NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7312 8.2816 116.2070 58.4021 65.0800 173.8456 2 S 4.5836 7.7997 112.9917 55.9179 63.4808 172.1098 3 F 4.9192 9.0473 128.4501 58.6122 40.7299 174.0085 4 S 4.2010 8.2554 118.8640 57.4181 66.4860 173.0421 5 W 5.3378 7.3804 116.3574 56.1084 30.7115 172.7137 6 D 3.9822 8.6753 117.6892 53.4351 44.6760 174.5737 7 N 5.0736 8.8375 120.5807 53.4040 38.9384 176.3431 8 C 4.3866 8.9989 120.2925 59.2099 42.1565 174.5097 9 D 4.6412 7.5890 117.3106 52.4082 41.4587 175.0358 10 E 3.9253 8.2904 119.5957 59.3790 29.8302 179.3350 11 G 3.8343 8.0058 105.7963 46.2548 0.0000 174.0647 12 K 4.3705 8.0385 118.4769 57.7203 33.7705 176.9989 13 D 4.5799 7.8783 117.9998 53.3764 41.5766 174.7332 14 P 4.4759 0.0000 0.0000 64.8131 32.8161 175.4577 15 A 5.2294 8.0285 122.6292 50.3217 20.2363 176.7977 16 V 4.7109 9.0228 115.5323 59.9023 36.6609 174.9210 17 I 4.4142 8.8969 124.1815 60.5108 38.1431 176.2797 18 R 4.6257 8.4691 123.0593 57.4880 31.7500 176.6057 19 S 5.0555 7.4065 110.1045 57.2573 66.5244 173.2682 20 L 4.8232 8.2485 122.4177 54.2517 44.9616 174.3416 21 T 4.8304 8.9735 115.8767 59.8974 72.6041 172.7873 22 L 4.6625 7.5605 124.5981 53.6882 44.5890 174.9342 23 E 4.8575 9.0294 125.6672 53.7613 33.9618 174.0131 24 P 4.7664 0.0000 0.0000 62.2870 33.3619 174.9350 25 D 4.7450 8.3789 118.5783 51.5141 42.4381 173.2210 26 P 4.7340 0.0000 0.0000 62.4216 32.8476 176.0270 27 I 4.0652 8.6711 122.7574 61.3822 38.0638 175.3096 28 I 4.6769 8.3679 128.5334 60.8006 37.9888 175.7444 29 V 4.6164 8.7452 120.1545 58.7495 35.1040 173.9103 30 P 4.4834 0.0000 0.0000 62.0404 32.5587 176.8328 31 G 3.8739 7.4286 106.6548 46.0460 0.0000 170.7376 32 N 5.6929 8.2241 116.1807 51.3591 41.8395 174.7057 33 V 4.6500 8.6844 120.2471 60.3221 34.9632 174.3996 34 T 5.0630 9.2541 121.0146 61.9995 70.4801 173.3184 35 L 5.7192 9.3925 128.5034 52.1832 45.5586 175.2486 36 S 5.1328 8.2080 119.0323 57.1314 67.0625 173.3710 37 V 5.0612 7.7758 119.4810 62.1330 35.0859 171.8680 *39 G 4.1432 8.4246 107.4062 46.7909 0.0000 171.5677 40 S 5.3546 8.9603 113.1033 57.4252 67.1062 173.1469 41 T 5.3069 8.8439 115.0478 60.7072 70.3342 174.2290 42 S 4.6567 9.0436 122.4120 59.3295 63.7972 174.2986 43 V 4.6721 7.6451 112.7325 58.8650 35.3901 173.8132 44 P 4.6757 0.0000 0.0000 62.8537 32.4530 176.0426 45 L 4.8276 9.3500 123.7893 53.3663 43.4319 175.6851 46 S 5.0484 8.4570 117.5769 55.8622 66.8549 173.6167 47 S 4.2843 8.7178 114.5994 57.8597 62.5794 171.3690 48 P 4.5810 0.0000 0.0000 61.9125 32.4131 174.1892 49 L 4.8931 8.5960 124.8508 53.2042 44.3153 174.3627 50 K 5.0815 9.3207 128.6540 54.7203 34.6590 174.8255 51 V 4.7056 8.6762 127.0518 61.1836 34.3403 173.6535 52 D 5.1557 9.1132 128.1976 52.5478 43.3880 175.0182 53 L 5.1757 8.9962 124.0961 52.8112 45.1610 176.0007 54 V 4.4207 8.7307 122.3160 61.1847 34.4422 173.6548 55 L 5.2470 9.2092 131.2665 53.4606 44.1673 174.9613 56 E 5.4275 9.3848 125.0696 54.4724 33.9977 174.4874 57 K 4.7863 9.0814 124.0944 54.3615 35.2722 174.5507 58 E 3.5797 8.0837 129.0843 55.4315 30.0695 176.1048 59 V 3.9553 9.1864 126.8267 61.9115 34.3106 175.1737 60 A 3.7044 9.6402 132.0998 53.2660 15.7773 177.2773 61 G 3.8205 7.8518 106.3725 45.6014 0.0000 172.8337 62 L 4.6636 8.0840 120.9331 52.5514 44.4991 175.6943 63 W 4.8340 8.7811 123.4538 55.7847 30.0423 175.6653 64 I 4.4558 8.7410 127.5782 59.0680 38.5541 175.5798 65 K 4.5071 8.8468 129.1922 56.6929 33.1519 175.7430 66 I 4.4869 9.1031 128.4750 59.0138 38.9994 173.8896 67 P 4.6758 0.0000 0.0000 62.7268 32.7688 175.6903 68 C 4.9094 8.5152 121.8565 56.2939 42.0865 173.4154 69 T 4.3864 9.1731 122.5989 63.6938 72.5655 173.3358 70 D 4.3126 9.7441 127.3768 55.6709 39.2506 173.3471 71 Y 3.9971 7.7339 112.8653 58.3835 36.6892 169.9318 72 I 4.5270 7.7097 121.5192 60.3329 39.9812 174.0814 73 G 3.9430 8.6029 108.4185 44.9382 0.0000 173.6960 74 S 4.7526 7.9571 112.1614 57.7887 60.1247 173.9751 75 C 4.3316 7.7483 119.4137 56.6947 42.3416 174.1643 76 T 4.6935 7.8137 117.8451 61.8759 70.9115 173.6843 77 F 4.7413 8.8784 127.1878 55.8232 39.7295 176.9212 78 E 4.0484 9.1143 124.8597 59.0539 30.0233 177.5825 79 H 4.9380 7.8979 114.9131 52.6611 29.3945 173.2260 80 F 4.2076 9.6503 125.5286 61.5290 39.5048 175.6908 81 C 4.2853 8.2984 115.7373 59.9799 39.8477 175.3719 82 D 4.1719 8.0101 118.3322 57.0422 40.9662 177.8394 83 V 3.6978 7.5474 118.1424 65.9764 31.7452 177.7301 84 L 3.9463 7.5352 118.5337 57.6567 41.1568 180.0156 85 D 4.5964 7.7048 114.5238 55.1223 40.7098 177.5067 *87 L 4.2690 7.8866 121.1425 54.3596 43.4868 177.1423 88 I 4.4221 7.6825 117.8293 58.0251 37.9567 173.0667 89 P 4.3548 0.0000 0.0000 62.2148 31.9994 176.0059 90 T 3.9879 8.0329 109.6125 62.8663 69.3958 173.8487 91 G 4.1152 8.8023 111.7923 45.6810 0.0000 174.0514 92 E 4.0790 7.2887 117.9120 55.4051 29.8724 175.3141 93 P 4.5220 0.0000 0.0000 62.1435 32.2205 176.9207 94 C 4.5664 8.3675 117.2324 56.1747 39.5125 172.3871 95 P 4.5471 0.0000 0.0000 62.2784 31.6610 176.3350 96 E 4.4179 8.4688 120.9940 56.0748 30.1671 175.7763 97 P 4.6438 0.0000 0.0000 63.3545 31.6416 178.0093 98 L 4.1480 8.0488 121.1232 58.1966 41.3637 179.2417 99 R 3.8853 7.9645 118.2088 59.7375 29.8800 178.4896 100 T 3.7075 7.8277 114.4818 66.2254 68.3701 174.6765 101 Y 4.6135 7.4300 115.3125 57.2367 37.9104 175.6157 102 G 4.0050 7.7060 107.1882 46.5682 0.0000 173.8584 103 L 4.7509 8.0864 119.7136 52.0183 42.9927 175.4411 104 P 4.6742 0.0000 0.0000 63.1924 32.0192 174.9021 105 C 5.1725 8.5579 110.6559 55.3008 42.8830 173.2032 106 H 4.9059 7.6512 115.1103 54.5517 32.3689 173.7442 107 C 3.8391 8.2001 119.1266 55.9174 40.9702 171.6745 108 P 4.6497 0.0000 0.0000 62.5255 32.7651 175.5997 109 F 4.7988 9.0225 121.3253 55.7365 40.1248 175.8952 110 K 4.7132 8.8872 123.7747 56.1062 33.6253 176.7198 111 E 4.2484 8.9730 119.6549 56.3761 30.3862 177.7777 112 G 3.8110 7.4018 108.2456 45.5921 0.0000 170.9369 113 T 5.1421 7.6027 115.8201 61.9681 71.0785 173.8273 114 Y 4.7285 9.1296 122.3432 56.3331 41.2109 175.2057 115 S 4.8402 8.8487 119.1246 56.5545 66.6251 173.1166 116 L 4.4107 8.9072 126.7486 52.4460 44.1681 174.1303 117 P 4.5826 0.0000 0.0000 61.5629 32.4356 176.5450 118 K 3.9008 8.3894 119.8634 57.1523 32.3933 176.3726 119 S 4.7281 9.0115 118.9361 56.7250 67.5175 172.9582 120 E 4.8019 8.4732 122.1048 55.7372 30.5628 175.8718 121 F 4.8692 8.9981 121.6018 55.6268 43.6797 173.9576 122 V 4.2511 8.4773 122.2971 61.7550 32.2161 175.8473 123 V 3.7377 8.4432 128.9339 62.2601 31.8935 173.8868 124 P 4.0477 0.0000 0.0000 63.1374 31.7395 175.4769 125 D 4.6201 8.5175 121.5699 52.9430 40.6803 175.1252 126 L 4.6749 8.0311 126.4682 52.9121 43.9564 178.2355 127 E 4.3862 8.5458 123.8053 56.0698 27.4423 176.1744 128 L 4.7223 7.1933 118.1486 51.8317 45.7259 175.6089 129 P 4.4716 0.0000 0.0000 62.1976 32.2191 177.7295 130 S 4.4933 8.9434 117.8762 60.7670 62.6830 176.6881 131 W 4.4640 8.2339 119.1131 59.2003 27.7843 177.5522 132 L 3.6857 6.6951 118.7010 56.7162 41.5515 178.5578 133 T 4.3565 7.3546 110.4325 62.6561 69.3893 175.3135 134 T 4.2677 7.8891 118.3805 63.5946 69.1385 174.2054 135 G 3.9838 7.8626 111.5057 43.9141 0.0000 171.3496 136 N 5.3133 8.0358 116.8789 52.3377 40.5419 174.3426 137 Y 5.4700 9.4645 119.4678 56.7031 43.2012 174.3229 138 R 4.9372 9.2655 116.5713 54.9030 33.4193 173.8185 139 I 5.1010 9.1313 121.2864 59.3073 42.0836 173.2345 140 E 5.0822 9.0285 128.6277 54.3651 32.8014 174.2536 141 S 4.9883 9.1911 121.4458 56.4870 65.4596 172.4154 142 V 4.7466 8.9485 127.6301 60.9684 33.9880 173.7590 143 L 5.2320 9.0821 130.1480 53.3849 44.5876 175.1885 144 S 5.0677 9.0077 119.5088 57.4915 67.4790 173.0034 145 S 4.8158 8.7474 114.6480 57.0380 65.4332 173.9692 146 S 3.8577 10.0438 123.3548 59.5171 60.2207 173.5848 147 G 3.9870 8.5344 108.8864 45.1279 0.0000 174.6441 148 K 4.1812 7.9306 120.5195 55.6211 32.8255 176.1409 149 R 4.4431 8.4934 124.0506 56.1912 30.8904 175.3632 150 L 4.4961 8.9348 125.6668 56.3785 43.9848 176.5647 151 G 4.3386 7.6725 102.6849 46.1281 0.0000 172.9886 152 C 5.3906 8.0878 118.0768 55.5603 46.2000 172.3665 153 I 5.2590 8.8410 125.7360 59.1955 41.8429 173.7381 154 K 5.1408 9.1591 126.7402 54.7049 35.4429 175.2529 155 I 5.1308 9.2103 124.3217 59.4050 41.5780 174.1362 156 A 5.2689 9.1168 127.0637 50.2170 21.5841 175.1257 157 A 5.2357 9.1845 123.1859 50.7195 23.5433 174.9144 158 S 5.4400 8.8420 114.0395 56.8538 67.0527 173.2779 159 L 5.2940 9.1577 122.7276 52.9391 45.0726 175.5514 160 K 4.7196 9.1210 123.0766 54.5229 35.1012 175.5094 161 G 3.9478 9.1832 116.2779 46.9606 0.0000 173.4151 162 I 3.7384 9.1838 125.3486 61.7938 37.9047 173.6942 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 S 8.28 4.73 0.00 3.93 4.05 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 0.00 0.00 0.00 2 S 7.80 4.58 0.00 3.96 3.79 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 3 F 9.05 4.92 0.00 3.10 3.13 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 0.00 0.00 0.00 0.00 4 S 8.26 4.20 0.00 3.62 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 5 W 7.38 5.34 0.00 3.35 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 6 D 8.68 3.98 0.00 2.44 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 0.00 0.00 0.00 0.00 7 N 8.84 5.07 0.00 2.71 2.79 0.00 0.00 6.99 7.66 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 8 C 9.00 4.39 0.00 2.83 3.12 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 9 D 7.59 4.64 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.29 3.93 0.00 2.14 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 0.00 2.28 2.34 0.00 11 G 8.01 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 12 K 8.04 4.37 0.00 1.90 1.84 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.37 7.81 13 D 7.88 4.58 0.00 2.68 2.85 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 14 P 0.00 4.48 0.00 2.14 2.32 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.99 0.00 15 A 8.03 5.23 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.02 4.71 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 17 I 8.90 4.41 1.70 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.08 0.00 0.00 18 R 8.47 4.63 0.00 1.82 2.04 0.00 3.24 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 19 S 7.41 5.06 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.82 0.00 0.68 0.13 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.97 4.83 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 1.28 0.00 0.00 22 L 7.56 4.66 0.00 0.70 0.29 0.77 0.79 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 23 E 9.03 4.86 0.00 1.85 1.73 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 2.17 2.12 0.00 24 P 0.00 4.77 0.00 2.08 2.07 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 25 D 8.38 4.75 0.00 2.66 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 26 P 0.00 4.73 0.00 2.17 2.10 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 27 I 8.67 4.07 1.87 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 1.27 0.67 0.89 0.00 0.00 28 I 8.37 4.68 1.88 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 1.36 0.50 0.97 0.00 0.00 29 V 8.75 4.62 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 0.79 0.00 0.00 0.96 0.00 0.00 30 P 0.00 4.48 0.00 1.94 1.98 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 31 G 7.43 3.87 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 0.00 0.00 0.00 32 N 8.22 5.69 0.00 2.59 2.78 0.00 0.00 6.55 7.68 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 33 V 8.68 4.65 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 0.90 0.00 0.00 0.92 0.00 0.00 34 T 9.25 5.06 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 1.20 0.00 0.00 35 L 9.39 5.72 0.00 1.67 1.60 0.86 0.82 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 36 S 8.21 5.13 0.00 3.87 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 37 V 7.78 5.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.76 0.00 0.00 *39 G 8.42 4.14 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 0.00 40 S 8.96 5.35 0.00 3.98 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 41 T 8.84 5.31 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 1.39 0.00 0.00 42 S 9.04 4.66 0.00 3.95 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 43 V 7.65 4.67 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 0.73 0.00 0.00 0.97 0.00 0.00 44 P 0.00 4.68 0.00 1.98 2.04 0.00 3.68 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 2.06 2.17 0.00 45 L 9.35 4.83 0.00 1.82 1.73 0.84 0.81 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 46 S 8.46 5.05 0.00 3.83 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 47 S 8.72 4.28 0.00 3.88 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 48 P 0.00 4.58 0.00 2.26 2.24 0.00 3.74 0.00 0.00 3.73 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 49 L 8.60 4.89 0.00 2.04 1.77 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.32 5.08 0.00 1.81 1.75 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.23 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.50 7.81 51 V 8.68 4.71 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 0.77 0.00 0.00 0.25 0.00 0.00 52 D 9.11 5.16 0.00 2.57 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 53 L 9.00 5.18 0.00 1.61 1.51 1.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.73 4.42 2.05 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 63 W 8.78 4.83 0.00 3.20 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 64 I 8.74 4.46 1.88 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 1.31 1.05 0.93 0.00 0.00 65 K 8.85 4.51 0.00 1.80 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 I 9.10 4.49 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 0.96 0.00 0.00 67 P 0.00 4.68 0.00 2.07 1.96 0.00 3.60 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 2.12 2.09 0.00 68 C 8.52 4.91 0.00 3.00 2.88 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 69 T 9.17 4.39 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 70 D 9.74 4.31 0.00 2.80 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 71 Y 7.73 4.00 0.00 3.27 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.71 4.53 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.93 0.00 0.00 73 G 8.60 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 0.00 0.00 0.00 74 S 7.96 4.75 0.00 3.78 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 75 C 7.75 4.33 0.00 2.34 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 0.00 0.00 0.00 0.00 76 T 7.81 4.69 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 1.23 0.00 0.00 77 F 8.88 4.74 0.00 3.25 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 78 E 9.11 4.05 0.00 2.04 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 2.32 2.35 0.00 79 H 7.90 4.94 0.00 3.20 3.24 0.00 5.63 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.65 4.21 0.00 3.22 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 81 C 8.30 4.29 0.00 3.05 3.12 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 82 D 8.01 4.17 0.00 2.67 2.86 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 83 V 7.55 3.70 1.86 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 0.70 0.00 0.00 1.06 0.00 0.00 84 L 7.54 3.95 0.00 1.74 1.65 1.10 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.70 4.60 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 L 7.89 4.27 0.00 1.53 1.65 0.63 0.55 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 88 I 7.68 4.42 1.98 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 1.25 0.52 0.94 0.00 0.00 89 P 0.00 4.35 0.00 2.15 1.99 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 90 T 8.03 3.99 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 1.14 0.00 0.00 91 G 8.80 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 92 E 7.29 4.08 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 93 P 0.00 4.52 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 94 C 8.37 4.57 0.00 2.99 3.05 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 0.00 0.00 0.00 95 P 0.00 4.55 0.00 2.21 1.97 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 96 E 8.47 4.42 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 97 P 0.00 4.64 0.00 2.52 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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 0.00 106 H 7.65 4.91 0.00 2.95 3.04 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.20 3.84 0.00 2.76 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 0.00 108 P 0.00 4.65 0.00 2.06 2.01 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 109 F 9.02 4.80 0.00 3.04 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 0.00 110 K 8.89 4.71 0.00 1.84 1.89 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.54 7.81 111 E 8.97 4.25 0.00 2.20 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 0.00 2.32 2.36 0.00 112 G 7.40 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 0.00 113 T 7.60 5.14 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 1.26 0.00 0.00 114 Y 9.13 4.73 0.00 2.72 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 0.00 115 S 8.85 4.84 0.00 3.68 3.68 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 0.00 116 L 8.91 4.41 0.00 1.68 1.45 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.58 0.00 1.53 1.77 0.00 2.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.80 0.00 118 K 8.39 3.90 0.00 1.71 1.79 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 119 S 9.01 4.73 0.00 3.67 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.47 4.80 0.00 1.72 1.81 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 2.21 2.22 0.00 121 F 9.00 4.87 0.00 2.90 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 0.00 122 V 8.48 4.25 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 0.75 0.00 0.00 0.94 0.00 0.00 123 V 8.44 3.74 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 0.75 0.00 0.00 0.97 0.00 0.00 124 P 0.00 4.05 0.00 2.05 2.01 0.00 3.68 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 2.02 2.10 0.00 125 D 8.52 4.62 0.00 2.63 2.61 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 0.00 126 L 8.03 4.67 0.00 1.63 1.54 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.55 4.39 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 128 L 7.19 4.72 0.00 1.50 1.40 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.47 0.00 1.71 2.12 0.00 3.28 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 130 S 8.94 4.49 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 0.00 131 W 8.23 4.46 0.00 3.58 3.27 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 0.00 132 L 6.70 3.69 0.00 1.13 1.30 0.30 0.19 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 0.00 133 T 7.35 4.36 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 1.15 0.00 0.00 134 T 7.89 4.27 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 1.30 0.00 0.00 135 G 7.86 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 0.00 0.00 0.00 136 N 8.04 5.31 0.00 2.53 2.95 0.00 0.00 6.59 7.48 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 0.00 137 Y 9.46 5.47 0.00 3.02 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 0.00 138 R 9.27 4.94 0.00 1.56 1.45 0.00 2.21 0.00 0.00 2.70 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.28 0.00 139 I 9.13 5.10 1.91 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 1.11 1.09 0.94 0.00 0.00 140 E 9.03 5.08 0.00 2.00 1.69 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 2.15 2.17 0.00 141 S 9.19 4.99 0.00 3.83 3.60 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 0.00 142 V 8.95 4.75 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 0.94 0.00 0.00 0.90 0.00 0.00 143 L 9.08 5.23 0.00 1.64 1.42 0.86 0.59 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 0.00 144 S 9.01 5.07 0.00 4.02 3.89 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 0.00 145 S 8.75 4.82 0.00 3.92 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 0.00 146 S 10.04 3.86 0.00 4.05 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.53 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.93 4.18 0.00 1.90 1.74 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.52 7.81 149 R 8.49 4.44 0.00 1.74 1.83 0.00 3.25 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 150 L 8.93 4.50 0.00 1.72 1.67 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.67 4.34 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 0.00 152 C 8.09 5.39 0.00 2.96 2.88 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 0.00 153 I 8.84 5.26 1.90 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 1.35 1.99 0.88 0.00 0.00 154 K 9.16 5.14 0.00 1.67 1.59 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.34 7.81 155 I 9.21 5.13 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 1.18 0.00 0.00 156 A 9.12 5.27 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 0.00 157 A 9.18 5.24 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 0.00 158 S 8.84 5.44 0.00 3.86 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 0.00 159 L 9.16 5.29 0.00 1.87 1.57 0.65 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.12 4.72 0.00 1.80 1.65 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.40 7.81 161 G 9.18 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 0.00 162 I 9.18 3.74 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.37 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.