NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7824 8.3129 109.7371 45.5399 0.0000 177.2603 *2 D 4.5790 9.1693 123.1221 52.5678 42.1531 176.8103 3 E 4.2077 7.9792 118.5572 56.0752 30.1528 175.9089 4 K 4.7216 8.1429 123.9549 53.4694 35.3408 174.2238 5 P 4.3491 0.0000 0.0000 63.0752 32.0441 177.1515 6 A 4.5201 8.2117 124.6686 50.6099 18.1755 174.6610 7 I 4.4308 7.6006 119.8125 60.3533 36.8933 176.1216 8 T 4.3570 8.3811 116.7004 62.8444 69.8705 175.1523 9 K 4.8010 7.8177 121.8480 55.5131 35.9710 173.7795 10 I 5.1686 8.8093 128.1430 59.6062 39.7175 174.7508 11 I 5.7851 8.9747 119.7458 58.7131 41.5088 174.1774 12 S 4.9692 8.3315 116.2063 57.9239 66.1412 174.8566 13 G 4.0881 8.9133 106.8937 45.2339 0.0000 175.0872 14 G 3.8221 7.9587 107.4307 45.1790 0.0000 174.2275 15 Q 4.1168 8.1239 121.3537 55.6164 29.8928 175.5229 16 T 4.1206 8.0961 111.7552 62.4898 70.6848 175.5572 17 G 4.1153 8.4353 109.7693 45.7011 0.0000 175.7804 18 A 3.9258 9.0121 124.4161 55.1090 17.6270 179.2765 19 D 4.3032 8.0784 116.8235 57.7025 40.8644 179.0640 20 R 3.8128 7.8578 118.9651 59.2012 30.0045 178.2958 21 A 3.6225 8.1676 120.5105 54.9023 18.2663 179.2706 22 A 3.9817 8.1012 119.2768 55.5277 18.3591 179.9568 23 L 3.8687 7.7404 117.1457 58.0219 41.6055 179.5153 24 D 4.4189 8.5184 119.1763 57.1092 40.7395 178.6223 25 F 3.9942 8.6490 121.3810 61.1496 39.3814 176.8723 26 A 4.0367 8.2491 120.3791 55.3897 18.3067 179.5736 27 I 3.6323 7.8567 118.3765 64.5162 36.9693 178.5529 28 K 3.8570 7.9562 119.1682 59.1571 31.9935 177.5265 29 H 4.4931 7.6052 113.3003 54.2498 29.2973 174.1847 30 H 4.0097 7.7274 118.9641 57.0962 28.7256 174.4053 31 I 4.3558 7.7484 118.0972 59.1870 38.4018 175.1891 32 P 4.5038 0.0000 0.0000 63.6105 32.4379 174.6382 33 Y 5.7402 7.1354 119.0950 55.8706 41.6893 174.2654 34 G 3.9176 7.9287 103.6514 47.5063 0.0000 171.8956 35 G 5.0998 7.2945 107.9750 44.4226 0.0000 171.7721 36 W 5.1908 9.1220 122.7186 55.5785 30.3839 176.1766 37 V 4.9848 8.8297 117.0479 58.5313 35.3555 173.4991 38 P 4.4860 0.0000 0.0000 62.1538 32.6009 176.0215 39 K 3.9736 8.3873 123.0903 58.6741 32.3187 177.3035 40 G 3.9096 9.4991 113.9794 44.8184 0.0000 173.2879 41 R 3.9201 8.1977 117.4848 56.9095 28.2171 176.3636 42 L 4.3299 8.0282 115.9819 55.1084 42.6475 176.4745 43 A 4.8058 8.0420 122.0681 51.7164 21.6417 175.3426 44 E 4.1148 9.0894 121.3483 57.8947 29.9796 178.1602 45 G 3.8475 8.7194 113.4396 45.3901 0.0000 172.8025 46 G 3.8087 8.0459 104.5531 43.4126 0.0000 173.3085 47 R 4.0217 8.3947 117.8042 56.7031 30.1975 176.1440 48 V 3.7432 8.5495 126.8345 62.6404 32.2340 173.9752 49 P 4.5052 0.0000 0.0000 63.1276 31.9345 177.3810 50 E 4.2032 9.0268 122.1293 58.9281 29.7196 178.5824 51 T 3.8940 7.8361 108.3499 64.1041 68.9755 173.9973 52 Y 4.4109 7.6390 120.4959 57.4095 38.2317 175.3367 53 Q 4.4188 9.2058 125.4777 55.2758 28.4065 175.0895 54 L 4.9100 8.3201 122.5549 52.8278 46.5094 175.7159 55 Q 4.4507 8.5918 118.8115 54.4538 31.3494 176.5820 56 E 5.0121 8.4052 123.5311 54.6881 31.7021 173.9966 *58 P 4.4611 0.0000 0.0000 62.8342 33.4451 176.1575 59 T 4.7444 7.3842 106.7060 59.4618 71.7781 174.1413 60 S 4.5260 8.4915 114.2628 58.6900 62.9868 174.1323 61 D 4.4432 7.8261 122.6467 54.2664 42.0534 176.0538 62 Y 4.5257 8.5720 125.0541 61.6497 38.0335 178.7067 63 S 4.4705 8.4132 115.4556 61.8415 62.9530 176.9317 64 K 3.9641 8.4944 121.3473 59.3151 31.7840 179.6665 65 R 3.9993 7.8960 116.1158 59.4705 29.4213 179.0165 66 T 3.9438 8.1261 116.5134 66.3883 68.4828 176.0781 67 E 3.3269 8.3147 121.3532 58.9534 29.4710 178.7743 68 K 3.6182 7.7877 119.5766 59.5511 31.9422 178.5593 69 N 4.5411 8.0786 115.7890 56.1976 38.4905 177.2754 70 V 3.8119 7.4674 118.7733 66.0611 31.7273 177.8335 71 L 4.0284 7.6703 117.6836 56.5184 41.6558 177.5345 72 D 5.0426 8.1242 117.6616 52.8208 42.7096 175.4384 73 S 4.7292 7.4073 110.4819 56.7411 66.3037 173.0941 74 D 4.5441 9.0441 120.6187 56.7559 41.3391 176.9081 75 G 4.1787 7.5619 103.2678 45.9658 0.0000 172.3829 76 T 5.4101 9.0320 116.5535 61.5816 72.1082 172.9750 77 L 4.7423 9.1904 129.3378 53.5072 44.1135 174.8827 78 I 4.8844 8.5577 127.5319 59.5865 39.7651 174.4917 79 I 4.9754 8.5596 128.2006 59.5503 40.0486 175.0437 80 S 4.5187 8.8019 120.0609 57.7186 67.3256 172.4995 81 H 4.9438 8.9892 117.0606 57.3029 29.8201 174.7944 82 G 3.8877 9.7103 110.5411 43.8521 0.0000 171.8620 83 I 3.8557 7.8088 111.6950 60.4026 37.9531 176.0219 84 L 4.0486 8.2705 123.0015 54.9852 42.3303 176.5686 85 K 4.6440 7.9343 120.7894 54.8405 37.3330 177.0259 86 G 3.7046 8.5223 108.0662 46.4884 0.0000 176.6312 87 G 3.6503 8.6443 105.8893 47.9801 0.0000 175.1292 88 S 4.0951 7.9761 116.6419 61.3451 62.9263 176.4099 89 A 3.9401 7.8529 123.1130 54.9349 17.9971 179.4417 90 L 3.6971 7.9392 118.9286 58.3353 42.0913 179.1097 91 T 4.0863 8.1096 115.9383 66.8867 68.4200 175.9417 92 E 3.9283 7.9930 120.3919 59.1999 29.5856 178.4578 93 F 4.0040 8.2538 120.5872 61.4178 39.4287 177.1218 94 F 4.2643 8.4557 117.3567 60.5648 38.6681 177.3998 95 A 4.1634 8.3694 120.4421 55.2968 17.8662 179.4585 96 E 3.8524 8.3102 117.0197 59.8811 29.3666 179.7952 97 Q 3.7413 7.6947 116.4618 58.0625 28.7159 177.2196 98 Y 4.6349 7.6188 115.0121 56.4872 38.5987 175.4296 99 K 3.8886 7.5017 118.0534 57.3713 30.2696 175.3391 100 K 4.5731 8.1278 117.4109 54.4631 33.6056 175.7946 101 P 4.5223 0.0000 0.0000 63.6763 32.5617 174.8791 102 C 5.3391 8.8105 122.8512 58.0475 34.8329 172.5231 103 L 4.2162 8.1053 127.7516 53.1979 44.4589 174.1837 104 H 5.1141 8.6203 126.2922 54.7379 31.4010 173.6410 105 I 4.0468 8.4920 127.8385 59.9232 38.8900 174.4609 106 D 4.8057 8.2591 127.9647 52.5398 41.9419 176.0706 107 L 4.5898 8.7771 125.4609 55.0614 41.4947 178.0179 108 D 4.6072 8.4917 118.7503 55.3343 41.3649 177.0755 109 R 4.5020 8.0249 116.8540 55.9436 32.3427 175.9518 110 I 4.6271 7.2170 116.8786 57.9071 41.3435 174.4753 111 S 4.5047 8.3674 121.1832 57.9214 65.1722 175.3580 112 I 3.6439 8.2242 116.9788 64.2680 36.7921 178.2643 113 E 3.9705 8.0665 119.7727 59.4153 29.4073 178.9160 114 D 4.3532 8.0046 118.3313 57.0797 40.7751 178.5407 115 A 3.8909 8.2398 121.3609 55.1529 18.2834 179.4047 116 A 3.8753 8.0788 119.1213 55.6179 18.4036 179.9504 117 T 3.8435 7.6241 113.5199 66.8317 68.5890 176.7200 118 L 3.9977 7.8522 120.7570 57.9772 41.5919 179.7379 119 I 3.6859 7.8880 119.9030 64.1400 36.9072 177.9316 120 N 4.5798 8.3738 118.0374 57.0640 38.8648 177.0528 121 S 4.1912 8.2685 116.4785 61.2944 62.8991 176.6568 122 W 4.2593 8.4331 131.2322 60.6610 30.4970 178.1819 123 T 3.3501 8.4507 110.2386 64.7289 68.2883 176.6069 124 V 3.4930 7.8619 121.6326 65.5655 31.4097 178.2349 125 S 4.1143 8.0221 112.6557 60.9736 62.8799 175.0759 126 H 4.5355 7.7199 117.0634 54.3747 29.1256 174.3645 127 H 3.9175 7.5717 116.5106 56.6238 26.7864 175.3405 128 I 3.9345 7.6484 119.7370 61.2985 37.6489 175.8671 129 Q 4.8424 8.9632 123.7533 55.8227 32.0494 175.2974 130 V 4.5455 8.4176 120.7615 61.5308 32.7609 174.6527 131 L 5.1156 8.8832 132.0076 53.3254 44.0161 174.6438 132 N 5.1913 9.0757 126.2337 53.1741 40.3599 173.5982 133 I 5.1453 8.6275 126.5265 59.5826 39.9152 174.7398 134 A 5.0377 9.1820 127.2416 48.5044 23.3050 175.1317 135 G 4.5365 8.0804 104.8477 45.0099 0.0000 170.4510 136 P 4.6977 0.0000 0.0000 62.0629 32.6741 177.1588 137 R 4.9668 8.7123 117.3720 55.2881 30.2868 177.5148 138 A 4.3007 8.8063 121.5919 55.4085 18.0600 180.5206 139 G 3.6564 8.4353 104.5910 46.8065 0.0000 175.3492 140 K 4.5669 7.8058 119.4884 57.0379 33.0045 176.3264 141 D 4.4806 7.6986 118.5627 52.2517 42.2154 173.7300 142 P 4.4404 0.0000 0.0000 64.4759 31.7477 177.3705 143 E 4.5013 8.5382 117.0684 56.5766 30.4207 177.8563 144 I 3.8062 7.8607 119.6161 63.8184 37.6875 177.0104 145 Y 3.9360 7.9709 119.4406 60.8960 38.8663 177.5136 146 Q 4.1135 8.2636 118.3190 58.8870 29.4751 177.2817 147 A 4.2070 8.1087 122.0746 55.2914 18.3103 180.3763 148 T 3.8782 7.7838 111.0978 64.5215 68.3431 175.9832 *150 D 4.5426 8.0572 123.1598 54.4259 43.1382 177.7460 151 L 3.8895 8.2332 120.5361 58.2899 42.0508 179.1083 152 L 3.7840 7.8439 118.9340 57.5633 41.2666 179.3262 153 E 4.2235 8.0005 118.1776 59.5595 29.2463 179.4607 154 V 3.6385 7.4736 116.7376 65.7493 31.6702 177.5601 155 F 4.6008 8.3080 119.6804 60.7499 39.4350 175.6283 156 L 4.3791 8.2633 113.7126 53.7645 43.3884 176.4121 157 A 4.3345 8.1248 127.0635 52.1800 19.0861 175.9304 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 0 G 8.31 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 *2 D 9.17 4.58 0.00 2.74 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 3 E 7.98 4.21 0.00 1.96 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 2.31 2.28 0.00 4 K 8.14 4.72 0.00 2.00 1.66 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.33 0.98 7.81 5 P 0.00 4.35 0.00 1.98 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 6 A 8.21 4.52 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 7 I 7.60 4.43 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 1.01 0.00 0.00 8 T 8.38 4.36 4.25 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 1.26 0.00 0.00 9 K 7.82 4.80 0.00 1.83 1.66 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.47 7.81 10 I 8.81 5.17 2.04 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.99 1.09 0.00 0.00 11 I 8.97 5.79 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.74 0.99 0.00 0.00 12 S 8.33 4.97 0.00 4.17 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.91 4.09 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 0.00 14 G 7.96 3.82 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 0.00 0.00 0.00 15 Q 8.12 4.12 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 16 T 8.10 4.12 4.25 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 1.25 0.00 0.00 17 G 8.44 4.12 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 0.00 18 A 9.01 3.93 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 19 D 8.08 4.30 0.00 3.03 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 20 R 7.86 3.81 0.00 2.12 2.12 0.00 2.78 0.00 0.00 2.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 21 A 8.17 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.10 3.98 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 23 L 7.74 3.87 0.00 1.68 1.56 0.68 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.52 4.42 0.00 2.82 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 25 F 8.65 3.99 0.00 3.21 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 26 A 8.25 4.04 1.56 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 27 I 7.86 3.63 1.92 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 0.78 0.87 0.00 0.00 28 K 7.96 3.86 0.00 1.74 1.80 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.09 1.35 7.81 29 H 7.61 4.49 0.00 2.76 3.12 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 7.73 4.01 0.00 3.19 3.32 0.00 5.94 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 31 I 7.75 4.36 1.95 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 1.26 0.86 0.99 0.00 0.00 32 P 0.00 4.50 0.00 2.23 1.93 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 33 Y 7.14 5.74 0.00 3.09 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 34 G 7.93 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 0.00 0.00 0.00 35 G 7.29 5.10 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 0.00 0.00 0.00 36 W 9.12 5.19 0.00 3.46 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 37 V 8.83 4.98 2.18 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 1.00 0.00 0.00 1.01 0.00 0.00 38 P 0.00 4.49 0.00 2.10 2.06 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 39 K 8.39 3.97 0.00 1.77 1.78 0.00 1.85 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.46 7.81 40 G 9.50 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 41 R 8.20 3.92 0.00 2.09 2.06 0.00 3.17 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 42 L 8.03 4.33 0.00 1.59 1.56 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.04 4.81 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 44 E 9.09 4.11 0.00 2.07 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 2.30 0.00 45 G 8.72 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.05 3.81 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 0.00 0.00 0.00 47 R 8.39 4.02 0.00 1.86 1.94 0.00 3.28 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 48 V 8.55 3.74 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 0.74 0.00 0.00 1.02 0.00 0.00 49 P 0.00 4.51 0.00 2.34 2.06 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 50 E 9.03 4.20 0.00 1.98 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 2.36 2.27 0.00 51 T 7.84 3.89 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 1.14 0.00 0.00 52 Y 7.64 4.41 0.00 3.10 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 53 Q 9.21 4.42 0.00 1.72 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 54 L 8.32 4.91 0.00 1.51 1.69 0.96 1.11 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 55 Q 8.59 4.45 0.00 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 1.56 1.98 0.00 56 E 8.41 5.01 0.00 2.04 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 2.51 2.34 0.00 *58 P 0.00 4.46 0.00 2.06 2.16 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 59 T 7.38 4.74 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 60 S 8.49 4.53 0.00 3.92 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 61 D 7.83 4.44 0.00 2.78 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 62 Y 8.57 4.53 0.00 3.08 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 63 S 8.41 4.47 0.00 4.18 4.19 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 64 K 8.49 3.96 0.00 1.83 1.81 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.65 7.81 65 R 7.90 4.00 0.00 2.38 2.31 0.00 2.93 0.00 0.00 3.54 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.13 0.00 66 T 8.13 3.94 4.64 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 1.45 0.00 0.00 67 E 8.31 3.33 0.00 1.16 1.70 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 1.86 1.47 0.00 68 K 7.79 3.62 0.00 1.64 1.62 0.00 1.07 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.55 7.81 69 N 8.08 4.54 0.00 2.86 3.18 0.00 0.00 7.01 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 70 V 7.47 3.81 2.30 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 1.02 0.00 0.00 1.21 0.00 0.00 71 L 7.67 4.03 0.00 1.56 1.45 0.33 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.12 5.04 0.00 2.85 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 73 S 7.41 4.73 0.00 4.21 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 74 D 9.04 4.54 0.00 2.66 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 75 G 7.56 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 0.00 0.00 0.00 76 T 9.03 5.41 4.36 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 1.28 0.00 0.00 77 L 9.19 4.74 0.00 1.78 1.57 0.66 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.56 4.88 1.79 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 0.60 0.83 0.00 0.00 79 I 8.56 4.98 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.19 0.80 0.00 0.00 80 S 8.80 4.52 0.00 3.85 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 81 H 8.99 4.94 0.00 3.00 3.56 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 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3.70 0.00 1.66 1.82 0.36 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.11 4.09 4.45 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 1.30 0.00 0.00 92 E 7.99 3.93 0.00 2.01 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 2.42 2.30 0.00 93 F 8.25 4.00 0.00 3.03 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 94 F 8.46 4.26 0.00 3.37 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.37 4.16 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 96 E 8.31 3.85 0.00 2.01 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 2.30 2.40 0.00 97 Q 7.69 3.74 0.00 1.31 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.00 98 Y 7.62 4.63 0.00 3.11 2.90 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 0.00 107 L 8.78 4.59 0.00 1.45 1.68 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.49 4.61 0.00 2.84 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 0.00 109 R 8.02 4.50 0.00 1.80 1.90 0.00 3.25 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 110 I 7.22 4.63 1.81 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 1.43 1.44 0.86 0.00 0.00 111 S 8.37 4.50 0.00 4.22 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 0.00 112 I 8.22 3.64 1.85 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 1.64 0.78 0.89 0.00 0.00 113 E 8.07 3.97 0.00 2.08 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 2.41 2.47 0.00 114 D 8.00 4.35 0.00 2.65 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 0.00 115 A 8.24 3.89 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 0.00 116 A 8.08 3.88 1.50 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 0.00 117 T 7.62 3.84 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 1.23 0.00 0.00 118 L 7.85 4.00 0.00 1.84 1.63 0.90 0.87 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 0.00 119 I 7.89 3.69 1.29 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 -0.03 0.00 0.00 120 N 8.37 4.58 0.00 3.08 3.11 0.00 0.00 7.24 7.80 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 0.00 121 S 8.27 4.19 0.00 4.13 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 0.00 122 W 8.43 4.26 0.00 3.37 3.37 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 0.00 123 T 8.45 3.35 4.27 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 1.31 0.00 0.00 124 V 7.86 3.49 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 1.02 0.00 0.00 125 S 8.02 4.11 0.00 3.99 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 0.00 126 H 7.72 4.54 0.00 2.77 3.14 0.00 6.00 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 0.00 127 H 7.57 3.92 0.00 3.26 3.31 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 0.00 128 I 7.65 3.93 1.51 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.25 0.77 0.00 0.00 129 Q 8.96 4.84 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 130 V 8.42 4.55 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 0.99 0.00 0.00 0.95 0.00 0.00 131 L 8.88 5.12 0.00 1.88 1.63 1.26 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 132 N 9.08 5.19 0.00 3.00 2.90 0.00 0.00 6.54 7.26 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 0.00 133 I 8.63 5.15 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.89 0.00 0.00 134 A 9.18 5.04 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 0.00 135 G 8.08 4.54 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 0.00 136 P 0.00 4.70 0.00 2.08 1.97 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 137 R 8.71 4.97 0.00 2.09 2.00 0.00 3.31 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 138 A 8.81 4.30 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 0.00 139 G 8.44 3.66 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 0.00 0.00 0.00 140 K 7.81 4.57 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.57 7.81 141 D 7.70 4.48 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.44 0.00 2.09 2.10 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 143 E 8.54 4.50 0.00 2.14 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 2.26 2.21 0.00 144 I 7.86 3.81 2.10 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 1.09 0.00 0.00 145 Y 7.97 3.94 0.00 3.04 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 0.00 146 Q 8.26 4.11 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 147 A 8.11 4.21 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 0.00 148 T 7.78 3.88 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 1.08 0.00 0.00 *150 D 8.06 4.54 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 0.00 151 L 8.23 3.89 0.00 1.74 1.76 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.84 3.78 0.00 0.71 0.13 0.65 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.00 4.22 0.00 2.22 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 2.70 2.47 0.00 154 V 7.47 3.64 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 0.83 0.00 0.00 1.02 0.00 0.00 155 F 8.31 4.60 0.00 2.85 3.20 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 0.00 156 L 8.26 4.38 0.00 1.78 1.60 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.12 4.33 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 * Residues marked with a * may have inaccurate shift predictions.