NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3142 8.3144 122.1426 54.2648 32.5123 172.8642 7 V 4.2743 7.7875 123.7546 59.5346 34.8317 171.6605 8 L 5.0593 9.5061 131.7852 53.6561 43.8060 174.6716 9 L 4.8265 8.9743 127.2990 53.1999 44.0948 175.4448 10 K 4.9586 9.1431 125.5777 55.1882 33.7640 175.0238 11 V 5.0540 9.2162 128.6938 61.0650 34.2161 174.4107 12 I 5.0298 8.4839 120.0282 59.1629 41.1969 174.4476 13 I 4.9396 8.1530 123.0808 59.8773 39.5278 175.2020 14 L 4.4086 10.7935 127.5073 52.5449 44.7634 175.9612 15 G 4.1788 6.9563 107.0747 42.9863 0.0000 172.6668 16 D 4.7126 8.0340 120.1855 53.6884 41.8881 176.5273 17 S 4.1559 8.3249 117.0341 60.0837 62.1180 175.9348 18 G 4.0764 8.8728 112.2729 45.5892 0.0000 175.6890 19 V 3.7668 7.1028 111.0290 62.8397 31.9421 176.7942 20 G 4.2175 7.5512 107.0786 45.8821 0.0000 176.4841 21 K 3.9933 8.4057 120.5449 59.5120 32.2320 178.8726 22 T 4.0147 7.8427 115.5210 66.6967 68.4001 176.8197 23 S 4.1347 8.0396 116.5833 61.5358 62.8873 176.4419 24 L 4.0666 7.9762 121.6772 58.0688 41.3389 179.1224 25 M 3.9719 8.0283 117.6924 58.9946 32.2217 177.8954 26 N 4.2173 8.3637 116.5413 56.3461 38.6634 177.3270 27 Q 4.0730 8.4795 121.3325 59.2478 29.0051 177.5123 28 Y 3.9904 7.8003 119.3401 60.6595 38.8619 177.9326 29 V 3.2502 7.4738 117.5766 65.6621 32.2919 177.0888 30 N 4.5486 8.1784 113.9167 52.1751 38.5080 175.7447 31 K 4.7003 7.7581 117.3307 55.7702 30.0307 174.4455 32 K 4.6654 7.5052 116.4833 54.4195 35.0455 175.2384 33 F 4.6204 8.5697 124.9774 56.4222 41.5768 174.7081 34 S 4.4915 7.6255 123.0357 57.7790 64.8989 173.2194 35 N 4.4655 7.6814 114.4160 52.6725 40.0304 175.5657 36 Q 3.8850 8.7650 119.1943 56.9126 27.8850 176.7404 *37 Y 4.9954 8.3897 126.2148 58.6654 40.9854 176.6377 *41 I 3.9952 7.8356 115.3017 60.8960 37.0301 178.1833 42 G 4.1911 8.2736 105.7132 46.0792 0.0000 173.6759 43 A 4.0429 8.0769 123.2195 51.7179 18.3172 175.7944 44 D 5.0737 7.9007 122.1797 54.1600 43.7637 174.8868 45 F 5.1532 7.2273 113.2665 55.7113 41.2294 173.5517 46 L 4.7810 8.5874 119.8956 53.0667 45.4008 175.5578 47 T 5.2232 8.3345 111.5555 60.0098 71.6957 173.2862 48 K 4.5377 8.9639 124.3756 55.0046 36.1853 174.6333 49 E 4.8888 8.7946 127.3046 55.9411 30.3551 176.3757 50 V 4.5711 8.9160 124.1333 60.1450 35.2501 174.3607 51 M 4.8424 8.6870 122.7532 54.4683 33.4400 176.0464 52 V 4.0970 8.7852 123.3254 61.5728 33.1540 175.0626 53 D 4.3010 9.6769 130.2048 55.5437 38.1017 174.0743 54 D 4.9219 8.2107 117.3279 54.3439 40.2319 175.8441 55 R 4.2781 7.6597 118.5012 55.3756 31.0048 174.2449 56 L 5.0941 8.2668 123.3786 53.4058 44.2435 175.7545 57 V 4.7607 8.7876 118.1971 60.0502 36.8297 174.2441 58 T 4.9750 8.6571 118.6698 62.3054 70.8701 173.4876 59 M 4.7369 9.2539 126.9546 54.0516 34.2230 174.9219 60 Q 4.8689 9.2860 125.9498 54.6059 31.3605 174.0142 61 I 4.9426 8.8551 129.2655 59.9498 38.6799 174.9891 62 W 5.0524 9.6665 128.2708 55.2347 30.6479 175.5839 63 D 5.1713 9.4180 125.8747 53.8858 41.6527 176.6373 64 T 3.5200 8.8137 112.3790 61.9631 69.3169 174.4174 65 A 3.8719 9.7978 124.9694 53.2965 16.7904 178.4470 66 G 3.9606 8.2520 106.2129 47.3641 0.0000 176.3701 67 Q 4.1556 7.9307 119.3972 58.2432 29.0112 178.1927 68 E 4.3018 8.0332 115.3465 58.0471 30.3123 178.7269 69 R 4.1209 7.6227 118.4610 58.0171 30.1275 177.3833 70 F 4.8363 7.7469 114.6824 58.2736 40.3915 175.0382 71 Q 3.6106 8.2469 115.4098 57.9051 26.6559 174.7243 72 S 4.8856 8.2429 107.2409 57.9712 64.3433 175.5319 73 L 4.1777 8.2707 120.3748 54.2098 42.5803 178.0610 74 G 4.0996 8.5543 113.0994 44.4848 0.0000 174.5753 75 V 3.9140 8.4244 118.2908 64.7427 30.0371 178.0979 76 A 3.9917 8.1885 120.9175 54.9700 17.8794 179.1823 77 F 4.0644 7.8094 117.2412 61.1673 39.7972 176.3645 78 Y 4.2643 8.3037 116.1402 58.6414 37.9414 175.8955 79 R 3.8197 6.7489 115.2929 57.6845 30.3213 176.3198 80 G 3.8090 8.9083 109.9955 46.0233 0.0000 173.1351 81 A 4.1678 7.7625 122.2720 52.3828 19.0555 178.2063 82 D 4.9250 9.3863 122.0169 55.2387 43.1272 175.9838 83 C 4.6285 7.8218 116.8737 58.2476 35.3559 171.9018 84 C 5.0154 8.3734 125.7992 57.5867 33.8288 172.6397 85 V 4.5729 8.5339 127.6236 62.0476 32.6655 174.4950 86 L 5.0646 9.5051 129.7375 53.4848 43.2054 175.7699 87 V 5.0625 8.7766 124.7938 61.0494 34.0836 174.4099 88 F 5.1303 8.8150 120.9099 55.3862 42.4345 172.8172 89 D 5.0275 9.3338 119.5833 52.5417 42.1771 177.3532 90 V 4.0951 8.5085 120.2424 63.4190 31.6733 177.7085 91 T 4.3802 8.5459 109.3836 61.3378 69.6822 174.6767 92 A 4.5825 8.4970 125.9433 48.9742 19.9176 174.2807 93 P 4.2586 0.0000 0.0000 66.9221 31.4419 178.2144 94 N 4.4376 8.2116 114.7000 56.3526 38.2911 177.3095 95 T 4.5072 7.8823 111.7019 63.8044 68.9602 175.8092 96 F 3.9729 7.9853 123.1649 60.3622 39.3647 177.3862 97 K 3.7740 7.7678 117.5574 58.8715 32.1611 178.6871 98 T 4.0468 7.6580 108.6113 62.8046 68.9130 176.3812 99 L 3.9095 7.0901 123.1752 58.2632 41.5416 178.9907 100 D 4.5672 7.7222 117.8129 57.6275 40.7833 178.8260 101 S 4.0293 7.9243 115.0053 61.4790 62.8409 176.7762 102 W 4.1848 8.0911 121.5374 59.7231 28.8182 178.6297 103 R 3.9769 8.4621 118.9209 59.4073 29.4870 178.4065 104 D 4.3545 8.7465 119.1306 57.3758 40.8809 178.1859 105 E 3.8642 8.4137 119.9989 59.2537 29.5367 178.6927 106 F 3.9209 8.5847 120.5861 61.2548 39.5813 177.1125 107 L 3.8912 8.0309 118.2071 57.7558 41.1887 179.6903 108 I 3.5707 7.4640 118.5408 64.4167 37.1701 178.3361 109 Q 3.8237 7.9163 117.3429 58.8783 28.5813 178.3149 110 A 3.8688 7.6276 120.3977 51.9553 19.8532 177.5944 111 S 3.4792 7.2302 109.0293 58.8905 61.8801 169.5334 112 P 4.4873 0.0000 0.0000 62.4027 32.7567 176.6633 113 R 4.0918 8.3470 115.5049 56.5621 30.8812 175.9502 114 D 4.3686 8.6614 120.7306 54.0216 39.3616 172.5392 115 P 4.3588 0.0000 0.0000 66.3706 31.5208 178.6472 116 E 4.1368 8.2914 116.5877 58.3408 29.5194 177.1321 117 N 4.9368 8.1301 114.2246 52.5083 39.2139 174.5113 118 F 3.9789 7.8235 121.0509 57.8345 39.9005 173.6495 119 P 4.2853 0.0000 0.0000 62.5777 30.8422 174.5455 120 F 5.1878 8.4791 122.6498 55.5993 41.4599 175.4884 121 V 4.5348 8.7353 121.8265 61.2339 34.8551 174.0853 122 V 5.0506 8.7517 127.7348 61.5202 33.7135 174.2206 123 L 4.9567 9.4462 128.2392 53.0434 44.4720 176.1023 124 G 3.2896 8.6520 113.1512 44.8775 0.0000 172.6387 125 N 4.9064 8.4887 127.0937 52.0893 41.5525 174.2571 126 K 4.4738 8.7422 116.0722 56.7255 29.3112 177.9303 127 I 3.9434 7.5535 112.8092 62.7994 37.7114 176.7395 128 D 4.4221 7.9783 120.9155 55.3812 39.5389 176.0399 129 L 4.3818 7.5021 120.3684 54.0300 42.5379 176.8523 130 E 4.1249 8.6597 121.8987 59.2127 30.4037 177.6820 131 N 4.7282 7.8298 116.9241 52.2513 37.4062 175.3476 132 R 4.2830 7.5152 117.1730 56.8594 31.2162 177.4283 133 Q 4.4793 9.1351 117.1466 55.0397 31.1259 175.4256 134 V 4.0883 7.6125 117.3719 60.0673 34.0378 175.3508 135 A 4.2230 8.2217 129.0508 52.0209 20.3622 177.9899 136 T 4.0646 8.5319 119.4823 66.8889 68.5126 177.3160 137 K 3.9930 7.9564 119.9266 59.1566 32.1511 179.2368 138 R 3.8363 7.8621 118.4034 59.3141 29.9962 178.3410 139 A 4.1977 7.6598 120.2072 55.3456 18.3376 179.5735 140 Q 3.7471 7.9846 116.4068 58.9038 28.7794 178.9579 141 A 4.0219 8.2442 121.9181 54.9069 18.3917 179.3436 142 W 4.0336 8.3973 126.7713 61.0627 30.7365 177.9105 143 C 3.9605 8.6604 116.8065 62.8596 27.5136 175.6878 144 Y 3.8439 8.1664 121.5568 60.6178 38.2377 177.9776 145 S 4.0496 7.8853 113.8883 60.6032 63.7087 175.1973 146 K 3.9942 7.0297 122.2278 55.6191 31.0883 176.0457 147 N 3.9235 7.9829 108.7040 54.5996 36.2449 174.2897 148 N 3.9292 7.5467 110.9836 54.6528 37.6584 174.3158 149 I 4.1595 7.8627 119.1052 60.4496 38.5733 176.1440 150 P 4.4740 0.0000 0.0000 63.0839 32.4737 174.3743 151 Y 5.4523 8.4257 123.5289 56.0558 41.4618 174.5852 152 F 4.5191 8.1473 122.6450 55.7785 43.9537 173.2905 153 E 4.7314 8.6372 122.5845 55.1489 30.8559 175.2626 154 T 4.7924 8.3571 114.5540 60.0731 73.0250 173.5250 155 S 4.2490 8.6407 116.0968 57.2261 63.8403 174.3050 156 A 4.0208 8.5444 130.6662 54.7277 18.6513 178.9673 157 K 2.0000 7.7911 116.2065 58.6116 32.1922 177.4575 158 E 4.2703 7.6468 114.7433 55.1859 29.7592 175.8830 159 A 3.7322 7.6285 119.3165 53.5151 16.3126 178.1445 160 I 4.2509 7.7463 121.5846 60.9699 39.4825 176.5974 161 N 4.2613 8.8388 121.0734 53.9278 37.9383 175.7631 162 V 3.6205 7.6637 117.0286 66.2589 31.5375 177.6390 163 E 4.1834 8.2085 116.6702 59.5818 29.6476 178.9646 164 Q 4.0659 8.0266 116.9147 59.1071 28.7925 178.2031 165 A 2.5800 7.4261 122.1720 54.3926 18.3062 179.5362 166 F 3.6223 7.9040 115.3737 59.5991 38.7354 177.9900 167 Q 3.9974 7.6061 118.6208 59.0093 28.4417 178.4016 168 T 4.0838 7.5881 110.0937 64.3102 69.2091 176.8529 169 I 3.5125 7.5019 122.6408 64.0798 36.9925 178.2148 170 A 3.9915 8.2260 121.9362 55.0965 18.4005 179.6363 171 R 3.8445 7.9328 117.2850 59.6728 30.1071 178.4980 172 N 4.3455 8.5548 116.4280 55.9020 38.5164 177.3564 173 A 4.4860 7.8722 123.7340 54.4033 18.3878 179.5103 174 L 3.8569 8.0379 118.9956 58.1970 42.0956 179.0235 175 K 3.9347 7.8833 119.2952 59.4349 32.1205 178.6153 176 Q 3.8361 7.9738 119.8382 59.0745 29.0718 177.5153 177 E 3.9487 8.2880 120.4958 59.6157 29.4121 178.9475 178 T 3.8677 8.0466 114.7469 66.7752 68.7648 176.1517 179 E 4.2154 7.7074 116.8650 57.4978 29.6597 178.7942 180 V 3.8582 7.2744 118.4278 65.3197 32.0155 175.0617 181 E 4.1015 8.1390 122.7523 56.4584 29.4491 176.3236 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 6 K 8.31 4.31 0.00 1.79 1.72 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 7 V 7.79 4.27 2.10 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 0.90 0.00 0.00 0.94 0.00 0.00 8 L 9.51 5.06 0.00 1.72 1.59 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.97 4.83 0.00 1.67 1.60 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.14 4.96 0.00 1.91 1.88 0.00 1.28 0.00 0.00 1.61 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 11 V 9.22 5.05 2.25 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 1.02 0.00 0.00 1.02 0.00 0.00 12 I 8.48 5.03 1.68 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 0.80 0.58 0.00 0.00 13 I 8.15 4.94 1.99 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.95 0.00 0.00 14 L 10.79 4.41 0.00 1.57 1.32 1.54 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 G 6.96 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 16 D 8.03 4.71 0.00 2.85 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 17 S 8.32 4.16 0.00 3.83 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 18 G 8.87 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.10 3.77 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 0.81 0.00 0.00 1.06 0.00 0.00 20 G 7.55 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 21 K 8.41 3.99 0.00 1.80 1.89 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.49 7.81 22 T 7.84 4.01 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 1.19 0.00 0.00 23 S 8.04 4.13 0.00 3.99 4.17 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 24 L 7.98 4.07 0.00 1.99 1.93 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.03 3.97 0.00 2.29 2.16 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 2.62 2.57 0.00 26 N 8.36 4.22 0.00 2.97 2.82 0.00 0.00 6.78 7.55 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 27 Q 8.48 4.07 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 28 Y 7.80 3.99 0.00 2.29 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.47 3.25 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 0.70 0.00 0.00 0.81 0.00 0.00 30 N 8.18 4.55 0.00 2.87 2.75 0.00 0.00 7.19 7.20 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 31 K 7.76 4.70 0.00 1.82 1.83 0.00 1.84 0.00 0.00 2.24 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.22 7.81 32 K 7.51 4.67 0.00 1.74 1.60 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.33 7.81 33 F 8.57 4.62 0.00 2.96 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 34 S 7.63 4.49 0.00 3.86 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 35 N 7.68 4.47 0.00 2.65 2.76 0.00 0.00 6.93 7.08 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 36 Q 8.77 3.88 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.55 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 *37 Y 8.39 5.00 0.00 2.33 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 0.00 0.00 0.00 *41 I 7.84 4.00 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.11 0.91 0.00 0.00 42 G 8.27 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 0.00 0.00 0.00 43 A 8.08 4.04 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 44 D 7.90 5.07 0.00 2.73 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 0.00 0.00 0.00 0.00 45 F 7.23 5.15 0.00 2.32 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 0.00 0.00 0.00 46 L 8.59 4.78 0.00 1.52 1.42 0.82 0.44 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 47 T 8.33 5.22 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 48 K 8.96 4.54 0.00 1.60 1.54 0.00 1.04 0.00 0.00 0.71 0.00 0.00 2.60 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.26 7.81 49 E 8.79 4.89 0.00 1.87 1.87 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 2.29 2.23 0.00 50 V 8.92 4.57 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 0.99 0.00 0.00 1.02 0.00 0.00 51 M 8.69 4.84 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 52 V 8.79 4.10 2.10 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 1.02 0.00 0.00 0.96 0.00 0.00 53 D 9.68 4.30 0.00 2.83 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 54 D 8.21 4.92 0.00 2.83 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.66 4.28 0.00 1.87 1.90 0.00 3.03 0.00 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0.00 0.93 0.00 0.00 122 V 8.75 5.05 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 1.50 0.00 0.00 1.36 0.00 0.00 123 L 9.45 4.96 0.00 1.51 1.45 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.65 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 0.00 0.00 0.00 125 N 8.49 4.91 0.00 2.75 2.81 0.00 0.00 7.07 5.63 0.00 0.00 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 K 8.74 4.47 0.00 2.11 1.87 0.00 2.46 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.37 7.81 127 I 7.55 3.94 1.86 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 1.45 0.49 1.03 0.00 0.00 128 D 7.98 4.42 0.00 2.78 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 0.00 129 L 7.50 4.38 0.00 1.90 1.63 0.92 0.98 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 0.00 130 E 8.66 4.12 0.00 1.96 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 2.31 2.27 0.00 131 N 7.83 4.73 0.00 2.72 2.80 0.00 0.00 6.92 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 0.00 132 R 7.52 4.28 0.00 1.81 1.88 0.00 3.17 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 133 Q 9.14 4.48 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 134 V 7.61 4.09 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 0.01 0.00 0.00 0.76 0.00 0.00 135 A 8.22 4.22 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 0.00 136 T 8.53 4.06 4.30 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 1.38 0.00 0.00 137 K 7.96 3.99 0.00 1.74 1.84 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.43 7.81 138 R 7.86 3.84 0.00 1.77 1.86 0.00 3.06 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 139 A 7.66 4.20 1.04 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 0.00 0.00 140 Q 7.98 3.75 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 141 A 8.24 4.02 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 0.00 142 W 8.40 4.03 0.00 3.59 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 C 8.66 3.96 0.00 3.27 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 0.00 144 Y 8.17 3.84 0.00 3.18 3.09 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 0.00 145 S 7.89 4.05 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 0.00 146 K 7.03 3.99 0.00 1.00 1.38 0.00 1.50 0.00 0.00 1.34 0.00 0.00 2.62 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.30 0.21 7.81 147 N 7.98 3.92 0.00 2.79 2.90 0.00 0.00 7.14 8.00 0.00 0.00 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 N 7.55 3.93 0.00 2.52 2.72 0.00 0.00 7.06 7.29 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 0.00 149 I 7.86 4.16 1.92 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 1.39 0.79 1.19 0.00 0.00 150 P 0.00 4.47 0.00 2.27 2.24 0.00 3.91 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 2.20 2.19 0.00 151 Y 8.43 5.45 0.00 3.00 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 0.00 152 F 8.15 4.52 0.00 2.87 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 0.00 153 E 8.64 4.73 0.00 1.78 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 0.00 2.06 2.20 0.00 154 T 8.36 4.79 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 1.22 0.00 0.00 155 S 8.64 4.25 0.00 3.84 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.54 4.02 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 0.00 157 K 7.79 2.00 0.00 0.85 1.40 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.96 0.35 7.81 158 E 7.65 4.27 0.00 1.89 1.85 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 2.10 2.28 0.00 159 A 7.63 3.73 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 0.00 160 I 7.75 4.25 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.90 0.00 0.00 161 N 8.84 4.26 0.00 2.97 2.91 0.00 0.00 7.33 7.71 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 0.00 162 V 7.66 3.62 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 1.16 0.00 0.00 1.01 0.00 0.00 163 E 8.21 4.18 0.00 2.02 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 2.41 2.36 0.00 164 Q 8.03 4.07 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 165 A 7.43 2.58 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 7.90 3.62 0.00 2.15 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 0.00 0.00 0.00 167 Q 7.61 4.00 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 168 T 7.59 4.08 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 1.44 0.00 0.00 169 I 7.50 3.51 1.56 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.33 0.64 0.00 0.00 170 A 8.23 3.99 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 0.00 171 R 7.93 3.84 0.00 2.05 2.04 0.00 3.10 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 172 N 8.55 4.35 0.00 2.68 2.70 0.00 0.00 6.88 7.72 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 0.00 173 A 7.87 4.49 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 0.00 174 L 8.04 3.86 0.00 1.85 1.83 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.88 3.93 0.00 1.97 1.90 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.54 7.81 176 Q 7.97 3.84 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 177 E 8.29 3.95 0.00 2.12 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 0.00 2.32 2.41 0.00 178 T 8.05 3.87 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 0.00 179 E 7.71 4.22 0.00 2.01 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 2.34 2.31 0.00 180 V 7.27 3.86 2.31 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 0.82 0.00 0.00 0.97 0.00 0.00 181 E 8.14 4.10 0.00 2.25 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 2.33 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.