 4.7395 8.4154 116.3103 54.0439 30.0890 173.9400 133 P 4.0493 0.0000 0.0000 66.2819 31.9761 179.2110 134 A 4.0425 8.0251 120.5163 54.2019 18.2890 177.8245 135 K 4.4972 7.8475 113.6200 55.9892 32.5835 176.5675 136 I 4.0306 7.5312 121.1367 61.5179 37.6148 175.6826 137 V 4.5791 9.5345 117.3505 58.6478 36.1684 175.8115 138 E 3.9431 8.9785 120.0358 59.7527 29.1174 178.1395 139 A 4.0190 8.2184 120.1394 55.6002 18.3125 179.2154 140 D 4.4117 8.2094 116.9610 57.6038 40.9753 179.1157 141 R 3.8679 8.1110 117.7605 59.2988 30.1714 178.7033 142 A 3.9974 8.3852 120.5569 55.2169 18.2069 179.3431 143 A 4.0698 8.3051 119.3231 55.5145 18.3863 179.9407 144 L 4.1394 7.5378 116.0000 57.9631 41.6818 179.9212 145 R 4.2527 8.0636 119.5110 58.6030 29.7843 178.8914 146 K 3.9217 8.4361 118.7260 59.3523 32.2462 178.0219 147 A 4.2313 7.5852 118.8612 52.7462 18.5108 178.0163 148 G 3.8315 7.7333 105.8446 45.1108 0.0000 173.6826 149 F 4.6751 7.9740 118.8577 56.5708 39.9118 176.0726 150 S 4.5320 8.9923 120.2729 57.5069 65.7111 175.2276 151 D 4.3734 8.4727 120.8042 57.2111 40.4305 178.9794 152 R 3.9359 7.9733 119.1776 59.3875 30.1452 178.0620 153 D 4.4087 7.8885 118.8670 57.4540 40.7713 178.7705 154 I 3.4148 7.8827 120.3709 64.0350 37.0334 178.1117 155 W 4.0471 8.4863 129.3567 60.7362 30.4898 177.7937 156 D 4.4008 8.3909 118.7337 57.1856 40.2526 178.7416 157 I 3.5752 8.1650 120.4466 64.3007 37.0352 178.2844 158 A 4.0609 8.1004 121.6774 55.3863 18.1488 179.9140 159 S 3.8085 8.0388 113.9843 61.7681 62.8124 176.9634 160 T 3.9139 7.9410 118.1724 66.7434 68.2320 176.5271 161 A 4.0571 8.2339 122.3637 55.0536 18.1835 179.3876 162 A 3.8948 8.0146 118.5379 55.3542 18.5173 179.2181 163 F 4.0634 8.2064 118.1990 61.5051 39.7093 177.0119 164 F 4.0160 8.3745 116.4451 59.2373 37.1969 177.0867 165 N 4.7470 7.7205 115.6319 53.7402 38.3988 177.1406 *167 S 4.3459 8.0355 118.0600 58.7514 65.0513 175.9944 168 N 4.3913 8.3128 117.5531 56.6147 38.2276 177.7458 169 R 3.9385 7.4475 117.9684 58.9901 30.0416 179.1963 170 V 3.4970 7.7192 117.3452 65.9570 31.7479 177.4380 171 A 3.9014 8.2155 120.5410 55.4837 17.9724 179.5727 172 A 4.0212 8.0696 117.5476 55.1691 18.5206 179.4399 173 A 4.1017 8.1123 118.9328 54.2603 18.7622 178.8275 174 I 4.0961 7.5856 109.0099 58.8074 38.8374 171.3551 175 D 4.3468 7.5409 127.5972 53.7210 42.7456 172.4349 *177 R 4.5582 8.3807 123.4301 55.5044 31.2649 173.6350 178 P 4.5007 0.0000 0.0000 61.5977 32.7163 175.7939 179 N 4.3669 8.7563 117.2579 53.6343 38.6699 175.9286 180 D 4.4500 8.6838 120.7794 57.4228 40.9270 178.3859 181 E 3.9782 8.0515 118.6936 59.3353 29.0989 178.6366 182 Y 4.1877 7.2553 115.8253 61.4551 37.9575 177.4072 183 H 4.3175 7.7023 114.7187 58.7270 29.0986 176.2461 184 A 4.1643 7.2105 122.9126 50.7363 17.2543 177.0172 *186 A 4.1787 7.6231 128.2762 51.9433 20.1322 177.5709 187 R 4.2493 7.7272 124.2694 56.1650 30.5994 176.8566 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 T 8.16 4.29 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 G 8.10 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 4 K 8.42 4.71 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.44 7.81 5 I 8.32 4.01 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 1.49 0.76 0.96 0.00 0.00 6 S 7.62 5.15 0.00 4.12 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 7 A 9.04 4.29 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.29 4.32 0.00 1.50 1.48 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.31 4.47 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.32 0.00 1.49 1.22 0.66 -0.04 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 *13 G 8.36 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 14 E 8.63 4.26 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 15 L 8.13 4.32 0.00 1.62 1.57 1.11 0.99 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 16 S 8.16 4.42 0.00 4.00 3.96 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 17 E 8.51 3.93 0.00 1.98 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 2.39 2.34 0.00 18 P 0.00 4.21 0.00 2.07 2.06 0.00 3.55 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 2.07 2.16 0.00 19 T 7.66 3.55 4.10 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 0.37 0.00 0.00 20 K 7.87 3.84 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.65 7.81 21 A 8.17 4.00 1.40 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 0.00 0.00 0.00 22 Y 8.30 4.10 0.00 3.05 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 23 F 8.66 4.48 0.00 3.20 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 24 A 8.49 4.02 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 25 K 8.12 3.82 0.00 1.91 1.78 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.66 7.81 26 C 7.93 3.82 0.00 3.03 3.07 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 27 E 8.36 3.80 0.00 2.11 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 2.30 2.34 0.00 28 E 8.02 3.91 0.00 2.20 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 0.00 2.32 2.32 0.00 29 K 7.74 4.21 0.00 1.78 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 30 L 8.64 4.43 0.00 1.80 1.63 0.96 0.34 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 31 G 9.49 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 32 L 6.95 4.38 0.00 1.53 1.46 0.75 0.19 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 33 V 7.97 3.98 1.80 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 0.02 0.00 0.00 0.84 0.00 0.00 34 P 0.00 4.42 0.00 2.28 2.17 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 35 N 9.84 4.43 0.00 3.05 3.01 0.00 0.00 6.35 7.22 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 36 V 8.10 3.46 1.87 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 0.88 0.00 0.00 0.60 0.00 0.00 37 L 7.92 4.12 0.00 1.77 2.13 1.14 0.93 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 38 K 7.82 4.19 0.00 1.86 1.89 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.11 1.20 7.81 39 A 7.84 4.15 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 40 Y 8.09 3.89 0.00 3.00 2.89 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 0.00 0.00 0.00 41 A 7.84 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.20 4.27 0.00 3.14 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 D 7.18 4.43 0.00 2.40 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 0.00 0.00 0.00 44 D 8.68 4.31 0.00 2.74 2.62 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 0.00 45 K 8.47 3.93 0.00 2.00 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 46 K 7.99 3.99 0.00 1.86 2.02 0.00 1.40 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.42 7.81 47 L 7.81 3.87 0.00 1.93 1.80 1.06 0.89 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 48 R 8.43 3.87 0.00 1.96 1.91 0.00 3.23 0.00 0.00 3.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 49 A 7.97 3.98 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 50 F 8.48 3.98 0.00 2.55 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 51 T 8.29 4.02 4.30 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 1.45 0.00 0.00 52 D 8.06 4.38 0.00 2.94 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 53 I 7.48 3.60 1.78 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 1.46 1.14 0.78 0.00 0.00 54 Y 7.75 3.21 0.00 2.15 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.93 4.49 0.00 2.83 2.87 0.00 0.00 7.04 7.44 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 56 D 7.86 4.42 0.00 2.82 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 57 L 7.19 3.96 0.00 1.41 1.07 0.77 0.40 0.00 0.00 0.00 0.00 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0.00 1.53 1.50 7.81 67 L 7.85 3.92 0.00 1.62 1.71 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.48 4.56 0.00 2.87 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 69 R 7.76 4.11 0.00 1.90 1.93 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 70 E 7.96 4.11 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 2.47 2.52 0.00 *72 I 7.82 3.89 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 0.89 0.00 0.00 73 A 7.84 3.16 0.14 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 0.00 0.00 74 V 7.53 3.41 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 1.09 0.00 0.00 0.95 0.00 0.00 75 A 7.88 3.97 1.12 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 0.00 0.00 0.00 0.00 0.00 76 V 7.71 3.51 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 1.13 0.00 0.00 0.99 0.00 0.00 77 S 8.04 4.59 0.00 4.05 3.94 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 78 S 8.23 4.11 0.00 4.11 4.06 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 79 I 7.38 3.70 2.02 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 1.56 0.81 0.97 0.00 0.00 80 N 7.98 4.57 0.00 2.89 2.90 0.00 0.00 7.20 7.46 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 81 H 7.43 3.93 0.00 3.28 3.36 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.19 4.48 0.00 3.04 2.93 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 83 Y 8.91 4.33 0.00 3.09 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 84 Y 8.07 3.45 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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1.30 1.38 7.81 129 L 7.51 3.70 0.00 1.17 1.57 0.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.56 4.00 4.35 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 1.25 0.00 0.00 131 E 8.42 4.27 0.00 1.86 1.99 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 2.33 2.47 0.00 132 E 8.42 4.74 0.00 2.03 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 2.15 2.20 0.00 133 P 0.00 4.05 0.00 2.19 2.42 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 134 A 8.03 4.04 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 0.00 135 K 7.85 4.50 0.00 1.83 1.81 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.36 7.81 136 I 7.53 4.03 1.86 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 1.35 0.58 0.99 0.00 0.00 137 V 9.53 4.58 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 0.87 0.00 0.00 1.04 0.00 0.00 138 E 8.98 3.94 0.00 2.10 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 2.47 0.00 139 A 8.22 4.02 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 0.00 140 D 8.21 4.41 0.00 3.10 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 0.00 141 R 8.11 3.87 0.00 2.04 1.97 0.00 3.36 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 142 A 8.39 4.00 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 0.00 143 A 8.31 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.54 4.14 0.00 1.85 1.70 -0.30 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.06 4.25 0.00 2.04 1.99 0.00 3.15 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 146 K 8.44 3.92 0.00 1.89 1.99 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 147 A 7.59 4.23 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 0.00 148 G 7.73 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 0.00 0.00 0.00 149 F 7.97 4.68 0.00 3.26 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 0.00 150 S 8.99 4.53 0.00 4.07 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.47 4.37 0.00 2.72 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 0.00 152 R 7.97 3.94 0.00 1.90 1.94 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 153 D 7.89 4.41 0.00 3.09 2.82 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 0.00 154 I 7.88 3.41 2.01 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 1.13 0.69 0.72 0.00 0.00 155 W 8.49 4.05 0.00 3.51 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 0.00 156 D 8.39 4.40 0.00 2.90 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 0.00 157 I 8.16 3.58 1.62 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.37 0.90 0.00 0.00 158 A 8.10 4.06 1.33 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 0.00 159 S 8.04 3.81 0.00 3.64 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 7.94 3.91 4.39 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 1.32 0.00 0.00 161 A 8.23 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 3.89 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 0.00 163 F 8.21 4.06 0.00 2.92 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 0.00 164 F 8.37 4.02 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 N 7.72 4.75 0.00 2.84 2.79 0.00 0.00 6.79 8.67 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 *167 S 8.04 4.35 0.00 3.68 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 0.00 168 N 8.31 4.39 0.00 2.83 2.92 0.00 0.00 7.09 7.20 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 0.00 169 R 7.45 3.94 0.00 1.82 1.96 0.00 3.26 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 170 V 7.72 3.50 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 0.95 0.00 0.00 0.93 0.00 0.00 171 A 8.22 3.90 1.43 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 0.00 0.00 0.00 172 A 8.07 4.02 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 0.00 173 A 8.11 4.10 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 0.00 174 I 7.59 4.10 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.89 0.00 0.00 175 D 7.54 4.35 0.00 2.99 2.66 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 0.00 0.00 0.00 0.00 *177 R 8.38 4.56 0.00 2.12 2.07 0.00 3.64 0.00 0.00 3.62 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 178 P 0.00 4.50 0.00 1.71 0.89 0.00 3.77 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.00 179 N 8.76 4.37 0.00 2.25 2.76 0.00 0.00 6.57 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 0.00 180 D 8.68 4.45 0.00 2.81 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 0.00 181 E 8.05 3.98 0.00 1.74 1.80 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 2.26 2.38 0.00 182 Y 7.26 4.19 0.00 2.88 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 0.00 183 H 7.70 4.32 0.00 3.24 3.39 0.00 5.65 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 0.00 184 A 7.21 4.16 1.21 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 *186 A 7.62 4.18 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.73 4.25 0.00 1.79 1.82 0.00 3.43 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.