NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 K 4.3305 8.1733 120.1369 56.5116 34.6447 177.5291 0 L 3.7760 8.0135 118.3688 57.9488 41.5044 178.0269 1 H 4.2203 8.0017 116.0116 58.9659 29.0721 177.6756 2 S 4.2440 8.1231 115.6063 61.0326 62.8773 175.9892 3 Q 4.0702 8.0321 120.7113 58.4072 28.7887 177.9337 4 A 3.9635 7.9674 123.0022 55.2852 18.3394 179.3784 5 N 4.3808 8.3209 114.9649 56.0403 38.6071 177.6009 6 L 3.7057 7.6873 121.7734 58.5131 42.1623 178.9167 7 M 3.9669 8.0606 118.5875 58.2414 31.6941 178.7517 8 R 3.8063 7.7670 118.6208 59.1991 30.2806 177.9171 9 L 3.2289 7.9264 120.1295 58.0753 41.8810 179.2722 10 K 2.8670 7.3261 117.8145 59.1009 31.8496 179.0193 11 S 4.0910 7.5370 113.2169 61.8867 61.9949 176.1548 12 D 4.4063 7.8568 120.0097 56.8703 40.6309 178.2144 13 L 4.1402 7.5502 118.8790 56.7850 41.8755 178.4766 14 F 4.9833 7.8229 116.4243 58.0056 40.6950 176.0620 15 N 4.8070 7.6214 115.2535 51.4628 38.0868 173.3151 *20 Y 4.4022 7.4483 118.9219 56.8383 39.6710 172.7766 21 P 4.4569 0.0000 0.0000 62.6646 31.3042 177.0344 22 G 2.9153 5.6816 106.2556 43.9780 0.0000 171.8166 23 P 4.3038 0.0000 0.0000 62.4143 31.8568 175.2831 24 T 4.7582 7.6475 108.9078 59.3972 71.7653 174.1603 25 K 4.3733 8.5681 119.9516 59.5894 32.1088 178.6366 26 D 4.5264 8.0036 117.4579 56.4272 41.7828 176.0812 27 D 4.7268 7.7585 117.9187 51.8293 40.9891 172.0268 28 P 5.0976 0.0000 0.0000 62.2881 33.4224 176.6640 29 L 4.8019 8.8694 121.4182 53.6530 45.6686 174.8228 30 T 5.0246 8.6299 121.9075 61.9698 70.5631 173.8334 31 V 4.7466 8.9215 126.8938 61.5168 34.1944 174.3287 32 T 5.0611 9.0625 125.2860 62.5981 70.1321 173.7696 33 L 5.1517 9.2199 126.1425 52.9594 45.2967 175.8414 34 G 4.2160 8.4065 108.6564 44.7572 0.0000 171.3412 35 F 5.2464 9.5353 122.6145 55.7557 42.2050 175.0270 36 T 4.8704 8.5869 119.0448 61.6097 70.9797 173.0367 37 L 4.4468 8.3435 129.7865 54.8928 42.2227 176.3602 38 Q 4.4845 9.1674 126.3160 58.2357 30.4993 175.6599 39 D 4.2573 7.7274 114.3655 53.3215 44.7509 174.9446 40 I 4.5668 8.6423 127.0132 60.5445 36.8803 175.8658 41 V 3.9704 8.6460 128.7637 65.3340 32.1899 176.4421 42 K 4.9156 7.9501 119.7576 54.8827 35.9243 174.5168 43 A 4.7508 8.8194 127.6940 50.2594 21.6067 174.8921 44 D 4.8186 9.1921 124.3309 52.9493 42.4244 176.6933 45 S 4.6607 8.7594 120.2542 58.6081 63.6556 175.0870 46 S 4.4442 8.4570 116.6062 59.7800 63.4039 174.8813 47 T 4.3703 7.7827 107.5922 60.2119 70.4736 173.0840 48 N 4.2764 7.9438 119.1146 53.5207 36.6159 173.0705 49 E 5.0299 7.4320 116.4026 54.4038 34.4562 176.7589 50 V 4.7220 7.9629 122.5630 61.0874 35.3527 173.6536 51 D 5.6439 8.8625 126.4227 52.6598 43.2494 175.2595 52 L 5.3970 9.1676 123.2470 52.9548 45.3864 175.4255 53 V 4.8934 8.7058 122.7717 61.4837 33.8685 174.0674 54 Y 5.2617 8.0471 123.8743 56.3266 41.8380 172.7242 55 Y 5.2359 8.2407 118.0673 55.2168 41.6810 174.4294 56 E 4.6812 8.8339 122.0534 54.2739 32.1144 174.4794 57 Q 4.3134 8.8969 130.3648 55.9601 30.4505 174.5799 58 Q 5.3017 9.3883 125.6851 54.2677 32.3346 174.7403 59 R 5.4492 9.2721 122.1675 53.1829 34.4599 174.4809 60 W 5.5667 7.9089 118.5966 55.5229 32.2092 172.9278 61 K 4.9760 8.6678 120.1399 54.8018 35.0137 175.0420 62 L 4.7050 8.7645 126.5528 52.8709 44.8122 177.7446 63 N 4.3881 8.8785 120.8524 56.0767 38.8452 177.3572 64 S 4.2682 7.9674 111.5097 60.3965 63.3330 174.5158 65 L 4.7172 7.7293 119.3293 54.7629 42.0913 176.1700 66 M 4.6166 7.8707 119.5501 55.2677 32.9908 175.1814 67 W 5.2298 8.3420 120.5129 55.6046 32.2365 173.4685 68 D 4.7185 8.9715 120.0531 52.1809 41.0788 174.8924 69 P 4.8421 0.0000 0.0000 65.1012 31.5493 178.3457 70 N 4.3438 8.4344 115.6617 56.0589 38.9336 175.1693 71 E 4.4588 8.1865 115.7020 56.6582 29.5552 175.8776 72 Y 4.7022 7.2423 117.5892 57.3850 39.0408 175.0305 73 G 3.5772 8.7252 102.2192 47.1892 0.0000 173.2189 74 N 4.2523 8.4598 113.0214 54.0878 38.2626 173.6761 75 I 4.2400 7.6055 116.4323 60.9360 38.0682 176.6594 76 T 4.8322 8.5908 114.2817 61.9847 71.0746 173.0121 77 D 5.4440 8.2579 120.1175 53.2855 42.4385 174.0316 78 F 5.0579 8.6124 112.2659 55.8780 41.4037 173.6359 79 R 4.8556 8.7331 119.3469 56.3126 31.2905 175.8430 80 T 4.8091 9.1640 116.6990 60.3083 71.7359 172.6806 81 S 4.4807 9.0059 121.2983 59.1381 62.6659 174.9497 82 A 3.9027 9.0151 128.8841 54.4120 17.6645 178.4922 83 A 4.0555 7.8474 118.0531 54.4029 18.8490 178.7153 84 D 4.2098 7.7636 114.1696 55.1089 40.9863 175.7647 85 I 4.8332 6.8870 111.5742 58.3437 40.9335 174.5425 86 W 4.3408 8.9578 131.1582 57.3594 31.1770 175.2863 87 T 3.8346 6.9546 114.3418 58.3855 71.2857 171.8011 88 P 3.5686 0.0000 0.0000 62.4789 32.5538 175.9902 89 D 4.7555 8.2629 120.1554 53.1681 38.6347 176.4552 90 I 4.4300 7.5388 118.9751 62.6723 38.3071 177.4674 91 T 4.9794 9.3895 122.9229 61.6986 73.1169 173.1666 92 A 4.0641 8.7092 126.6946 51.9924 18.7445 177.1259 93 Y 4.4950 8.6636 123.6350 59.0007 39.9645 176.3753 94 S 4.7876 7.8025 113.9903 57.4749 63.7598 174.0246 95 S 4.8249 8.2106 114.8563 59.9056 63.3193 173.7398 96 T 4.5293 8.5089 110.9270 61.5785 69.4321 174.0841 97 R 4.6418 7.4466 119.2050 54.2985 34.1154 172.8881 98 P 4.2917 0.0000 0.0000 62.4337 31.9027 176.7477 99 V 3.9306 8.3160 122.2600 63.6347 32.3798 174.8584 100 Q 4.6337 8.7799 125.9112 54.1500 30.9978 174.7574 101 V 4.3169 8.4107 124.5917 62.4299 32.1106 175.4574 102 L 4.7530 9.1011 127.3752 54.6471 42.5104 176.1983 103 S 4.7850 7.7157 112.4381 55.3505 66.4074 172.1875 104 P 4.3523 0.0000 0.0000 63.7533 32.0089 177.1654 105 Q 4.9269 8.4367 121.0061 54.5931 27.5397 173.5311 106 I 5.0993 8.0642 119.8021 59.2621 41.2535 174.7827 107 A 5.0513 9.3296 127.6199 50.1192 22.9257 174.8719 108 V 4.6384 8.4511 118.7582 61.1232 34.2879 174.3922 109 V 4.4572 8.0735 128.0007 61.5677 33.3770 174.8639 110 T 5.0154 8.5308 124.7872 61.7908 70.9286 175.6325 111 H 2.0000 8.0731 119.1432 57.4395 28.3533 176.6913 112 D 4.2438 7.1248 117.3912 53.3149 39.3496 177.0955 113 G 4.2200 8.3656 108.8781 46.4600 0.0000 173.6649 114 S 4.6600 7.5459 115.3966 57.9203 64.8770 173.4860 115 V 4.5399 8.4457 121.6707 61.1201 34.6720 173.7703 116 M 5.0500 8.5486 126.3004 53.7297 35.7062 174.0297 117 F 5.2389 9.1491 127.0502 56.9924 43.1646 173.5560 118 I 4.7572 8.1422 126.2680 57.6120 37.0837 172.4432 119 P 4.2350 0.0000 0.0000 62.1886 33.3036 176.1530 120 A 5.0744 8.5398 124.8760 51.2517 20.9254 176.1940 121 Q 4.8208 8.6095 119.3953 54.1825 33.9848 173.8072 122 R 4.9956 8.8435 122.7965 54.6793 32.4711 174.6450 123 L 5.2033 8.9945 127.5967 53.5144 45.5587 174.9388 124 S 5.3796 8.8328 122.3585 57.3990 64.9056 173.1729 125 F 5.4609 8.7719 118.5452 55.1389 42.0640 173.5201 126 M 4.5564 8.7444 119.8963 55.6148 32.5657 175.7707 127 C 4.5082 8.5690 120.9391 55.9764 47.8825 172.4307 128 D 4.7898 8.8690 127.5421 52.7253 40.5652 173.5273 129 P 4.5504 0.0000 0.0000 63.1641 31.3714 176.0478 130 T 3.9258 7.6728 116.5772 65.9819 68.5442 174.4379 131 G 3.9461 8.9756 114.4165 45.0860 0.0000 175.2519 132 V 3.4822 7.7824 120.7526 63.7304 31.4878 176.7997 133 D 5.1234 7.9211 119.3877 53.1890 39.7823 175.6549 134 S 4.7947 7.3829 113.2061 56.8227 66.0471 173.5362 135 E 4.0627 8.6381 120.8787 59.0863 29.5243 177.7125 136 E 3.9543 8.1101 117.4695 56.9564 29.9509 177.5675 137 G 3.6205 7.6764 106.2776 44.4243 0.0000 171.9174 138 A 4.6567 8.1346 119.6701 50.3375 21.9960 176.2721 139 T 5.1360 8.1735 114.9032 62.1719 71.9176 174.2492 140 C 5.3004 9.5138 121.6115 55.6892 45.4673 172.7477 141 A 5.4489 8.6426 121.0030 50.6320 22.1971 176.0845 142 V 4.4383 8.5484 119.8796 59.9955 35.0935 173.9943 143 K 5.0538 8.5644 123.3667 55.2737 35.4833 174.9349 144 F 5.3972 8.6413 120.3817 56.0569 42.7088 174.4713 145 G 4.5217 9.0310 108.4809 45.4944 0.0000 172.3477 146 S 4.9946 8.9452 115.5737 58.1834 62.3708 173.9812 147 W 4.1722 9.1203 135.0000 60.0025 30.6001 177.1046 148 V 4.3043 8.1810 108.0566 61.0290 32.5571 174.9382 149 Y 4.8018 8.0323 118.7443 55.9969 39.2160 176.0823 150 S 2.9012 8.9618 120.5176 56.6035 64.1893 175.2840 151 G 3.6625 8.2634 109.5263 49.0275 0.0000 175.1123 152 F 4.2238 7.9450 117.7600 59.5963 39.4807 175.8927 153 E 4.5530 8.6885 119.6074 57.3730 31.5751 176.1920 154 I 4.9754 7.6269 119.5064 59.4469 40.5433 174.0258 155 D 5.0109 9.1222 126.8044 52.6231 43.6210 174.8041 156 L 5.5354 8.4674 123.4840 52.9777 44.5960 175.6992 157 K 4.8921 8.9974 120.6566 55.6220 36.5409 174.9695 158 T 5.1067 8.3122 110.1396 59.4045 70.9703 173.8863 159 D 4.5630 8.7527 121.9403 56.5219 41.5698 176.6669 160 T 4.6734 7.4235 110.9637 60.6165 70.5233 172.5307 161 D 5.4985 8.5366 123.7177 53.1708 40.9536 175.1754 162 Q 4.7680 8.0716 119.8934 54.5665 29.7712 175.8883 163 V 3.7803 8.2029 125.3594 62.7031 32.7177 175.0910 164 D 4.4774 9.0314 127.9765 54.3067 42.0474 176.2031 165 L 4.7888 8.5318 125.0118 54.5080 42.3538 178.4007 166 S 4.3391 8.7658 115.1643 60.4215 63.0962 175.1879 167 S 4.7848 7.8711 115.9880 58.2084 63.2544 173.0944 168 Y 4.3486 7.8621 122.3342 57.1543 39.2786 174.8076 169 Y 4.1792 8.1649 128.6526 57.7093 38.9219 176.7667 170 A 4.1046 8.5227 130.6540 54.3086 18.7405 177.6794 171 S 4.4445 5.8100 111.0384 57.8318 63.5621 174.4143 172 S 4.4110 6.9277 113.9870 58.1073 62.7751 174.5840 173 K 3.9472 8.6019 123.4599 58.4642 32.0699 176.3368 174 Y 5.4526 7.8274 116.4601 55.9895 40.7833 175.1427 175 E 4.6893 9.3495 122.7170 55.2819 32.1238 175.2211 176 I 4.4361 7.9343 123.2291 61.0824 37.4858 175.6649 177 L 4.4037 9.1145 128.6534 57.2612 42.2754 177.3086 178 S 4.7317 7.8307 110.5703 57.4744 66.7267 173.4888 179 A 5.0868 8.3362 122.6272 51.3073 22.0112 175.2880 180 T 5.1831 9.0435 112.9532 59.9482 73.0001 173.1335 181 Q 4.9839 9.2010 120.8391 54.9284 31.5732 174.2245 182 T 4.9016 8.8610 120.6294 61.1739 72.3333 173.5422 183 R 4.5522 8.8145 127.2989 56.7417 30.9926 175.3506 184 Q 4.7772 9.7685 124.2796 54.1849 33.8436 173.9953 185 V 4.9886 8.2238 119.3121 61.5182 34.3486 174.5534 186 Q 4.5589 8.9294 124.8636 54.9550 33.5812 173.4473 187 H 5.1171 8.4165 118.1385 54.9150 30.8197 174.3344 188 Y 4.6520 8.2659 117.1873 55.9195 41.5847 176.8662 189 S 4.1899 8.9948 119.0287 61.9260 63.1170 175.0885 190 C 4.4325 8.2194 113.4271 58.0608 41.4895 174.6450 191 C 5.1491 7.8925 115.8778 54.4698 43.8358 172.5395 192 P 4.2123 0.0000 0.0000 65.1127 31.4859 176.6562 193 E 4.4807 8.1230 118.9134 55.1264 30.3478 174.5650 194 P 4.8243 0.0000 0.0000 63.1218 33.1984 174.5147 195 Y 4.9275 9.5099 118.5861 56.4198 41.1425 174.9187 196 I 4.9875 8.4023 123.1745 60.4449 38.9080 174.7572 197 D 5.1635 9.0044 124.1214 51.8633 43.7316 174.2860 198 V 4.6584 8.8533 120.2913 61.4316 33.5954 173.9718 199 N 4.9616 9.5257 128.8122 52.5695 40.4410 173.4229 200 L 4.7545 8.8463 129.9045 53.8530 43.6610 175.0992 201 V 4.7979 8.6087 127.7484 61.1566 33.7505 174.3587 202 V 4.9018 8.9547 128.3861 61.0336 34.3646 174.0669 203 K 5.3572 9.1570 127.7225 54.7352 34.6078 175.2892 204 F 5.5696 8.9777 118.9596 55.9158 41.8973 173.1263 205 R 4.9937 8.9799 115.2976 54.5811 33.3455 173.9821 206 E 4.5204 9.1037 120.2350 56.6512 29.9485 177.4310 207 R 4.3214 8.5604 124.9586 56.5426 31.0736 176.6830 208 R 4.1928 8.2248 123.1759 56.6880 31.2464 174.8898 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 -1 K 8.17 4.33 0.00 1.84 1.92 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 0 L 8.01 3.78 0.00 1.72 1.65 0.89 0.76 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 1 H 8.00 4.22 0.00 3.20 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.12 4.24 0.00 4.07 4.15 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 3 Q 8.03 4.07 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 4 A 7.97 3.96 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 5 N 8.32 4.38 0.00 2.79 3.07 0.00 0.00 6.68 6.02 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 6 L 7.69 3.71 0.00 1.73 1.71 0.61 1.20 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 7 M 8.06 3.97 0.00 2.06 2.12 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 2.73 2.50 0.00 8 R 7.77 3.81 0.00 2.13 2.21 0.00 3.06 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 9 L 7.93 3.23 0.00 1.15 1.18 -0.81 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.33 2.87 0.00 1.59 1.67 0.00 1.35 0.00 0.00 1.37 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.79 7.81 11 S 7.54 4.09 0.00 3.84 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 0.00 12 D 7.86 4.41 0.00 2.75 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 13 L 7.55 4.14 0.00 0.83 1.46 0.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.82 4.98 0.00 3.09 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 15 N 7.62 4.81 0.00 2.79 2.79 0.00 0.00 6.91 8.81 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 *20 Y 7.45 4.40 0.00 2.99 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 21 P 0.00 4.46 0.00 2.07 2.02 0.00 3.42 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 22 G 5.68 2.92 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 23 P 0.00 4.30 0.00 2.01 1.72 0.00 2.91 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.31 0.00 24 T 7.65 4.76 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 1.15 0.00 0.00 25 K 8.57 4.37 0.00 1.77 1.95 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.55 1.46 7.81 26 D 8.00 4.53 0.00 2.65 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 27 D 7.76 4.73 0.00 2.73 2.46 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 28 P 0.00 5.10 0.00 2.10 2.28 0.00 3.76 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 1.98 1.98 0.00 29 L 8.87 4.80 0.00 1.58 1.36 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.63 5.02 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 1.25 0.00 0.00 31 V 8.92 4.75 2.19 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 1.19 0.00 0.00 1.04 0.00 0.00 32 T 9.06 5.06 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 1.34 0.00 0.00 33 L 9.22 5.15 0.00 1.48 1.25 1.02 0.77 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 34 G 8.41 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 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0.00 0.91 0.00 0.00 0.73 0.00 0.00 110 T 8.53 5.02 4.15 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 1.02 0.00 0.00 111 H 8.07 2.00 0.00 2.12 2.23 0.00 5.45 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.12 4.24 0.00 2.60 2.45 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 0.00 113 G 8.37 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 0.00 0.00 0.00 114 S 7.55 4.66 0.00 3.69 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 0.00 115 V 8.45 4.54 0.67 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 0.43 0.00 0.00 0.64 0.00 0.00 116 M 8.55 5.05 0.00 1.99 1.70 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 117 F 9.15 5.24 0.00 3.08 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 0.00 118 I 8.14 4.76 1.69 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 0.98 1.63 0.80 0.00 0.00 119 P 0.00 4.23 0.00 1.90 1.55 0.00 3.63 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.48 0.00 120 A 8.54 5.07 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 0.00 121 Q 8.61 4.82 0.00 1.12 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 122 R 8.84 5.00 0.00 1.82 1.76 0.00 3.03 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 123 L 8.99 5.20 0.00 2.08 1.87 1.06 0.87 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 0.00 124 S 8.83 5.38 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.77 5.46 0.00 3.23 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 0.00 126 M 8.74 4.56 0.00 1.95 2.12 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 2.78 2.48 0.00 127 C 8.57 4.51 0.00 2.27 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 0.00 0.00 0.00 0.00 128 D 8.87 4.79 0.00 2.64 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 0.00 129 P 0.00 4.55 0.00 2.26 2.30 0.00 3.89 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 130 T 7.67 3.93 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 1.19 0.00 0.00 131 G 8.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.78 3.48 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 1.05 0.00 0.00 0.95 0.00 0.00 133 D 7.92 5.12 0.00 2.81 2.96 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 0.00 134 S 7.38 4.79 0.00 3.87 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 0.00 135 E 8.64 4.06 0.00 1.94 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 2.28 2.33 0.00 136 E 8.11 3.95 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 137 G 7.68 3.62 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 0.00 138 A 8.13 4.66 0.61 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 0.00 139 T 8.17 5.14 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 1.30 0.00 0.00 140 C 9.51 5.30 0.00 3.15 3.26 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 0.00 141 A 8.64 5.45 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 0.00 142 V 8.55 4.44 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 -0.02 0.00 0.00 0.29 0.00 0.00 143 K 8.56 5.05 0.00 1.95 2.07 0.00 1.35 0.00 0.00 1.72 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.41 7.81 144 F 8.64 5.40 0.00 3.16 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 0.00 145 G 9.03 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.95 4.99 0.00 4.14 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 0.00 147 W 9.12 4.17 0.00 3.41 3.23 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 0.00 148 V 8.18 4.30 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 0.91 0.00 0.00 0.60 0.00 0.00 149 Y 8.03 4.80 0.00 3.10 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 8.96 2.90 0.00 3.73 3.54 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 0.00 151 G 8.26 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 0.00 152 F 7.95 4.22 0.00 2.98 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 0.00 153 E 8.69 4.55 0.00 2.21 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 2.43 2.40 0.00 154 I 7.63 4.98 1.96 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 1.15 0.90 0.99 0.00 0.00 155 D 9.12 5.01 0.00 2.74 2.50 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 0.00 156 L 8.47 5.54 0.00 1.60 1.60 1.05 0.96 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 0.00 157 K 9.00 4.89 0.00 1.80 1.86 0.00 1.28 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.40 7.81 158 T 8.31 5.11 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 159 D 8.75 4.56 0.00 2.69 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 0.00 160 T 7.42 4.67 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 0.00 161 D 8.54 5.50 0.00 2.77 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 0.00 162 Q 8.07 4.77 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 163 V 8.20 3.78 2.19 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 0.77 0.00 0.00 0.98 0.00 0.00 164 D 9.03 4.48 0.00 2.80 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 0.00 165 L 8.53 4.79 0.00 1.73 1.64 0.85 0.67 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 0.00 166 S 8.77 4.34 0.00 4.00 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 0.00 167 S 7.87 4.78 0.00 3.88 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 0.00 168 Y 7.86 4.35 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 8.16 4.18 0.00 2.81 2.48 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 0.00 170 A 8.52 4.10 1.23 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 0.00 0.00 0.00 171 S 5.81 4.44 0.00 3.27 3.64 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 0.00 172 S 6.93 4.41 0.00 3.93 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 0.00 173 K 8.60 3.95 0.00 1.26 1.15 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.47 1.31 7.81 174 Y 7.83 5.45 0.00 3.08 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 0.00 175 E 9.35 4.69 0.00 2.07 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 2.33 0.00 176 I 7.93 4.44 1.53 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 -0.09 0.83 0.00 0.00 177 L 9.11 4.40 0.00 1.61 1.71 0.90 0.72 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 0.00 178 S 7.83 4.73 0.00 3.84 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 0.00 179 A 8.34 5.09 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 0.00 180 T 9.04 5.18 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 1.21 0.00 0.00 181 Q 9.20 4.98 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 182 T 8.86 4.90 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 0.00 183 R 8.81 4.55 0.00 1.86 1.86 0.00 3.30 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 184 Q 9.77 4.78 0.00 2.31 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 185 V 8.22 4.99 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 0.77 0.00 0.00 0.91 0.00 0.00 186 Q 8.93 4.56 0.00 1.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 187 H 8.42 5.12 0.00 2.91 3.16 0.00 5.84 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 0.00 188 Y 8.27 4.65 0.00 2.85 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 0.00 189 S 8.99 4.19 0.00 3.89 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 0.00 190 C 8.22 4.43 0.00 3.06 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 0.00 191 C 7.89 5.15 0.00 3.16 3.40 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 0.00 192 P 0.00 4.21 0.00 2.21 2.20 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 193 E 8.12 4.48 0.00 2.09 2.21 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 2.24 2.31 0.00 194 P 0.00 4.82 0.00 2.07 1.93 0.00 3.82 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 195 Y 9.51 4.93 0.00 3.12 2.92 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 0.00 196 I 8.40 4.99 1.93 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 1.39 0.94 1.02 0.00 0.00 197 D 9.00 5.16 0.00 2.95 2.78 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 0.00 198 V 8.85 4.66 2.35 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 1.13 0.00 0.00 1.04 0.00 0.00 199 N 9.53 4.96 0.00 3.02 2.76 0.00 0.00 6.34 6.66 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 0.00 200 L 8.85 4.75 0.00 1.30 1.52 0.73 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 201 V 8.61 4.80 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 202 V 8.95 4.90 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 0.92 0.00 0.00 0.85 0.00 0.00 203 K 9.16 5.36 0.00 1.73 1.68 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 204 F 8.98 5.57 0.00 3.27 3.02 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 0.00 205 R 8.98 4.99 0.00 2.06 1.98 0.00 2.93 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 206 E 9.10 4.52 0.00 1.89 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 2.44 2.59 0.00 207 R 8.56 4.32 0.00 1.82 1.77 0.00 3.21 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 208 R 8.22 4.19 0.00 1.78 1.73 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.