NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5802 8.2227 120.5225 53.6343 42.9246 176.7978 8 L 3.4756 7.8431 122.5486 57.5561 42.1919 176.4276 9 Q 3.9668 8.6984 117.9471 59.0448 29.6847 177.7741 10 K 3.6399 7.2124 113.5405 57.9576 32.6041 177.6019 *12 V 3.8014 7.7857 117.4024 62.7462 32.4889 177.2666 *14 G 3.8595 8.1199 108.2583 44.7854 0.0000 174.1676 15 N 4.6344 8.1463 115.8793 53.9717 39.2014 174.3288 16 T 5.0747 7.6434 115.6007 62.2372 69.9929 174.3565 17 K 4.8257 8.9984 125.3749 53.6427 36.4289 173.8590 18 P 5.2993 0.0000 0.0000 62.2489 32.9743 175.0124 19 V 4.6049 8.8595 123.0065 61.0794 34.0631 173.8772 20 E 4.9395 8.6214 125.9983 54.5197 33.0895 174.4146 21 L 4.5024 8.8572 125.1536 53.0735 43.7091 175.1975 22 N 5.5829 9.0335 124.1768 52.1532 41.7473 174.6332 23 L 5.0337 9.2077 126.6438 54.5934 45.6594 175.5061 24 D 4.3824 10.6100 123.9882 53.5308 37.5181 172.3600 25 G 3.9721 8.4331 108.2112 46.7749 0.0000 174.3041 26 K 4.5897 7.9430 121.7507 52.5495 34.4822 180.7209 27 T 5.0870 8.2856 119.0416 62.5123 68.3932 174.9534 28 V 4.1643 8.5839 120.9727 63.1038 32.7770 176.4073 29 A 4.7840 7.5672 119.9667 50.7677 22.4748 175.1598 30 I 5.0484 7.9321 112.1817 59.8782 41.8179 174.3691 31 C 5.3067 8.3193 116.0429 59.3075 33.3405 171.9629 32 C 5.4335 8.7495 115.1112 58.2807 32.0335 173.2281 33 A 4.8101 8.6918 121.3298 50.7223 22.0616 175.2519 34 T 4.6470 8.9100 120.4624 61.5875 70.0798 174.6851 35 G 3.3998 9.0656 115.5467 46.3700 0.0000 172.9263 36 V 4.4477 7.9726 116.2710 61.1638 34.3617 175.6176 37 F 4.7921 7.5303 112.4264 56.6783 40.6737 177.8109 38 G 4.0371 7.8157 111.9179 47.1292 0.0000 174.5975 39 T 4.8055 8.4355 111.9277 60.9021 69.5024 171.5613 40 A 4.6996 8.0234 124.4637 51.5460 21.1483 176.5872 41 Y 4.9244 8.2559 119.1734 55.9291 42.1761 174.7968 42 L 4.7527 8.9003 123.8881 54.6949 43.2785 176.4757 43 V 4.8060 8.8793 115.6480 58.9375 37.0193 172.8803 44 P 4.8532 0.0000 0.0000 62.4244 31.7596 177.3922 45 R 4.0254 9.6658 125.4878 59.9750 29.8166 177.9752 46 H 4.2484 8.4470 113.3508 58.9713 28.2370 176.8965 47 L 4.2535 7.4545 120.3566 56.7481 42.0184 178.2602 48 F 4.5245 8.2784 115.2054 57.7800 39.0819 176.2914 49 A 4.6549 7.7709 121.2917 52.1663 18.1051 176.4616 50 E 4.6637 8.0184 119.1985 56.2527 33.2407 175.8887 51 K 4.5538 7.8150 120.5117 53.2192 34.1229 174.3641 52 Y 4.9133 7.8693 116.7536 56.5219 42.0891 175.2868 53 D 4.5793 8.9845 121.6655 56.7872 41.4597 177.2441 54 K 4.6493 7.6795 117.7040 55.1980 35.1743 174.5480 55 I 5.1922 7.7603 123.2912 58.2839 40.9073 174.3542 *57 L 3.9576 8.1727 121.9168 55.9567 41.6742 176.3864 58 D 4.4377 9.8655 128.4852 55.0898 40.0997 174.6071 59 G 3.8969 8.4989 106.2374 44.8323 0.0000 173.8683 60 R 4.1644 7.5666 120.0943 54.9958 30.2048 175.7045 61 A 4.1183 8.3275 129.0243 51.8594 19.4844 176.2842 *63 T 4.2405 8.0731 110.9756 61.1521 69.8441 174.2727 64 D 3.5541 8.5298 119.7866 54.7819 39.1890 176.9054 65 S 4.3901 7.4035 112.8645 58.8584 63.5255 174.3582 66 D 4.7625 8.0550 121.4873 55.2278 41.2401 174.9006 67 Y 5.0826 6.7302 115.6816 56.0675 41.0267 173.6234 68 R 4.7060 9.1390 119.8850 54.5043 33.1340 174.3025 69 V 4.7006 8.4794 125.1415 61.3504 33.3477 174.5482 70 F 4.7547 9.6665 126.7388 55.9032 41.6287 174.7747 71 E 5.0133 8.5842 120.4260 54.7415 32.2710 175.0544 72 F 5.0906 8.7593 120.6066 56.6160 43.0261 175.1252 73 E 4.5955 8.6812 116.7083 54.0277 33.5606 174.2754 *82 L 4.2835 8.3588 123.4073 54.0602 42.7108 176.5369 83 S 4.3353 8.2513 120.7817 58.6196 62.9683 173.2044 84 D 4.8323 8.8480 124.2461 54.8301 42.2317 174.7137 85 A 5.1063 8.2472 120.1196 51.3129 20.1786 176.5504 86 A 5.0111 9.2751 124.2812 50.3918 23.3658 174.3752 87 L 5.3001 8.5429 121.0025 52.3503 46.0349 174.6307 *89 V 4.3315 8.0956 117.6614 62.8535 32.6051 174.9902 90 L 4.7391 8.7605 128.7326 54.7762 41.8303 177.4350 91 H 4.4852 9.2094 121.1815 58.3857 28.9705 176.0639 92 R 4.7008 8.4928 115.2447 54.0538 33.9498 173.9696 93 G 4.4727 8.4357 106.3096 43.1811 0.0000 172.6999 94 N 4.5052 8.2360 120.7329 53.4559 39.1195 176.3818 95 K 4.5245 8.4413 125.2521 55.4825 32.8447 175.4350 96 V 4.3697 8.1552 115.2519 59.5384 34.3565 175.9034 97 R 4.0878 8.4009 121.2942 56.0905 30.5315 176.7578 98 D 4.6788 8.8525 123.7564 54.5429 41.2139 175.3024 99 I 4.6539 8.6505 120.0493 60.7312 38.2968 177.5893 100 T 3.9567 8.3872 114.6580 64.9741 68.4310 176.2333 101 K 4.1298 8.0423 119.7281 59.1612 33.0093 177.0808 102 H 4.5861 8.4627 116.4093 56.1609 29.0164 175.2044 103 F 4.9170 7.9013 118.1277 55.7994 40.3510 174.3910 104 R 4.7432 8.2825 118.8115 55.0437 33.6609 175.7391 105 D 4.5962 8.5031 117.5297 54.9197 43.0302 175.7522 106 T 4.4482 7.5987 107.3306 59.7535 70.6197 173.2765 107 A 4.7273 8.3303 129.9706 50.9086 22.7891 175.0636 108 R 5.5371 8.0276 117.4851 53.9710 34.8868 174.8522 *110 K 4.2432 8.3582 114.0945 57.2228 33.1497 175.8160 111 K 4.1227 8.7423 123.1250 58.3561 32.3467 177.1743 112 G 4.1230 9.3610 115.5724 44.9753 0.0000 173.7393 113 T 4.3033 7.7717 110.9938 60.5634 70.1201 172.4065 114 P 4.7980 0.0000 0.0000 63.5190 32.0605 175.5251 115 V 4.6601 8.9875 122.0326 61.1266 35.5431 174.2173 116 V 4.5362 8.4242 124.9899 60.9700 34.8456 174.1500 117 G 2.6821 7.9822 115.1025 43.7288 0.0000 172.2252 118 V 4.4399 8.5175 124.6008 60.8999 33.6666 174.5551 119 V 4.4967 8.7076 127.9662 61.2149 35.4537 174.3577 120 N 5.3781 8.4708 125.2337 52.7269 41.3685 172.2921 121 N 5.5028 8.8515 123.2726 51.1184 41.2365 175.0182 122 A 4.1406 8.7130 120.2496 54.3201 18.8307 178.5225 123 D 4.4555 8.3232 115.0398 56.7870 41.5281 177.4080 124 V 4.2106 8.5957 109.5378 60.1694 33.4701 178.4873 125 G 3.7314 7.9938 109.0356 45.9598 0.0000 173.4058 126 R 4.5647 8.4884 122.7611 55.9172 30.7529 176.1284 127 L 4.7613 9.2973 125.8058 53.3437 46.2888 174.7697 128 I 4.9016 8.3662 125.0715 59.4865 39.6072 174.8496 129 F 5.0524 8.5611 122.6231 55.2614 40.6106 174.6920 130 S 5.0792 8.3546 114.1805 57.1849 65.5571 173.4512 131 G 4.3301 8.1502 109.1684 46.5010 0.0000 171.7227 132 E 5.3460 8.4939 116.0013 54.1321 33.7119 174.7906 133 A 3.9646 9.4050 123.9135 52.9671 18.7550 178.4412 134 L 4.2616 8.7518 126.0931 57.9981 42.9288 176.2756 135 T 4.8141 7.4975 106.4526 60.2341 72.1597 172.7602 136 Y 4.5178 8.6623 122.5200 57.7035 39.8012 174.5394 137 K 4.4907 7.5799 124.7985 54.7603 36.4532 174.2491 138 D 4.9091 8.2924 124.7805 52.5833 43.1607 175.1900 139 I 4.0192 8.5796 119.8650 62.1653 38.1824 177.4169 140 V 3.9815 7.7683 113.9544 62.2314 31.6564 174.2649 *149 P 4.0903 0.0000 0.0000 63.5237 32.3080 177.9706 150 G 4.0714 8.8827 108.6152 45.5743 0.0000 172.7115 151 L 5.5248 7.4439 117.9246 52.9664 45.7286 176.0451 152 F 5.1367 9.1135 122.3876 56.8696 42.6804 173.2714 153 A 4.7617 8.4253 127.6130 50.6285 21.6908 174.8041 154 Y 5.1232 7.6129 116.9052 55.6196 42.3500 173.8452 155 K 4.8008 8.8755 120.6919 55.8986 33.1749 175.8653 156 A 4.6591 8.9464 124.4308 51.5024 23.4824 175.0438 157 A 4.5558 8.7288 123.5766 51.1163 19.2752 177.0920 158 T 4.0962 7.9135 111.8078 59.7578 72.2744 172.7289 159 R 4.2000 5.8400 118.7553 53.3896 33.8332 174.8740 160 A 4.1705 8.0770 122.5355 53.3055 18.8496 177.8728 161 G 4.2941 9.0607 109.8627 45.6915 0.0000 175.1270 162 Y 4.3245 8.2528 116.6413 59.6459 38.5342 175.6351 163 A 4.5203 8.1654 123.4384 54.0095 18.7301 177.7314 164 G 4.2795 8.5994 110.9008 46.2470 0.0000 174.6300 165 G 4.1625 8.4135 106.6567 45.3354 0.0000 173.3281 166 A 4.7865 8.5068 123.6786 51.5419 20.2519 176.4444 167 V 4.4853 8.4154 120.6761 60.9647 34.3867 174.2706 168 L 4.8864 8.8008 127.7434 53.0332 44.4630 175.5629 169 A 4.8991 7.8562 123.7466 50.2915 23.0687 174.3586 170 K 5.0982 8.5655 115.4662 54.5425 35.1116 176.6937 171 D 5.1710 8.1493 120.0081 50.1147 42.6046 174.1946 172 G 4.1288 9.0701 111.8073 44.4480 0.0000 172.3476 173 A 4.6382 9.0902 122.8493 51.3722 21.3258 176.6479 174 D 4.8204 7.9203 117.2785 53.4832 42.4212 175.8973 175 T 4.9843 8.5409 120.7472 63.0736 69.8345 173.9438 176 F 4.9173 8.5525 119.1678 55.5627 42.4058 173.0782 177 I 3.9942 8.2636 120.7104 60.5782 37.5028 177.2689 178 V 3.7576 8.7967 128.7628 63.4050 32.4231 176.0837 179 G 4.8873 7.2330 108.6785 46.2351 0.0000 170.9056 180 T 5.2513 7.7720 112.6435 59.5945 72.3343 173.4879 181 H 4.5122 9.5910 124.4599 57.5267 30.5633 175.0681 182 S 4.4860 8.2171 119.8780 59.7327 65.0548 174.0166 183 A 4.3085 6.3261 118.0711 51.5564 22.2812 175.1612 184 G 4.2007 7.1243 105.9935 45.7416 0.0000 173.2169 185 G 3.9256 9.3496 107.6014 46.2386 0.0000 173.0693 186 N 4.2294 10.0612 116.5845 53.9243 36.4737 175.6462 187 G 4.0155 8.6428 104.8588 44.1604 0.0000 173.8088 188 V 4.8876 7.8318 112.5389 59.7812 36.0588 174.8763 189 G 4.3411 8.6950 109.7349 45.8310 0.0000 170.8097 190 Y 4.8044 8.2383 116.7887 55.4355 41.8704 173.7577 191 C 5.4168 9.2682 114.8010 56.5934 34.0032 173.0459 192 S 5.0518 8.9607 117.0275 57.8466 63.5915 173.7551 193 C 4.8360 9.1533 124.2653 59.9004 28.7813 173.6895 194 V 4.3604 8.7672 123.0897 61.0037 33.2944 175.5415 195 S 4.7213 8.6270 122.6188 57.5677 64.3742 174.2831 196 R 4.0225 8.8001 123.0293 59.7005 30.0786 180.8703 197 S 4.4241 8.6935 113.6972 58.0104 62.1174 176.2685 *199 L 4.3288 8.0572 122.1350 56.1331 43.6177 178.6662 200 Q 3.9435 8.2744 117.5392 59.0269 28.8035 179.3056 201 K 4.0314 8.4175 113.9206 57.3752 31.6312 178.4789 *203 K 3.7287 8.0681 121.8255 56.2326 33.6639 176.9394 204 A 4.0135 7.9205 120.9285 55.0957 18.5791 176.6850 205 H 4.2616 8.2727 119.3244 56.5678 29.7979 174.7211 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 7 D 8.22 4.58 0.00 2.82 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 8 L 7.84 3.48 0.00 1.56 1.58 0.62 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.70 3.97 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.25 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 10 K 7.21 3.64 0.00 1.74 1.83 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 *12 V 7.79 3.80 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 0.91 0.00 0.00 0.85 0.00 0.00 *14 G 8.12 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 15 N 8.15 4.63 0.00 2.99 2.96 0.00 0.00 6.79 6.57 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 16 T 7.64 5.07 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 1.21 0.00 0.00 17 K 9.00 4.83 0.00 1.55 1.58 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.46 7.81 18 P 0.00 5.30 0.00 2.27 2.22 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.78 0.00 19 V 8.86 4.60 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 1.06 0.00 0.00 0.89 0.00 0.00 20 E 8.62 4.94 0.00 1.90 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 21 L 8.86 4.50 0.00 1.00 0.13 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 22 N 9.03 5.58 0.00 2.73 2.70 0.00 0.00 6.42 6.35 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 23 L 9.21 5.03 0.00 1.22 1.46 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 D 10.61 4.38 0.00 2.64 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 25 G 8.43 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 0.00 0.00 0.00 26 K 7.94 4.59 0.00 1.64 1.64 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.24 7.81 27 T 8.29 5.09 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 1.18 0.00 0.00 28 V 8.58 4.16 2.16 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 0.68 0.00 0.00 1.17 0.00 0.00 29 A 7.57 4.78 1.16 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 0.00 0.00 30 I 7.93 5.05 1.87 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 1.41 1.25 0.89 0.00 0.00 31 C 8.32 5.31 0.00 3.28 3.11 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 32 C 8.75 5.43 0.00 2.85 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 33 A 8.69 4.81 1.05 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 0.00 0.00 34 T 8.91 4.65 4.32 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 1.28 0.00 0.00 35 G 9.07 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 0.00 0.00 0.00 36 V 7.97 4.45 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 0.76 0.00 0.00 0.61 0.00 0.00 37 F 7.53 4.79 0.00 3.13 3.06 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 0.00 0.00 0.00 0.00 38 G 7.82 4.04 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 0.00 39 T 8.44 4.81 4.35 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 1.34 0.00 0.00 40 A 8.02 4.70 0.20 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 0.00 0.00 41 Y 8.26 4.92 0.00 2.73 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 42 L 8.90 4.75 0.00 1.62 1.64 1.02 0.83 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 43 V 8.88 4.81 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 0.39 0.00 0.00 0.39 0.00 0.00 44 P 0.00 4.85 0.00 2.16 2.07 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 45 R 9.67 4.03 0.00 1.97 2.23 0.00 3.21 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 46 H 8.45 4.25 0.00 3.43 3.51 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.45 4.25 0.00 1.75 1.59 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.28 4.52 0.00 3.19 3.21 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 49 A 7.77 4.65 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 50 E 8.02 4.66 0.00 2.11 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 0.00 2.22 2.08 0.00 51 K 7.81 4.55 0.00 1.75 1.56 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 0.99 7.81 52 Y 7.87 4.91 0.00 2.87 3.08 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 53 D 8.98 4.58 0.00 2.70 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 54 K 7.68 4.65 0.00 1.76 1.60 0.00 1.65 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0.00 1.17 0.00 0.00 107 A 8.33 4.73 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.03 5.54 0.00 1.50 1.76 0.00 3.29 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 0.00 *110 K 8.36 4.24 0.00 1.94 1.92 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.60 1.55 7.81 111 K 8.74 4.12 0.00 1.84 1.83 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.71 7.81 112 G 9.36 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 0.00 113 T 7.77 4.30 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 1.31 0.00 0.00 114 P 0.00 4.80 0.00 2.08 2.11 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 115 V 8.99 4.66 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 0.63 0.00 0.00 1.12 0.00 0.00 116 V 8.42 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0.00 0.96 0.00 0.00 *149 P 0.00 4.09 0.00 2.26 2.24 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 150 G 8.88 4.07 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 0.00 0.00 0.00 151 L 7.44 5.52 0.00 1.45 1.58 0.67 0.85 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 0.00 152 F 9.11 5.14 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.43 4.76 1.07 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 0.00 0.00 154 Y 7.61 5.12 0.00 3.02 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 0.00 155 K 8.88 4.80 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 156 A 8.95 4.66 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 0.00 157 A 8.73 4.56 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 0.00 158 T 7.91 4.10 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 0.47 0.00 0.00 159 R 5.84 4.20 0.00 1.11 1.55 0.00 3.26 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 0.00 160 A 8.08 4.17 1.20 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 0.00 0.00 161 G 9.06 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 0.00 0.00 0.00 0.00 162 Y 8.25 4.32 0.00 3.02 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 0.00 163 A 8.17 4.52 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 0.00 164 G 8.60 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 0.00 0.00 0.00 0.00 165 G 8.41 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 0.00 0.00 0.00 166 A 8.51 4.79 1.16 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 0.00 0.00 167 V 8.42 4.49 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 0.88 0.00 0.00 1.00 0.00 0.00 168 L 8.80 4.89 0.00 1.32 1.27 0.74 0.23 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 0.00 169 A 7.86 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.57 5.10 0.00 1.66 1.74 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.34 7.81 171 D 8.15 5.17 0.00 2.55 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 0.00 172 G 9.07 4.13 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 0.00 0.00 0.00 173 A 9.09 4.64 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 0.00 174 D 7.92 4.82 0.00 2.65 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 0.00 175 T 8.54 4.98 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 1.12 0.00 0.00 176 F 8.55 4.92 0.00 3.22 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 0.00 177 I 8.26 3.99 0.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.82 0.23 0.00 0.00 178 V 8.80 3.76 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 0.97 0.00 0.00 0.35 0.00 0.00 179 G 7.23 4.89 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 0.00 0.00 0.00 180 T 7.77 5.25 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 1.34 0.00 0.00 181 H 9.59 4.51 0.00 3.51 3.56 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 S 8.22 4.49 0.00 3.23 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 0.00 183 A 6.33 4.31 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 7.12 4.20 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 0.00 0.00 0.00 185 G 9.35 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 0.00 0.00 0.00 186 N 10.06 4.23 0.00 2.81 2.85 0.00 0.00 7.15 7.65 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 0.00 187 G 8.64 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 0.00 0.00 0.00 188 V 7.83 4.89 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 0.76 0.00 0.00 0.99 0.00 0.00 189 G 8.69 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 0.00 190 Y 8.24 4.80 0.00 2.99 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 0.00 191 C 9.27 5.42 0.00 3.29 3.46 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 0.00 192 S 8.96 5.05 0.00 3.91 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 0.00 193 C 9.15 4.84 0.00 2.88 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 0.00 194 V 8.77 4.36 2.32 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 0.44 0.00 0.00 0.99 0.00 0.00 195 S 8.63 4.72 0.00 4.20 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 0.00 196 R 8.80 4.02 0.00 1.94 2.31 0.00 3.09 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 197 S 8.69 4.42 0.00 3.98 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 *199 L 8.06 4.33 0.00 1.67 1.71 -0.43 0.84 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 0.00 200 Q 8.27 3.94 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 201 K 8.42 4.03 0.00 1.83 1.86 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.58 7.81 *203 K 8.07 3.73 0.00 1.12 1.70 0.00 1.10 0.00 0.00 1.33 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.21 7.81 204 A 7.92 4.01 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 0.00 205 H 8.27 4.26 0.00 3.07 3.05 0.00 5.81 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 * Residues marked with a * may have inaccurate shift predictions.