NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3205 8.3231 117.1012 56.0125 64.8854 175.5673 6 G 3.7764 7.0976 114.9977 45.5417 0.0000 171.0762 7 T 4.4563 7.7263 118.7680 60.7385 71.4344 171.1729 8 F 4.9945 7.5608 123.0181 56.0368 41.1915 173.1041 9 N 4.5984 8.8048 118.7021 52.6035 40.1792 173.4214 10 P 2.0000 0.0000 0.0000 63.9834 31.4129 177.7962 11 Q 4.3307 7.7632 117.0854 56.8485 28.4682 181.4632 12 D 5.0735 7.7482 114.4053 54.5912 41.3032 176.5557 13 F 4.3739 7.8831 117.5815 57.2974 39.3669 174.7066 14 A 4.3324 7.8248 126.2140 50.7060 19.2276 177.1624 15 W 4.9062 8.3405 122.7564 55.6266 30.9030 176.8298 16 Q 4.0261 9.2288 122.6444 57.1848 28.7280 177.9150 17 G 4.0383 9.2847 102.2808 45.4361 0.0000 172.2276 18 L 4.5926 5.6200 118.8832 53.5460 43.5367 175.8896 19 T 4.7579 8.2737 110.1269 59.9011 72.5995 172.5274 20 L 5.2981 8.1487 121.2221 52.9900 44.7912 176.9357 21 T 4.2555 8.7166 114.0834 60.4986 69.9655 173.9607 22 P 4.2551 0.0000 0.0000 66.1708 30.6088 178.5261 23 A 4.0174 8.0116 119.8687 54.8167 18.3793 179.3032 24 A 4.1643 8.2236 119.3525 55.0468 18.4652 179.5565 25 A 3.9703 8.1676 119.6701 55.5134 18.4212 180.0121 26 I 3.6591 7.5100 111.6083 64.4257 37.5635 178.1247 27 H 3.9508 7.8309 117.2338 58.1386 28.3375 177.9453 28 I 3.7730 7.8948 122.0343 64.5297 36.9275 178.4662 29 R 4.0000 8.1008 118.9075 59.4760 29.4007 179.0446 30 E 3.9579 8.4377 118.6642 59.2467 29.1999 179.3875 31 L 4.1014 7.9348 118.6296 57.6496 41.9902 179.3784 32 V 3.7364 8.3447 118.5234 65.9584 31.3003 178.0014 33 A 4.0434 8.1196 119.7327 54.9480 18.2366 179.2352 34 K 4.2939 7.7048 116.1121 57.5324 32.5928 176.4794 35 Q 4.5109 7.7141 118.7911 52.8876 29.5020 173.0994 36 P 4.4702 0.0000 0.0000 64.0749 31.8358 176.4853 37 G 4.0024 8.9946 109.8288 45.5328 0.0000 173.3073 38 M 4.4627 7.5376 119.2300 55.3007 32.7667 175.9715 39 V 4.3365 8.6393 118.0717 60.8643 34.0080 175.5060 40 G 4.1044 7.0667 105.4033 46.6397 0.0000 171.9561 41 V 5.1780 7.8023 111.8938 59.4753 35.7007 175.0080 42 R 5.1861 8.9208 123.2480 54.6193 32.4551 174.2331 43 L 4.9344 9.0647 129.6049 54.3171 43.3727 175.6744 44 G 4.3199 9.1424 112.4728 45.1019 0.0000 171.0725 45 V 5.1414 8.2225 111.5385 59.4733 35.5220 175.3395 46 K 4.4054 8.6401 121.0673 57.5031 36.6199 180.1389 47 Q 3.4547 9.0817 126.1910 57.3740 27.7169 175.2260 *52 G 3.8756 9.0351 100.5588 44.4657 0.0000 171.7790 53 F 5.0397 7.7386 111.1678 55.7253 41.3328 173.6832 54 G 3.9027 8.1448 106.8171 44.9174 0.0000 171.8368 55 Y 4.7535 8.1149 119.4688 57.4680 38.9168 175.4925 56 V 4.5897 8.7608 115.7600 59.6518 36.1784 174.4300 57 L 5.2192 8.5869 123.0581 53.2710 43.9720 175.2470 58 D 4.9728 8.7863 120.9092 52.5514 45.2240 174.5377 59 S 4.8367 8.6379 118.7388 57.9610 64.3329 173.6919 60 V 4.1413 8.6269 123.0676 61.6591 33.5453 174.5994 61 S 4.5647 8.9911 122.0247 59.1316 65.1168 173.7506 62 E 4.4841 7.6361 122.9029 53.4979 30.5722 174.5587 63 P 3.9176 0.0000 0.0000 62.2620 31.9038 175.7980 64 D 4.4731 8.1217 121.7315 54.2856 42.0673 177.3423 65 K 4.1057 8.2398 124.0632 57.9383 32.3433 179.5188 66 D 4.8418 7.9765 119.8802 54.2837 40.8234 175.8253 67 D 5.4117 7.6944 118.4912 52.5863 44.9468 176.8821 68 L 4.7797 9.2404 122.8829 53.4484 44.1014 175.1603 69 L 4.7305 7.9345 122.8435 53.1384 44.7884 175.4667 70 F 4.7527 8.8004 124.1650 55.8713 41.9589 173.9225 71 E 5.2388 8.4813 122.9023 54.4325 32.1858 175.5414 72 H 4.1912 8.8561 116.6493 56.7322 32.4516 173.7066 73 D 4.3976 9.7884 128.3612 55.5851 38.1959 174.8108 74 G 3.7978 8.4278 103.7655 45.6787 0.0000 173.4980 75 A 4.5087 7.9733 123.9250 50.2951 20.3639 176.3306 76 K 4.4659 8.4713 123.0408 54.8855 34.1663 175.2680 77 L 4.9327 8.5351 127.9600 53.3135 44.4640 174.8737 78 F 5.3362 9.4479 125.8905 56.0830 41.4964 175.1808 79 V 4.8868 8.8613 122.6683 60.2997 34.7081 173.4222 80 P 5.3707 0.0000 0.0000 61.9004 32.4965 177.1822 81 L 3.8784 8.5977 121.0639 58.1407 41.3600 179.8995 82 Q 4.0925 8.2294 115.3226 58.9201 28.3824 177.8235 83 A 4.5070 7.8018 121.0398 53.2829 19.6428 178.8222 84 M 3.5898 7.6802 118.1825 57.9748 31.6568 177.0139 85 P 4.5930 0.0000 0.0000 65.4949 31.2704 177.3979 86 F 4.6031 8.1429 115.9737 57.8237 40.0547 176.2824 87 I 4.6621 7.8173 109.9605 60.1701 38.0122 174.6474 88 D 4.4536 7.8298 120.3690 56.2166 41.3542 176.8524 89 G 4.0319 8.2664 112.7619 45.4789 0.0000 174.0557 90 T 4.2315 7.6073 117.0635 63.8850 69.8532 172.6947 91 E 4.9522 9.3386 126.6388 54.4320 32.4201 174.4835 92 V 4.5063 8.3699 126.7989 61.3331 33.6090 174.0648 93 D 5.3840 8.9539 127.0087 52.2827 45.1197 173.7989 94 F 4.8144 8.4258 121.5710 56.2485 42.5077 173.8558 95 V 4.1757 7.0942 124.1571 61.1494 35.2946 173.2655 96 R 4.5715 8.3050 127.4257 54.9852 31.5635 175.7554 97 E 4.4430 9.2234 126.5095 54.8546 31.4367 177.0489 98 G 3.7296 7.9912 116.7331 46.9157 0.0000 174.0206 99 L 4.2349 8.5996 124.4680 55.3762 42.0326 176.2041 100 N 4.5600 8.2254 118.3130 52.5621 39.2466 173.8210 101 Q 4.5891 8.5763 121.9246 54.1708 30.8121 174.7443 102 I 4.4379 7.7619 125.1034 58.8844 41.2163 174.2422 103 F 4.4960 8.8004 127.8919 56.6821 40.0280 174.7812 104 K 4.2878 8.5177 124.3609 54.3457 35.0937 174.6010 105 F 4.8587 8.3274 124.6497 55.9867 41.3541 174.5538 106 H 4.8102 9.2734 122.8329 54.4982 29.9817 173.4931 107 N 5.3337 8.5850 123.1221 50.9081 40.4880 173.9962 108 P 4.3801 0.0000 0.0000 65.4677 31.7675 176.3303 109 K 4.3935 8.0662 118.2646 56.4546 32.3992 176.6106 110 A 4.3930 7.7754 126.9825 52.5172 18.6564 178.0280 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 5 S 8.32 4.32 0.00 3.65 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 6 G 7.10 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.73 4.46 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 1.31 0.00 0.00 8 F 7.56 4.99 0.00 3.36 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 9 N 8.80 4.60 0.00 2.75 2.83 0.00 0.00 6.68 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 10 P 0.00 2.00 0.00 2.05 1.47 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 11 Q 7.76 4.33 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.34 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 12 D 7.75 5.07 0.00 2.72 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 13 F 7.88 4.37 0.00 2.32 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.82 4.33 1.11 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 0.00 0.00 15 W 8.34 4.91 0.00 3.53 3.51 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 16 Q 9.23 4.03 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 17 G 9.28 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 18 L 5.62 4.59 0.00 0.96 1.43 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.27 4.76 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 20 L 8.15 5.30 0.00 1.39 1.49 0.91 0.89 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 21 T 8.72 4.26 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 1.27 0.00 0.00 22 P 0.00 4.26 0.00 2.30 2.39 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 23 A 8.01 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 24 A 8.22 4.16 1.50 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 0.00 0.00 25 A 8.17 3.97 1.48 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 0.00 0.00 26 I 7.51 3.66 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.79 0.96 0.00 0.00 27 H 7.83 3.95 0.00 2.69 2.88 0.00 5.62 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 28 I 7.89 3.77 2.07 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.78 0.91 0.00 0.00 29 R 8.10 4.00 0.00 2.02 1.97 0.00 3.12 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 30 E 8.44 3.96 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 31 L 7.93 4.10 0.00 1.82 1.77 1.10 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.34 3.74 2.22 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 1.03 0.00 0.00 1.05 0.00 0.00 33 A 8.12 4.04 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 34 K 7.70 4.29 0.00 2.00 1.87 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 35 Q 7.71 4.51 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 36 P 0.00 4.47 0.00 2.18 2.06 0.00 3.74 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 1.99 1.97 0.00 37 G 8.99 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 0.00 0.00 0.00 38 M 7.54 4.46 0.00 2.14 1.99 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 2.76 2.54 0.00 39 V 8.64 4.34 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 0.76 0.00 0.00 1.15 0.00 0.00 40 G 7.07 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 0.00 0.00 0.00 41 V 7.80 5.18 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 0.65 0.00 0.00 0.86 0.00 0.00 42 R 8.92 5.19 0.00 1.88 1.79 0.00 3.08 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 43 L 9.06 4.93 0.00 1.72 1.60 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.14 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 0.00 0.00 0.00 0.00 45 V 8.22 5.14 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 0.63 0.00 0.00 0.79 0.00 0.00 46 K 8.64 4.41 0.00 1.69 1.80 0.00 1.37 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.32 7.81 47 Q 9.08 3.45 0.00 2.20 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.33 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 *52 G 9.04 3.88 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 0.00 0.00 0.00 53 F 7.74 5.04 0.00 2.99 2.80 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 0.00 0.00 0.00 54 G 8.14 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 55 Y 8.11 4.75 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.76 4.59 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 0.74 0.00 0.00 0.90 0.00 0.00 57 L 8.59 5.22 0.00 1.55 1.55 0.48 1.00 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 58 D 8.79 4.97 0.00 2.72 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.64 4.84 0.00 3.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.63 4.14 2.29 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 0.62 0.00 0.00 0.94 0.00 0.00 61 S 8.99 4.56 0.00 3.83 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 62 E 7.64 4.48 0.00 1.86 1.82 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 2.17 2.17 0.00 63 P 0.00 3.92 0.00 1.84 0.93 0.00 3.66 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 64 D 8.12 4.47 0.00 2.55 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.24 4.11 0.00 1.83 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.39 1.29 7.81 66 D 7.98 4.84 0.00 2.78 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 67 D 7.69 5.41 0.00 2.80 2.63 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 0.00 0.00 0.00 0.00 68 L 9.24 4.78 0.00 1.66 1.27 0.84 0.37 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 69 L 7.93 4.73 0.00 1.50 1.33 -0.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.80 4.75 0.00 3.02 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 71 E 8.48 5.24 0.00 1.81 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 2.13 2.01 0.00 72 H 8.86 4.19 0.00 3.13 3.10 0.00 5.82 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 9.79 4.40 0.00 2.91 2.74 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 0.00 0.00 0.00 74 G 8.43 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.97 4.51 1.33 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 0.00 0.00 0.00 76 K 8.47 4.47 0.00 1.83 1.28 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.37 7.81 77 L 8.54 4.93 0.00 1.73 1.68 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.45 5.34 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.86 4.89 2.28 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 1.02 0.00 0.00 1.08 0.00 0.00 80 P 0.00 5.37 0.00 2.25 2.23 0.00 4.07 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 81 L 8.60 3.88 0.00 1.75 1.81 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.23 4.09 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 83 A 7.80 4.51 1.33 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 0.00 0.00 0.00 84 M 7.68 3.59 0.00 0.51 1.19 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.46 0.00 85 P 0.00 4.59 0.00 1.88 2.39 0.00 3.75 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 2.25 2.24 0.00 86 F 8.14 4.60 0.00 3.09 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 87 I 7.82 4.66 2.09 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 1.31 0.98 1.27 0.00 0.00 88 D 7.83 4.45 0.00 2.99 2.80 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 0.00 0.00 0.00 89 G 8.27 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 90 T 7.61 4.23 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 1.22 0.00 0.00 91 E 9.34 4.95 0.00 1.97 1.79 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 2.17 2.19 0.00 92 V 8.37 4.51 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 0.80 0.00 0.00 1.02 0.00 0.00 93 D 8.95 5.38 0.00 2.69 2.33 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 0.00 94 F 8.43 4.81 0.00 2.71 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 95 V 7.09 4.18 1.76 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 0.69 0.00 0.00 0.76 0.00 0.00 96 R 8.30 4.57 0.00 1.83 1.76 0.00 3.33 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 97 E 9.22 4.44 0.00 1.88 1.76 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 2.11 2.06 0.00 98 G 7.99 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 99 L 8.60 4.23 0.00 1.65 1.73 0.92 0.97 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 0.00 100 N 8.23 4.56 0.00 2.93 2.66 0.00 0.00 6.71 7.35 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 0.00 101 Q 8.58 4.59 0.00 2.03 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 102 I 7.76 4.44 1.77 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 1.09 1.35 0.78 0.00 0.00 103 F 8.80 4.50 0.00 2.89 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.52 4.29 0.00 1.55 1.28 0.00 1.31 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.27 7.81 105 F 8.33 4.86 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 9.27 4.81 0.00 3.01 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.59 5.33 0.00 2.92 2.89 0.00 0.00 6.88 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 0.00 108 P 0.00 4.38 0.00 2.25 2.20 0.00 3.89 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 2.04 2.03 0.00 109 K 8.07 4.39 0.00 2.07 1.94 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.42 7.81 110 A 7.78 4.39 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 * Residues marked with a * may have inaccurate shift predictions.