NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9590 8.3393 109.7364 45.4579 0.0000 173.6285 3 K 4.1779 7.5262 112.3506 55.8874 33.7397 176.3675 4 A 4.1379 7.6715 121.9359 53.7739 20.0809 179.0845 5 V 4.4200 7.6607 118.3310 60.8649 33.8048 172.5741 6 I 4.6302 8.1224 120.3402 59.2202 41.1215 174.2880 7 A 4.7752 8.3143 127.0600 50.3438 22.0681 175.3547 8 I 4.7211 8.0625 113.1931 59.2644 40.9216 174.1347 9 H 4.9425 8.2410 115.1970 54.1317 31.3556 173.0206 10 G 3.5012 8.5896 107.9331 45.3377 0.0000 173.1254 11 G 3.9936 8.6180 107.0105 44.8755 0.0000 173.8147 12 A 4.6911 8.5201 125.5514 49.6726 21.3636 177.5967 13 G 3.8428 7.6839 105.3302 46.4282 0.0000 172.7663 14 A 4.2955 8.1577 119.3715 50.8054 17.1693 175.7885 15 I 4.2545 7.4504 120.4474 59.3054 38.4678 175.9491 16 S 4.8247 8.1920 120.8815 56.3378 66.3785 175.3620 17 R 3.9283 8.7085 122.7601 59.4223 30.1614 179.0278 18 A 3.9762 8.0721 119.1235 55.2070 18.4283 177.9136 19 Q 4.5116 7.5950 111.0424 56.0159 28.7586 175.3551 20 M 4.9070 7.7587 116.9276 52.8788 36.2218 175.1787 21 S 4.8589 8.3082 115.3381 56.3994 66.8242 174.9640 22 L 4.2169 8.3599 125.7933 58.1079 41.7151 179.5537 23 Q 3.9896 8.0219 117.3046 58.9293 28.8110 178.3871 24 Q 4.1050 7.7267 119.0983 58.9362 28.4261 178.6863 25 E 4.1079 8.4398 119.8486 59.4354 29.4858 179.3405 26 L 4.0569 8.7028 119.4394 57.8243 41.6886 179.6396 27 R 3.8611 8.0157 117.9924 59.6842 29.9600 178.7682 28 Y 3.9909 7.9635 115.8074 60.9665 37.7561 178.5729 29 I 3.8090 8.3081 121.1603 64.5087 37.2799 178.3026 30 E 3.9657 8.9566 119.5724 59.3465 29.4042 179.3774 31 A 4.0458 8.1874 120.7356 55.0784 18.4112 179.6123 32 L 3.9985 8.3022 117.6624 58.0389 41.6725 179.6792 33 S 4.0665 8.3966 112.9221 61.4587 62.3665 176.0197 34 A 4.0067 8.0821 123.3574 55.2308 18.1053 179.7784 35 I 3.7188 7.7571 118.1770 64.4322 37.2415 179.0393 36 V 3.6482 8.0268 120.2571 64.8616 31.0963 178.2347 37 E 3.9775 8.5399 119.6207 59.3472 29.2865 179.3372 38 T 3.9565 8.0277 115.8797 66.6350 68.4976 176.7735 39 G 3.6079 8.1268 107.3884 47.9649 0.0000 175.5788 40 Q 4.0154 8.4213 121.1890 58.7767 28.8309 179.3831 41 K 3.9992 8.3822 119.6247 59.5260 32.0301 179.4596 42 M 4.0648 8.0721 119.1429 58.2257 31.8534 178.6032 43 L 3.9737 8.0563 119.1902 58.1181 41.6574 179.3878 44 E 4.0228 8.1996 116.7730 59.3346 29.4900 178.6091 45 A 4.3358 7.6671 117.7844 52.3489 18.7552 178.0875 46 G 3.8752 8.1844 106.2406 45.2253 0.0000 174.0576 47 E 4.1848 7.8591 118.7496 55.7168 30.1731 177.6235 48 S 4.4181 8.3357 115.7557 57.8227 65.4868 174.9482 49 A 3.9600 8.5792 125.1769 55.4404 18.0649 179.9164 50 L 3.8566 7.8354 117.9717 58.6177 42.2797 178.8475 51 D 4.3891 8.1578 118.7239 57.1884 40.5929 179.1473 52 V 3.5626 8.0462 119.1725 66.2220 31.6611 178.6670 53 V 3.6164 8.2290 112.5911 64.4094 31.3090 178.7391 54 T 3.8494 7.9842 115.6582 66.6966 68.3596 176.2681 55 E 3.9253 8.3761 120.9654 59.0187 29.6706 178.4841 56 A 3.9609 8.1966 121.1056 55.4431 18.4590 179.9190 57 V 3.5600 7.8841 116.5032 65.8531 31.4531 178.2205 58 R 4.1297 7.9847 118.8384 59.2881 29.6593 178.5463 59 L 4.0321 7.7153 118.1657 57.6849 41.7258 179.0482 60 L 4.2746 7.8612 118.0890 57.6966 41.6671 179.0839 61 E 4.5127 8.5509 120.3270 58.5176 30.5663 177.9127 62 E 4.5346 7.9042 117.6326 56.0416 26.8199 175.3262 *64 P 4.7085 0.0000 0.0000 62.2791 33.9901 179.5151 65 L 3.8020 7.7330 117.0131 56.4188 41.6151 177.0161 66 F 5.1638 7.5313 115.9984 55.6240 41.2722 175.9472 67 N 4.8172 8.7387 123.4449 51.3217 37.1746 173.2247 68 A 4.3681 8.1333 120.6814 52.0204 23.5666 176.6564 69 G 3.7505 8.0872 110.9370 46.2839 0.0000 175.6529 70 I 4.0669 8.6835 126.2117 62.7005 37.0679 176.6154 71 G 4.0841 9.1872 112.9214 46.1223 0.0000 173.3925 72 A 4.1330 7.5793 122.1966 52.1487 18.7154 178.5244 73 V 4.0036 8.3336 114.8119 61.2147 32.4998 175.6147 74 F 4.9621 8.4807 119.3813 55.8806 41.0632 176.3799 75 T 4.3208 8.7343 115.0741 60.6922 69.8491 175.2544 76 R 3.8887 8.5965 120.8456 59.3099 29.9054 176.5211 77 D 4.7804 8.1216 115.4218 53.5477 40.8124 175.8951 78 E 3.9651 8.1720 117.3141 58.0594 27.4383 173.9945 79 T 4.7549 7.8506 106.7570 60.0893 71.9845 171.5233 80 H 5.1591 8.5823 117.9431 53.9635 31.0448 173.8071 81 E 4.6077 8.8193 122.1397 54.6344 32.0162 175.1606 82 L 4.7665 8.7007 124.8771 53.0089 44.6639 175.5670 83 D 5.3861 8.3141 120.2316 53.0719 45.0895 174.3824 84 A 4.6054 8.7924 120.8655 51.6862 23.1482 174.8131 85 C 5.2725 8.4255 118.4379 58.0402 35.2789 173.5681 86 V 4.5970 8.9613 123.0300 60.3095 34.6729 173.6604 87 M 5.1563 8.5562 122.5732 53.8532 35.5419 173.6711 88 D 4.6965 8.7989 126.2917 52.7487 42.0435 177.1639 89 G 3.7823 8.8141 115.3894 47.2147 0.0000 173.4669 90 N 4.4188 9.5930 120.3436 56.5608 39.0292 176.0412 91 T 4.1922 7.9892 104.7342 61.0986 69.7114 174.9155 92 L 3.6711 7.9164 120.5753 55.5483 39.9966 174.4968 93 K 4.5087 7.8056 118.1501 56.3487 33.6080 175.7869 94 A 5.0382 8.2512 122.1697 50.9535 22.9265 175.3570 95 G 4.3843 9.0042 105.6770 44.7160 0.0000 171.6078 96 A 5.2484 8.9866 123.2755 50.5488 23.2213 175.6513 97 V 5.5469 9.1517 112.8727 58.5291 36.0057 174.7769 98 A 4.8334 8.0306 123.9123 50.6506 23.0412 176.1423 99 G 3.9581 9.5587 108.0283 46.8086 0.0000 173.6268 100 V 4.4480 7.7526 112.6983 59.7068 33.0271 177.1454 101 S 4.7172 9.3207 118.5614 58.5403 64.7553 174.4720 102 H 5.3045 8.4577 116.3272 54.2407 29.4640 172.4581 103 L 5.1102 8.0478 119.4534 52.7172 43.8011 176.3083 104 R 4.2279 9.1459 124.5537 58.9289 30.3226 175.9621 105 N 5.2766 7.7931 116.0322 48.8804 39.7623 172.6420 106 P 4.2997 0.0000 0.0000 65.5114 31.4535 178.6233 107 V 3.6890 8.6996 118.2928 64.7481 31.2293 178.5443 108 L 4.0083 8.0224 119.4480 57.4547 41.4482 179.2256 109 A 4.0563 7.9428 120.2067 54.9543 18.3904 179.3457 110 A 3.9502 8.4322 119.7864 55.4254 18.4694 179.8570 111 R 3.8673 8.2100 117.2518 59.3590 30.0573 178.5103 112 L 4.0073 8.0393 120.3574 57.9925 41.9275 179.0466 113 V 3.5525 8.0799 118.2441 66.3011 31.2615 177.6447 114 M 3.9437 8.0148 116.4631 58.4191 32.1856 177.2574 115 E 4.5057 8.3163 116.5195 56.7739 30.3391 176.8642 116 Q 4.7352 8.4974 116.8792 55.0873 29.6220 174.7570 117 S 4.7144 7.6168 111.6820 56.4459 66.0343 172.0573 118 P 4.3643 0.0000 0.0000 63.6509 31.3595 175.5689 119 H 4.7967 7.9407 117.1474 54.8697 30.9024 174.3260 120 V 4.6080 8.1287 118.2376 63.4377 33.6682 175.0916 121 M 5.2389 7.8438 118.1718 53.9851 35.1129 174.3807 122 M 4.9872 9.1605 125.0428 53.4126 36.4804 174.4877 123 I 4.8982 7.8964 113.9952 59.5592 41.5393 176.1010 124 G 3.7557 8.8402 111.4715 45.5933 0.0000 175.1633 125 E 4.0285 9.0527 118.4676 59.5470 29.4763 179.6530 126 G 3.5616 8.0458 104.7147 47.8234 0.0000 175.3593 127 A 4.0454 7.9135 123.6457 54.8126 18.3130 179.6203 128 E 3.4733 8.1902 117.0687 59.4384 29.3876 179.3644 129 N 4.2562 8.2379 116.7954 55.9380 38.6501 177.1983 130 F 4.0796 8.1064 121.8070 61.3376 39.5150 176.9688 131 A 3.6712 7.9308 120.2183 55.1207 18.0451 179.6046 132 F 4.9163 8.2928 117.7039 60.3791 38.7949 177.8207 133 A 4.0616 8.1087 119.3468 54.7245 18.2102 178.9137 134 R 4.1545 7.2433 114.0606 56.3407 30.4199 177.3609 135 G 3.9860 8.1839 108.0852 45.1136 0.0000 173.7622 136 M 4.2784 8.2570 120.2713 55.1363 32.9581 175.0262 137 E 4.6455 8.4331 124.2432 54.8889 31.3232 175.8140 138 R 4.5351 8.0791 122.6165 56.5396 30.6219 175.9009 139 V 4.5617 8.7621 119.0135 59.1507 35.8886 174.8684 140 S 4.4576 8.3681 116.8979 57.6887 63.2480 173.4244 141 P 4.6879 0.0000 0.0000 65.0172 31.5428 178.2713 142 E 4.1955 8.0982 118.0033 58.5562 29.6472 179.0141 143 I 3.5232 7.1667 111.8580 63.6161 37.6679 177.3665 144 F 4.4197 7.0945 118.5387 59.3155 39.0871 175.6788 145 S 4.7340 8.0093 118.2215 58.4628 63.3732 174.2907 146 T 4.8094 8.4786 114.6570 59.1036 72.7607 175.0653 147 S 4.2398 8.8499 118.6628 61.6974 62.9318 176.4095 148 L 3.9899 8.0504 123.1950 58.4364 41.9019 179.2243 149 R 4.1396 7.9428 116.7689 59.3668 30.0160 178.5238 150 Y 3.6547 8.4641 119.6314 60.5348 38.6913 177.8327 151 E 3.9600 8.6997 119.9730 59.4565 29.5524 179.3357 152 Q 3.9938 7.9902 117.7904 58.5852 28.7092 178.5929 153 L 3.8742 7.8107 121.4474 58.2108 42.2719 179.0679 154 L 3.7994 7.5742 118.6408 57.6347 41.2416 179.4041 155 A 4.0213 7.9545 119.7553 54.7056 18.3363 179.1711 156 A 4.1014 7.7521 118.9238 55.0040 18.5479 179.8185 157 R 3.9747 7.7361 116.1857 59.1376 30.2806 177.2976 158 K 4.2302 7.6751 122.1027 56.6901 32.3737 176.2044 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 G 8.34 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 0.00 0.00 0.00 3 K 7.53 4.18 0.00 1.95 1.90 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 4 A 7.67 4.14 1.26 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 0.00 0.00 0.00 5 V 7.66 4.42 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 0.66 0.00 0.00 0.93 0.00 0.00 6 I 8.12 4.63 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.91 0.00 0.00 7 A 8.31 4.78 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 8 I 8.06 4.72 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 0.87 0.00 0.00 9 H 8.24 4.94 0.00 3.13 3.21 0.00 5.47 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 10 G 8.59 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.62 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 12 A 8.52 4.69 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 13 G 7.68 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 14 A 8.16 4.30 1.25 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 0.00 0.00 15 I 7.45 4.25 1.82 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 1.36 0.77 0.80 0.00 0.00 16 S 8.19 4.82 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.71 3.93 0.00 1.83 1.98 0.00 3.40 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 18 A 8.07 3.98 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 Q 7.60 4.51 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 20 M 7.76 4.91 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 21 S 8.31 4.86 0.00 4.02 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 22 L 8.36 4.22 0.00 1.79 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.02 3.99 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 24 Q 7.73 4.11 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 25 E 8.44 4.11 0.00 2.14 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 2.34 2.48 0.00 26 L 8.70 4.06 0.00 1.67 1.74 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.02 3.86 0.00 1.93 1.76 0.00 3.09 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 28 Y 7.96 3.99 0.00 3.18 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 29 I 8.31 3.81 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.99 0.96 0.00 0.00 30 E 8.96 3.97 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 2.35 2.48 0.00 31 A 8.19 4.05 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 32 L 8.30 4.00 0.00 1.94 1.78 1.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.40 4.07 0.00 3.97 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 34 A 8.08 4.01 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 35 I 7.76 3.72 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.03 0.90 0.00 0.00 36 V 8.03 3.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.93 0.00 0.00 37 E 8.54 3.98 0.00 2.21 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 2.34 2.57 0.00 38 T 8.03 3.96 4.44 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 1.22 0.00 0.00 39 G 8.13 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.42 4.02 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 41 K 8.38 4.00 0.00 2.02 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 42 M 8.07 4.06 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 43 L 8.06 3.97 0.00 1.88 1.72 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.20 4.02 0.00 2.11 2.03 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 2.35 2.45 0.00 45 A 7.67 4.34 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 46 G 8.18 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 47 E 7.86 4.18 0.00 2.03 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 2.48 2.39 0.00 48 S 8.34 4.42 0.00 4.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.58 3.96 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 50 L 7.84 3.86 0.00 1.77 1.67 0.92 1.27 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 51 D 8.16 4.39 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.05 3.56 2.22 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 1.15 0.00 0.00 0.95 0.00 0.00 53 V 8.23 3.62 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.04 0.00 0.00 54 T 7.98 3.85 4.44 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 1.22 0.00 0.00 55 E 8.38 3.93 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 2.31 2.37 0.00 56 A 8.20 3.96 1.36 0.00 0.00 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0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.53 5.16 0.00 3.22 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 67 N 8.74 4.82 0.00 2.73 2.83 0.00 0.00 6.84 7.96 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 68 A 8.13 4.37 1.22 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 0.00 0.00 0.00 69 G 8.09 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 70 I 8.68 4.07 2.16 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.15 0.93 0.00 0.00 71 G 9.19 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 72 A 7.58 4.13 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.33 4.00 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 0.81 0.00 0.00 0.97 0.00 0.00 74 F 8.48 4.96 0.00 2.99 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 75 T 8.73 4.32 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 1.27 0.00 0.00 76 R 8.60 3.89 0.00 1.81 2.04 0.00 3.22 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 77 D 8.12 4.78 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.17 3.97 0.00 2.24 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 0.00 2.24 2.27 0.00 79 T 7.85 4.75 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 1.27 0.00 0.00 80 H 8.58 5.16 0.00 3.05 3.03 0.00 5.64 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 81 E 8.82 4.61 0.00 1.79 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 82 L 8.70 4.77 0.00 1.49 1.35 -0.06 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.31 5.39 0.00 2.47 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 84 A 8.79 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 85 C 8.43 5.27 0.00 2.92 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 86 V 8.96 4.60 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 0.74 0.00 0.00 0.93 0.00 0.00 87 M 8.56 5.16 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 88 D 8.80 4.70 0.00 2.78 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 89 G 8.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.59 4.42 0.00 2.56 2.99 0.00 0.00 7.09 7.58 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 91 T 7.99 4.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 92 L 7.92 3.67 0.00 1.83 1.80 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.81 4.51 0.00 1.73 1.71 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.39 7.81 94 A 8.25 5.04 1.22 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 0.00 0.00 0.00 95 G 9.00 4.38 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 0.00 96 A 8.99 5.25 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 97 V 9.15 5.55 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 0.85 0.00 0.00 0.96 0.00 0.00 98 A 8.03 4.83 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 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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 0.87 0.00 0.00 0.93 0.00 0.00 108 L 8.02 4.01 0.00 1.94 1.78 0.94 0.74 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 0.00 109 A 7.94 4.06 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 0.00 110 A 8.43 3.95 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 0.00 111 R 8.21 3.87 0.00 2.03 2.15 0.00 3.16 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 1.64 1.71 0.00 112 L 8.04 4.01 0.00 2.19 1.93 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.08 3.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 114 M 8.01 3.94 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 115 E 8.32 4.51 0.00 2.09 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 2.29 2.43 0.00 116 Q 8.50 4.74 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 117 S 7.62 4.71 0.00 3.86 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 0.00 118 P 0.00 4.36 0.00 1.95 2.10 0.00 3.10 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 1.76 2.01 0.00 119 H 7.94 4.80 0.00 2.96 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.13 4.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.92 0.00 0.00 121 M 7.84 5.24 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 122 M 9.16 4.99 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.34 0.00 123 I 7.90 4.90 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.86 0.88 0.00 0.00 124 G 8.84 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 0.00 125 E 9.05 4.03 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 126 G 8.05 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 0.00 0.00 0.00 127 A 7.91 4.05 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 0.00 128 E 8.19 3.47 0.00 2.00 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 2.24 2.38 0.00 129 N 8.24 4.26 0.00 2.77 2.92 0.00 0.00 6.67 8.97 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 0.00 130 F 8.11 4.08 0.00 3.14 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 0.00 131 A 7.93 3.67 1.25 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 0.00 0.00 132 F 8.29 4.92 0.00 3.14 2.97 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 0.00 133 A 8.11 4.06 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 0.00 134 R 7.24 4.15 0.00 1.66 1.80 0.00 3.33 0.00 0.00 3.07 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.30 0.00 135 G 8.18 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 0.00 136 M 8.26 4.28 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 137 E 8.43 4.65 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 138 R 8.08 4.54 0.00 1.06 1.56 0.00 2.93 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 139 V 8.76 4.56 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 0.80 0.00 0.00 0.97 0.00 0.00 140 S 8.37 4.46 0.00 3.89 3.67 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 0.00 141 P 0.00 4.69 0.00 2.32 2.20 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 142 E 8.10 4.20 0.00 2.02 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 2.37 2.25 0.00 143 I 7.17 3.52 1.59 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.75 0.00 0.00 144 F 7.09 4.42 0.00 2.88 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 0.00 145 S 8.01 4.73 0.00 4.09 4.16 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 0.00 146 T 8.48 4.81 4.31 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 1.25 0.00 0.00 147 S 8.85 4.24 0.00 4.13 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 0.00 148 L 8.05 3.99 0.00 1.83 1.79 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.94 4.14 0.00 2.23 2.24 0.00 3.52 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 150 Y 8.46 3.65 0.00 2.94 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 0.00 151 E 8.70 3.96 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 152 Q 7.99 3.99 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 153 L 7.81 3.87 0.00 1.71 1.36 0.95 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.57 3.80 0.00 1.58 1.56 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.95 4.02 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 0.00 156 A 7.75 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 7.74 3.97 0.00 1.90 1.96 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 158 K 7.68 4.23 0.00 1.74 1.81 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.