NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4496 0.0000 0.0000 62.2428 32.6857 179.4191 4 I 4.8231 8.9291 132.0521 60.9970 37.1245 172.7646 5 F 4.7001 8.9216 129.9394 57.1013 42.2357 174.8939 6 G 3.4357 5.7581 108.8680 45.3412 0.0000 170.2630 7 P 4.5532 0.0000 0.0000 61.4820 31.5715 175.5434 8 E 4.5281 9.1053 125.9280 59.1433 30.7162 176.4701 9 E 5.3610 8.0668 116.5203 54.7279 34.0163 175.2053 10 V 4.6022 9.3707 123.4223 61.1001 34.8701 173.7775 11 N 5.6391 8.8758 124.4494 51.5646 40.3347 173.2180 12 S 4.6147 9.0750 114.6405 57.6355 66.9320 172.1823 13 V 4.9083 8.1444 119.2428 60.4596 34.6397 174.8246 14 E 4.3462 8.5729 125.1580 58.5181 29.7516 177.8538 15 G 3.9813 10.0201 112.5465 45.3915 0.0000 173.2506 16 N 4.7584 7.9490 117.1681 53.1051 40.6487 173.8813 17 S 5.3128 8.3054 114.7605 57.2391 67.1866 173.6751 18 V 4.7294 8.5590 119.3944 60.6805 34.7379 172.8526 19 S 5.0916 8.5261 116.9001 56.5908 65.5004 173.0597 20 I 4.3162 8.5460 124.2538 59.7232 39.7009 174.3921 21 T 4.6552 8.3362 123.7131 61.8725 70.4602 174.4767 22 C 4.8971 8.0682 123.7033 55.1633 41.5703 172.6066 23 Y 5.1045 9.4688 121.8779 56.5487 40.5343 174.3736 24 Y 5.3922 8.3678 119.7983 54.4973 42.3185 172.6676 25 P 4.3661 0.0000 0.0000 62.2908 31.5353 175.8403 26 P 4.7944 0.0000 0.0000 62.7550 28.7757 175.3660 27 T 4.6283 7.7823 118.3115 60.5742 71.9273 176.3888 28 S 4.0831 8.5814 115.3877 62.4336 62.9834 175.6224 29 V 3.6138 8.0681 121.8502 64.8373 30.9214 177.3607 30 N 4.1197 8.1866 119.6655 56.3537 38.7534 177.4498 31 R 4.0983 7.4584 118.5571 59.7982 30.3847 178.6280 32 H 4.3459 7.5753 114.3301 58.1117 29.1007 176.4684 33 T 4.1003 7.8431 117.6801 63.8792 69.6093 174.2747 34 R 4.1340 8.5496 120.6102 56.1496 31.4326 175.1730 35 K 4.7812 8.7460 120.4153 54.7489 34.7518 174.8278 36 Y 5.4705 8.1310 120.8670 55.2909 42.4594 173.8172 37 W 5.9148 9.4700 129.7690 56.1429 33.8461 171.4900 38 C 5.4236 9.3048 121.4087 53.6310 46.4762 172.5939 39 R 4.3801 8.2931 119.5976 54.0280 32.3815 174.6923 40 Q 3.9689 8.4486 124.9745 56.6792 28.9287 175.6405 *46 C 4.4805 8.5701 124.0476 56.0924 45.7375 172.8893 47 I 4.0312 8.3499 128.6048 60.8777 37.7728 176.0440 48 T 4.1654 8.5693 124.7318 64.1608 68.4660 174.0678 49 L 4.3549 9.1353 126.1558 56.1310 44.1858 176.4698 50 I 4.9756 7.5542 116.1965 60.1149 41.2958 173.4566 51 S 5.3590 8.9687 122.8943 56.6059 66.5020 173.5732 52 S 4.5136 8.7728 113.3811 58.3307 63.2600 174.4669 53 E 4.4498 8.1048 118.3289 56.7048 29.3438 176.5371 54 G 4.0962 8.7056 106.2872 45.2779 0.0000 172.8737 55 Y 4.8234 7.9173 120.0801 55.3330 41.3504 175.1169 56 V 4.3224 7.3628 125.8679 58.9601 33.7399 174.8808 57 S 3.9876 8.0655 121.4264 58.1985 64.3372 175.4229 58 S 3.6410 8.9085 122.0839 62.3545 62.4917 177.3803 59 K 4.2153 8.1131 126.1131 59.2455 31.6718 182.0407 60 Y 4.9978 7.5601 115.1984 58.8753 38.6947 175.6111 61 A 3.9413 8.2376 122.7819 53.5190 18.2164 175.9389 62 G 4.1366 9.2603 112.0391 45.1118 0.0000 173.8820 63 R 4.6040 8.5172 114.8242 55.3875 30.5902 175.5294 64 A 4.8416 7.5636 118.7052 51.8827 22.1843 175.6322 65 N 4.9494 8.8770 116.8978 52.1844 43.0934 172.9443 66 L 5.2586 8.4894 125.8496 53.6045 44.9064 175.4522 67 T 4.5488 9.0577 122.7747 61.6121 71.9389 172.3360 68 N 5.2362 8.4378 123.8093 51.9809 41.6589 174.4351 69 F 4.8300 9.4796 124.4039 54.6049 39.7580 173.7316 70 P 4.4339 0.0000 0.0000 65.2902 31.9582 179.1876 71 E 4.0667 8.5597 113.7215 58.6098 29.3514 181.3754 72 N 4.9226 8.0031 114.8375 52.2031 38.4914 174.6927 73 G 3.2572 8.0475 103.3841 45.6368 0.0000 172.8662 74 T 4.8401 7.5198 107.0690 60.2231 73.3209 174.6627 75 F 5.4118 8.4623 116.8658 55.5463 41.8872 173.2574 76 V 4.7447 9.2482 121.1639 61.1092 34.5430 174.1493 77 V 4.6042 8.4301 127.8354 61.3055 33.4408 173.7644 78 N 5.2484 9.1392 126.1394 51.5649 40.9867 174.0118 79 I 4.6735 8.7228 123.9672 59.3646 40.7321 174.7663 80 A 5.0270 8.6912 128.2840 48.4999 21.8296 175.6398 81 Q 3.2201 8.2897 117.3598 57.1928 26.8871 174.0436 82 L 4.4426 8.0288 119.1595 54.9717 43.0136 177.2940 83 S 4.6521 9.1696 116.0962 56.1929 66.4151 174.8342 84 Q 4.1525 8.9754 119.8159 59.3291 28.7443 179.0121 85 D 4.3980 7.7350 115.3983 57.5384 41.1335 177.5587 86 D 4.7431 8.1978 116.9460 56.5113 41.0075 177.1663 87 S 4.4774 8.2922 116.6735 57.6958 63.4863 174.5895 88 G 3.8705 8.2084 112.0351 46.0715 0.0000 170.2559 89 R 5.1181 7.5095 117.4778 54.8608 32.8279 175.3952 90 Y 4.9029 9.3140 120.0975 56.4929 43.0013 173.9952 91 K 5.9101 8.8654 117.8780 55.2360 37.3180 173.2690 92 C 5.6574 9.0615 118.0485 54.1768 46.0767 173.1658 93 G 4.3073 7.6174 107.3168 46.5335 0.0000 171.3942 94 L 5.0089 8.1917 119.1174 53.8149 44.6431 179.5553 95 G 3.8382 8.8064 109.8399 45.0722 0.0000 173.2096 96 I 3.6246 8.3465 112.7386 61.2618 37.7862 176.3597 97 N 3.2416 8.5235 122.8867 55.9200 39.1191 175.0508 98 S 4.7082 7.8363 113.9341 58.5623 63.3306 176.2010 99 R 4.0941 8.7656 120.3538 57.7540 29.2485 181.4338 100 G 4.1843 7.7488 103.2644 46.7532 0.0000 174.3291 101 L 4.4831 7.4856 120.7034 54.9449 40.9167 174.9273 102 S 5.9162 7.3482 114.4750 57.1505 66.7702 173.9237 103 F 4.7386 8.4884 118.5099 57.9257 42.6385 174.1028 104 D 5.1458 8.0963 126.3387 54.1115 41.9304 175.8544 105 V 4.7760 9.1232 122.7565 61.3880 35.0980 174.0721 106 S 5.2544 9.1328 124.2635 57.0515 64.9696 172.6879 107 L 5.2094 9.4040 127.9626 53.2958 44.2615 174.4605 108 E 4.8760 9.4931 128.0166 54.6008 32.0691 174.8522 109 V 4.6614 8.5417 128.9094 61.0335 32.2795 175.4489 110 L 4.2656 9.1816 129.2818 54.5090 42.7230 176.8071 111 E 4.5315 8.6683 123.0115 55.9039 30.7366 176.1224 112 H 4.2564 9.8596 124.7392 56.6873 29.8520 174.9491 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 3 P 0.00 4.45 0.00 2.21 1.23 0.00 3.78 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 2.02 2.20 0.00 4 I 8.93 4.82 2.10 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 1.63 1.20 1.09 0.00 0.00 5 F 8.92 4.70 0.00 2.99 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 6 G 5.76 3.44 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 0.00 7 P 0.00 4.55 0.00 2.06 1.97 0.00 3.61 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 8 E 9.11 4.53 0.00 2.34 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 2.46 2.41 0.00 9 E 8.07 5.36 0.00 1.89 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 2.27 2.38 0.00 10 V 9.37 4.60 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 0.99 0.00 0.00 0.97 0.00 0.00 11 N 8.88 5.64 0.00 2.74 2.77 0.00 0.00 5.92 7.64 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 12 S 9.08 4.61 0.00 3.85 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 13 V 8.14 4.91 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 0.95 0.00 0.00 0.93 0.00 0.00 14 E 8.57 4.35 0.00 2.03 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 2.39 2.53 0.00 15 G 10.02 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 16 N 7.95 4.76 0.00 3.01 2.75 0.00 0.00 6.60 6.87 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 17 S 8.31 5.31 0.00 3.68 3.65 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 18 V 8.56 4.73 2.03 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 0.73 0.00 0.00 0.86 0.00 0.00 19 S 8.53 5.09 0.00 3.74 3.75 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 20 I 8.55 4.32 1.30 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 1.04 0.46 0.77 0.00 0.00 21 T 8.34 4.66 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 0.81 0.00 0.00 22 C 8.07 4.90 0.00 1.52 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 23 Y 9.47 5.10 0.00 2.83 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 24 Y 8.37 5.39 0.00 3.10 3.17 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 25 P 0.00 4.37 0.00 2.31 2.24 0.00 4.07 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 26 P 0.00 4.79 0.00 2.25 2.21 0.00 3.80 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 2.03 1.97 0.00 27 T 7.78 4.63 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 1.31 0.00 0.00 28 S 8.58 4.08 0.00 4.10 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 29 V 8.07 3.61 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 0.93 0.00 0.00 0.95 0.00 0.00 30 N 8.19 4.12 0.00 2.96 2.55 0.00 0.00 6.99 7.69 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 31 R 7.46 4.10 0.00 1.77 1.96 0.00 3.20 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.05 0.00 32 H 7.58 4.35 0.00 3.09 3.32 0.00 5.68 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 33 T 7.84 4.10 4.15 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 0.00 0.00 0.00 1.15 0.00 0.00 34 R 8.55 4.13 0.00 1.89 2.16 0.00 2.98 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 35 K 8.75 4.78 0.00 1.08 0.74 0.00 0.93 0.00 0.00 1.27 0.00 0.00 2.73 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.03 1.01 7.81 36 Y 8.13 5.47 0.00 3.13 3.07 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 37 W 9.47 5.91 0.00 3.60 3.28 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 38 C 9.30 5.42 0.00 2.93 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 39 R 8.29 4.38 0.00 1.55 1.53 0.00 2.84 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.00 40 Q 8.45 3.97 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.41 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 *46 C 8.57 4.48 0.00 2.94 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 47 I 8.35 4.03 1.79 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 1.17 0.21 0.89 0.00 0.00 48 T 8.57 4.17 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 1.56 0.00 0.00 49 L 9.14 4.35 0.00 1.63 0.49 0.95 0.09 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 I 7.55 4.98 2.20 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.31 1.31 0.00 0.00 51 S 8.97 5.36 0.00 4.11 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 52 S 8.77 4.51 0.00 3.83 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 53 E 8.10 4.45 0.00 1.99 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 2.26 2.38 0.00 54 G 8.71 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 55 Y 7.92 4.82 0.00 2.99 2.83 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 56 V 7.36 4.32 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 0.69 0.00 0.00 1.01 0.00 0.00 57 S 8.07 3.99 0.00 4.06 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 58 S 8.91 3.64 0.00 4.06 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 59 K 8.11 4.22 0.00 1.88 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.10 7.81 60 Y 7.56 5.00 0.00 3.14 2.99 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 61 A 8.24 3.94 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 62 G 9.26 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 63 R 8.52 4.60 0.00 1.71 2.07 0.00 2.83 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.32 0.00 64 A 7.56 4.84 0.71 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 0.00 0.00 65 N 8.88 4.95 0.00 2.76 2.54 0.00 0.00 6.93 6.46 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 66 L 8.49 5.26 0.00 1.71 1.52 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 T 9.06 4.55 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 0.59 0.00 0.00 68 N 8.44 5.24 0.00 2.62 2.57 0.00 0.00 6.88 7.02 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 69 F 9.48 4.83 0.00 3.07 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 70 P 0.00 4.43 0.00 2.24 2.19 0.00 3.98 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 2.16 2.31 0.00 71 E 8.56 4.07 0.00 1.98 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 2.24 1.90 0.00 72 N 8.00 4.92 0.00 2.77 2.84 0.00 0.00 6.15 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.05 3.26 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 0.00 0.00 0.00 74 T 7.52 4.84 3.54 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 0.38 0.00 0.00 75 F 8.46 5.41 0.00 3.24 3.10 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 76 V 9.25 4.74 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 0.94 0.00 0.00 0.95 0.00 0.00 77 V 8.43 4.60 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 0.10 0.00 0.00 0.83 0.00 0.00 78 N 9.14 5.25 0.00 2.53 2.58 0.00 0.00 6.33 7.25 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 79 I 8.72 4.67 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.48 0.63 0.00 0.00 80 A 8.69 5.03 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 0.00 0.00 0.00 0.00 0.00 81 Q 8.29 3.22 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 82 L 8.03 4.44 0.00 1.76 1.59 0.93 0.66 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 83 S 9.17 4.65 0.00 3.96 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 84 Q 8.98 4.15 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.87 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 85 D 7.74 4.40 0.00 2.75 2.78 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 86 D 8.20 4.74 0.00 2.94 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 87 S 8.29 4.48 0.00 4.05 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 88 G 8.21 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 89 R 7.51 5.12 0.00 1.64 1.78 0.00 3.03 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 90 Y 9.31 4.90 0.00 2.16 1.62 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 91 K 8.87 5.91 0.00 1.77 1.84 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.27 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.64 1.24 7.81 92 C 9.06 5.66 0.00 3.32 3.69 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 93 G 7.62 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 0.00 0.00 0.00 0.00 94 L 8.19 5.01 0.00 1.49 1.41 0.54 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.81 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 0.00 0.00 0.00 96 I 8.35 3.62 1.84 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 1.31 0.81 0.88 0.00 0.00 97 N 8.52 3.24 0.00 2.42 2.71 0.00 0.00 6.94 7.63 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 98 S 7.84 4.71 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 99 R 8.77 4.09 0.00 1.72 1.97 0.00 3.33 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 100 G 7.75 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 0.00 101 L 7.49 4.48 0.00 2.01 1.75 0.96 0.68 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 0.00 102 S 7.35 5.92 0.00 4.17 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 0.00 103 F 8.49 4.74 0.00 3.44 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 0.00 104 D 8.10 5.15 0.00 2.37 2.52 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 0.00 0.00 0.00 105 V 9.12 4.78 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 1.08 0.00 0.00 1.38 0.00 0.00 106 S 9.13 5.25 0.00 4.02 3.85 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 0.00 107 L 9.40 5.21 0.00 1.89 1.88 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 E 9.49 4.88 0.00 2.11 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 2.22 2.29 0.00 109 V 8.54 4.66 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 0.90 0.00 0.00 1.00 0.00 0.00 110 L 9.18 4.27 0.00 1.70 1.59 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.67 4.53 0.00 2.00 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 2.44 2.49 0.00 112 H 9.86 4.26 0.00 3.22 3.15 0.00 5.84 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.