NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.1021 8.2644 123.5836 51.9475 19.4856 178.1242 10 R 3.8143 8.1774 120.3348 59.0187 30.4579 178.4992 11 F 4.7117 8.4514 114.1538 59.3566 39.5207 176.1048 12 R 4.2652 7.0749 118.5245 56.5786 30.4531 177.4765 13 K 4.1038 9.2654 118.5841 58.8007 32.2762 178.1365 14 V 3.9132 7.6239 118.0890 61.2292 32.3931 176.0869 15 D 4.6706 8.4333 124.0096 52.4620 39.8791 176.6699 16 V 4.0439 8.2382 118.6848 63.5233 32.3086 178.9653 17 G 3.6432 8.2719 108.7111 48.2410 0.0000 174.8907 18 E 3.8931 7.8895 119.4434 57.9755 29.5512 176.6176 19 Y 4.6822 7.4329 114.2696 57.9408 38.7393 174.8524 20 D 4.3568 7.9396 121.1303 54.2289 41.1810 176.1440 21 E 4.3165 8.9794 128.7202 55.9582 28.5480 175.0890 22 N 4.9252 7.3503 135.0000 53.7680 41.3765 174.1134 23 K 4.8205 7.4209 122.6456 55.6310 34.0011 174.1539 24 F 4.8471 8.6407 118.3483 56.4141 42.4063 174.3867 25 V 4.0724 7.2148 126.4145 60.6226 33.8374 174.8901 26 D 4.1909 8.1509 126.5154 53.9866 41.3859 176.0322 27 E 4.1800 8.4717 121.8531 55.8884 29.2266 176.0168 28 E 4.7092 8.1535 122.7046 54.8296 32.6975 174.4222 29 D 4.5024 7.9763 118.4803 53.8315 44.0428 174.3369 30 G 3.9196 8.3128 108.9421 43.4981 0.0000 172.5033 *36 G 3.7260 8.3975 112.4443 44.6538 0.0000 170.0350 37 P 4.4337 0.0000 0.0000 61.6110 32.2796 176.4707 38 D 4.5251 8.3558 118.6995 53.4187 41.5732 176.0404 39 E 3.9470 8.8038 128.3595 59.5496 29.8259 178.7232 40 G 3.6830 8.1851 105.1079 47.7345 0.0000 175.0385 41 E 3.9161 8.0873 121.0489 59.1042 29.7140 179.0140 42 V 3.5715 7.6983 118.2679 66.1536 31.5768 177.6387 43 D 4.3317 8.1399 118.5604 57.2934 40.5130 178.4934 44 S 4.0455 8.0569 113.5516 61.8374 62.3162 176.1115 45 C 4.1251 7.9586 118.8813 62.7352 27.7890 176.1796 46 L 3.9328 8.0153 120.4261 58.0582 41.0713 179.8469 47 R 3.9097 8.2250 116.7134 58.9476 30.0328 178.1627 48 Q 4.3721 7.7143 115.1593 55.2657 29.0497 176.7377 49 G 3.8608 8.0205 108.5304 46.3701 0.0000 175.4085 50 N 4.6483 7.9604 119.5301 51.9090 36.7761 175.5613 51 M 3.9284 7.8625 124.3393 58.5343 32.5033 177.8155 52 T 4.1256 8.0796 115.1114 66.8504 68.7866 176.1899 53 A 4.0123 8.0956 121.7472 55.2033 18.4346 179.3599 54 A 3.9757 7.9654 119.1866 55.0481 18.3161 179.6153 55 L 3.8843 8.2307 118.9928 58.6194 42.0491 179.3969 56 Q 4.0601 7.9672 116.2032 58.6516 28.9690 178.2429 57 A 4.1608 7.9908 121.4702 54.8375 18.3629 179.4784 58 A 3.9822 8.0190 118.2844 54.4666 18.4538 178.7729 59 L 4.3638 7.3084 115.3502 53.9835 42.2568 176.7015 60 K 4.1651 7.2454 120.4585 56.7460 33.6002 176.3438 61 N 4.1223 8.6396 119.9844 53.6615 35.8316 172.9783 62 P 4.4707 0.0000 0.0000 62.3580 33.0061 176.5219 63 P 4.6138 0.0000 0.0000 62.4755 29.1500 176.3913 64 I 3.9539 7.4510 117.4429 62.2686 38.8192 175.5261 65 N 4.9213 7.8765 114.7750 53.4645 40.2967 174.8877 66 T 4.1815 7.6725 108.1868 61.3831 69.7774 174.5676 67 K 4.1980 8.4974 122.5324 58.7659 33.1207 178.7510 68 S 4.3165 7.7873 114.4009 58.3100 64.7582 175.0675 69 Q 4.1226 8.6991 123.4963 57.7097 28.6670 178.4836 70 A 3.9767 7.8798 122.6498 55.1382 18.6882 179.8589 71 V 3.6264 7.6289 117.3713 64.8104 31.5090 178.8273 72 K 4.0151 7.6951 118.4773 59.3930 31.8295 179.1523 73 D 4.4872 8.6278 119.0869 56.7082 40.5839 178.9917 74 R 3.8992 7.7528 119.1840 59.4020 30.1576 178.2111 75 A 4.0931 7.9969 120.4849 55.1008 18.3543 179.8035 76 G 3.6207 8.2811 104.2895 47.9756 0.0000 176.1612 77 S 4.0689 7.7008 117.4215 61.3923 62.9605 176.7190 78 I 3.5992 7.5852 122.4054 64.4063 36.8576 178.6810 79 V 3.2522 7.5956 118.9919 65.8060 31.2446 177.7899 80 L 3.7485 8.1743 120.4303 57.8260 41.7348 178.6519 81 K 3.8312 8.5134 120.1046 59.5394 31.8350 178.9593 82 V 3.6095 7.2918 116.7643 66.0748 31.4427 177.6933 83 L 3.9107 7.6271 118.7252 57.8162 41.0506 179.6664 84 I 3.9172 7.6130 119.0808 64.2865 37.1897 178.1180 85 S 4.3458 7.8319 113.9150 59.3162 63.0079 174.7644 86 F 4.2005 7.4846 120.5381 56.9703 39.6786 174.9296 87 K 4.3976 8.3996 122.6210 55.0687 33.2709 177.3075 88 A 3.9507 8.9773 127.2701 55.7186 18.1581 179.3242 89 N 4.4684 8.1211 109.6848 55.2584 39.1277 175.5476 90 D 4.8744 8.1674 117.9227 54.3468 41.7348 178.4317 91 I 2.9714 7.4899 122.6041 63.9302 36.9648 177.5355 92 E 3.7462 7.9164 119.6756 59.2326 29.1354 178.4886 93 K 3.8292 7.9810 117.0967 59.5106 32.5034 177.8889 94 A 4.2153 7.5233 119.8099 55.3856 18.2332 179.5752 95 V 3.6101 7.7034 116.5935 66.4475 31.3497 177.8011 96 Q 4.2389 7.9940 115.4156 57.3902 28.7512 177.5667 97 S 4.4272 7.9706 114.6234 58.6460 63.8134 174.2946 98 L 4.4104 6.9279 122.7520 54.0160 42.7348 176.4654 99 D 4.7759 8.1925 121.0325 52.0318 42.3787 177.4465 100 K 3.8560 8.5559 118.7402 60.0913 31.9569 179.1023 101 N 4.4403 8.2646 115.9830 56.1556 38.4650 177.5485 102 G 3.6192 9.0237 107.4737 47.8155 0.0000 175.8140 103 V 3.6719 7.9355 121.1007 65.8444 31.3529 177.8202 104 D 4.3727 8.3177 118.6203 57.3110 40.6536 178.5898 105 L 3.9862 8.0879 120.8567 57.8143 42.0363 178.5697 106 L 3.9930 8.4140 120.8093 58.6198 42.0742 178.5358 107 M 4.1025 8.2020 117.9281 58.7738 32.1815 178.3602 108 K 4.0114 7.8150 118.3573 59.7553 32.1888 179.0094 109 Y 4.1778 7.9033 117.0126 60.8768 37.7478 178.5045 110 I 3.3902 8.1675 121.2491 64.6818 37.0214 178.1576 111 Y 4.1603 7.7505 115.8646 60.6087 37.9044 178.3754 112 K 4.2455 8.0513 120.6788 59.6127 32.3155 179.0231 113 G 3.6095 8.3156 106.3476 47.8631 0.0000 175.3168 114 F 4.5789 7.6384 118.5509 59.7706 38.9879 176.4785 115 E 4.5328 8.1097 116.5159 56.3897 31.0583 176.6473 116 S 4.7072 7.9555 114.5709 56.2117 63.4631 171.9352 117 P 4.4881 0.0000 0.0000 62.2505 32.7211 176.7575 118 S 4.3675 9.1671 110.9150 59.1163 65.9221 175.2923 119 D 4.2774 9.8688 121.6532 56.2939 37.5827 172.7015 120 N 4.2742 8.3388 113.7346 53.6702 37.3802 176.3530 121 S 4.1815 7.8449 115.5607 61.9396 62.8500 176.7511 122 S 4.3804 8.1595 117.6247 60.6907 62.4556 176.2303 123 A 4.0763 7.7568 123.6357 55.1421 18.4681 179.6135 124 V 3.8976 7.8139 116.9919 64.6151 31.8612 178.4177 125 L 4.1517 7.9729 119.1880 57.6506 41.5160 179.4037 126 L 4.3098 8.3273 118.8380 57.5858 41.5646 179.4927 127 Q 4.0482 8.2001 118.5139 58.5118 28.6813 178.4741 128 W 3.8836 8.0521 119.6047 59.8418 29.1020 177.7764 129 H 4.0975 8.7502 118.6498 59.1864 29.4277 176.6964 130 E 3.9740 8.1364 120.5843 59.4985 29.5661 179.1042 131 K 3.9476 7.9588 117.9249 59.3436 32.0886 179.2837 132 A 4.0565 8.5464 121.5411 55.0683 18.1919 179.4723 133 L 3.9421 8.3451 119.0788 58.2095 41.9449 179.0494 134 A 3.9550 7.7851 119.3063 54.7383 18.3018 179.2252 135 A 4.2426 7.6914 118.2029 54.7915 19.0821 179.3331 136 G 3.8962 8.4116 101.0477 43.2280 0.0000 174.6655 137 G 4.0324 8.3244 112.4247 44.4300 0.0000 175.1440 138 V 3.8490 8.1830 117.8018 64.4121 31.0068 178.5141 139 G 3.6640 8.1382 106.7109 47.7397 0.0000 175.6355 140 S 4.4237 7.7900 116.8367 60.6377 63.1983 176.3926 141 I 3.9488 7.5863 123.2180 64.0633 37.1744 177.9951 142 V 3.5928 7.8094 119.1064 66.0416 31.0910 177.5666 143 R 4.2177 7.7457 114.9050 57.2112 30.1513 178.0891 144 V 3.7985 7.7031 118.9294 65.2422 31.7587 177.5642 145 L 4.0806 7.6726 117.8001 57.5167 41.6999 177.8896 146 T 4.2759 7.3665 105.3024 61.1541 69.1192 174.4304 147 A 4.1455 7.6889 125.9266 52.5237 18.9269 178.0753 148 R 4.1780 8.5980 121.7562 57.0245 31.0065 176.6521 149 K 4.4627 7.8991 116.9128 54.8037 33.2464 175.9126 150 T 4.0908 8.2142 117.7240 62.1259 67.6141 173.2656 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 9 A 8.26 4.10 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 10 R 8.18 3.81 0.00 1.97 1.96 0.00 3.23 0.00 0.00 3.39 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 11 F 8.45 4.71 0.00 3.13 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 12 R 7.07 4.27 0.00 1.53 1.86 0.00 2.76 0.00 0.00 3.02 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.50 0.00 13 K 9.27 4.10 0.00 1.79 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 V 7.62 3.91 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 0.82 0.00 0.00 1.08 0.00 0.00 15 D 8.43 4.67 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.24 4.04 2.20 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 0.82 0.00 0.00 1.00 0.00 0.00 17 G 8.27 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 0.00 0.00 0.00 18 E 7.89 3.89 0.00 1.71 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 19 Y 7.43 4.68 0.00 3.01 2.90 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 20 D 7.94 4.36 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 21 E 8.98 4.32 0.00 1.99 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 2.28 2.28 0.00 22 N 7.35 4.93 0.00 3.13 2.94 0.00 0.00 6.90 7.61 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 23 K 7.42 4.82 0.00 1.89 1.60 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 24 F 8.64 4.85 0.00 2.94 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 25 V 7.21 4.07 1.84 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 0.75 0.00 0.00 0.82 0.00 0.00 26 D 8.15 4.19 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.47 4.18 0.00 1.92 1.89 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 2.28 2.34 0.00 28 E 8.15 4.71 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 29 D 7.98 4.50 0.00 2.55 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.31 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 *36 G 8.40 3.73 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 0.00 0.00 0.00 37 P 0.00 4.43 0.00 2.02 2.14 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 38 D 8.36 4.53 0.00 2.70 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 39 E 8.80 3.95 0.00 2.02 1.92 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 2.36 2.31 0.00 40 G 8.19 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 0.00 0.00 0.00 41 E 8.09 3.92 0.00 2.05 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 2.30 2.31 0.00 42 V 7.70 3.57 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 0.94 0.00 0.00 0.96 0.00 0.00 43 D 8.14 4.33 0.00 2.92 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 44 S 8.06 4.05 0.00 3.89 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 45 C 7.96 4.13 0.00 3.15 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 46 L 8.02 3.93 0.00 1.92 1.69 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.22 3.91 0.00 1.85 1.99 0.00 3.14 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 48 Q 7.71 4.37 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.95 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 49 G 8.02 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 0.00 0.00 0.00 50 N 7.96 4.65 0.00 2.86 2.78 0.00 0.00 7.01 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.86 3.93 0.00 0.85 1.57 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.43 0.00 52 T 8.08 4.13 4.33 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 1.30 0.00 0.00 53 A 8.10 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.97 3.98 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 55 L 8.23 3.88 0.00 1.98 2.03 0.70 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.97 4.06 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 57 A 7.99 4.16 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 58 A 8.02 3.98 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 59 L 7.31 4.36 0.00 1.61 1.75 0.94 1.36 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 60 K 7.25 4.17 0.00 1.76 1.80 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.41 7.81 61 N 8.64 4.12 0.00 2.84 2.89 0.00 0.00 6.99 8.02 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 62 P 0.00 4.47 0.00 2.20 2.21 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 63 P 0.00 4.61 0.00 2.09 2.08 0.00 3.75 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 2.07 2.18 0.00 64 I 7.45 3.95 1.86 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 1.41 0.70 0.90 0.00 0.00 65 N 7.88 4.92 0.00 2.71 2.80 0.00 0.00 6.98 7.54 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 66 T 7.67 4.18 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 1.22 0.00 0.00 67 K 8.50 4.20 0.00 1.76 1.89 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.35 7.81 68 S 7.79 4.32 0.00 4.05 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 69 Q 8.70 4.12 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 70 A 7.88 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 3.63 2.09 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 0.86 0.00 0.00 0.94 0.00 0.00 72 K 7.70 4.02 0.00 2.12 1.92 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.16 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.60 1.65 7.81 73 D 8.63 4.49 0.00 2.95 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 74 R 7.75 3.90 0.00 1.98 2.15 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 75 A 8.00 4.09 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.28 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 77 S 7.70 4.07 0.00 4.03 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 78 I 7.59 3.60 1.89 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 1.36 1.03 0.83 0.00 0.00 79 V 7.60 3.25 1.52 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 0.40 0.00 0.00 -0.14 0.00 0.00 80 L 8.17 3.75 0.00 1.74 1.74 0.80 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.51 3.83 0.00 1.93 1.94 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 82 V 7.29 3.61 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 1.02 0.00 0.00 0.92 0.00 0.00 83 L 7.63 3.91 0.00 1.39 0.88 0.24 -0.99 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 84 I 7.61 3.92 1.98 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 1.53 0.38 0.95 0.00 0.00 85 S 7.83 4.35 0.00 3.95 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 86 F 7.48 4.20 0.00 3.64 3.18 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 87 K 8.40 4.40 0.00 1.87 1.72 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.65 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 88 A 8.98 3.95 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 89 N 8.12 4.47 0.00 2.72 2.87 0.00 0.00 6.81 8.06 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 90 D 8.17 4.87 0.00 3.01 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 91 I 7.49 2.97 1.37 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.81 -0.57 0.00 0.00 92 E 7.92 3.75 0.00 1.92 1.89 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 2.34 2.32 0.00 93 K 7.98 3.83 0.00 1.79 1.87 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 94 A 7.52 4.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.61 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 1.04 0.00 0.00 0.95 0.00 0.00 96 Q 7.99 4.24 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 97 S 7.97 4.43 0.00 4.06 4.02 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 98 L 6.93 4.41 0.00 1.75 1.66 0.99 1.32 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 99 D 8.19 4.78 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.56 3.86 0.00 1.79 1.94 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.51 7.81 101 N 8.26 4.44 0.00 2.86 2.88 0.00 0.00 6.98 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 0.00 102 G 9.02 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 0.00 103 V 7.94 3.67 2.26 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 1.06 0.00 0.00 1.00 0.00 0.00 104 D 8.32 4.37 0.00 2.89 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 0.00 105 L 8.09 3.99 0.00 1.86 1.88 0.74 0.50 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 0.00 106 L 8.41 3.99 0.00 1.87 1.92 0.65 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.20 4.10 0.00 2.38 2.22 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 2.98 2.81 0.00 108 K 7.82 4.01 0.00 1.78 1.62 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.61 7.81 109 Y 7.90 4.18 0.00 3.14 2.81 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 0.00 110 I 8.17 3.39 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.36 0.00 0.00 111 Y 7.75 4.16 0.00 3.16 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 0.00 112 K 8.05 4.25 0.00 2.07 1.95 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.65 7.81 113 G 8.32 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 0.00 114 F 7.64 4.58 0.00 3.32 3.01 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 0.00 115 E 8.11 4.53 0.00 2.12 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 2.72 0.00 116 S 7.96 4.71 0.00 3.80 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 0.00 117 P 0.00 4.49 0.00 2.08 2.03 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.26 0.00 118 S 9.17 4.37 0.00 3.97 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 0.00 119 D 9.87 4.28 0.00 2.79 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 0.00 120 N 8.34 4.27 0.00 2.93 2.92 0.00 0.00 6.73 7.77 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 0.00 121 S 7.84 4.18 0.00 4.10 4.43 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 0.00 122 S 8.16 4.38 0.00 3.98 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.76 4.08 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 0.00 124 V 7.81 3.90 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 1.05 0.00 0.00 1.13 0.00 0.00 125 L 7.97 4.15 0.00 1.97 1.41 0.62 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.33 4.31 0.00 1.96 1.80 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.20 4.05 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 128 W 8.05 3.88 0.00 3.49 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 0.00 129 H 8.75 4.10 0.00 3.34 3.56 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.14 3.97 0.00 2.24 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 2.30 2.38 0.00 131 K 7.96 3.95 0.00 1.75 1.71 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.39 7.81 132 A 8.55 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.35 3.94 0.00 1.78 1.91 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.79 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.69 4.24 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 0.00 136 G 8.41 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.32 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 0.00 0.00 0.00 138 V 8.18 3.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 139 G 8.14 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 S 7.79 4.42 0.00 4.12 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 0.00 141 I 7.59 3.95 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.75 0.90 0.00 0.00 142 V 7.81 3.59 2.26 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 1.01 0.00 0.00 0.92 0.00 0.00 143 R 7.75 4.22 0.00 1.83 1.93 0.00 3.20 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 144 V 7.70 3.80 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 0.56 0.00 0.00 0.99 0.00 0.00 145 L 7.67 4.08 0.00 1.77 1.64 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 T 7.37 4.28 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 1.17 0.00 0.00 147 A 7.69 4.15 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 0.00 148 R 8.60 4.18 0.00 1.84 2.03 0.00 3.35 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 1.61 1.65 0.00 149 K 7.90 4.46 0.00 1.68 1.95 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.44 7.81 150 T 8.21 4.09 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 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.