NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6399 8.4129 118.1056 57.2854 43.2499 172.7021 2 E 4.8372 8.7018 119.6711 54.6584 31.3525 168.7909 3 E 4.3427 9.6843 115.7158 58.1487 30.7893 175.5133 4 P 3.8414 0.0000 0.0000 61.4202 31.9922 174.6266 5 P 4.3712 0.0000 0.0000 63.2486 31.8356 176.0515 6 T 4.7260 7.9352 110.0592 60.3937 70.7545 173.4716 7 F 4.6536 8.3691 122.3719 56.6721 43.0811 175.2415 8 E 4.2747 8.8981 116.1350 56.8522 30.3399 175.8708 9 A 3.8016 7.8035 118.0112 52.2701 21.5921 176.3835 10 M 5.1651 7.7581 111.5040 53.5215 34.5453 174.7909 11 E 4.8896 8.9302 119.4897 54.3007 33.2581 174.5660 12 L 4.2311 8.4904 121.0307 54.9322 43.2696 176.0844 13 I 4.1155 8.0569 124.9969 62.0392 38.3247 176.0869 14 G 3.7345 8.8018 117.5970 44.4518 0.0000 172.5311 15 K 4.0402 8.1889 119.9420 53.9120 32.1356 170.8648 16 P 4.6554 0.0000 0.0000 60.7121 30.9020 175.8974 17 K 4.0937 8.9558 125.9479 54.9571 32.8397 175.3882 18 P 4.5812 0.0000 0.0000 65.2907 31.5720 177.1785 *19 Y 5.5045 7.1785 116.2626 55.0191 40.4502 176.6184 20 Y 4.7131 8.6744 122.0562 55.9167 40.9987 173.7418 21 E 4.6677 8.5157 121.6653 56.0725 32.2094 177.1401 22 I 4.9089 8.0063 114.1624 58.3366 37.8234 174.1074 23 G 3.9601 8.2014 116.7852 45.5310 0.0000 171.6140 24 E 4.5473 8.3068 124.6841 54.4175 30.9128 175.0954 25 R 4.9939 8.5571 128.6792 56.3026 29.7555 174.9366 26 V 4.0576 8.1568 124.3583 59.4046 33.6942 171.4362 27 D 4.8716 8.2354 123.5218 52.3327 43.6267 174.9169 28 Y 5.2300 8.2439 118.0632 56.0741 41.0606 175.2308 29 K 4.7483 8.6425 120.0467 54.9507 36.4610 174.7714 30 C 4.8678 8.7326 118.9008 56.8643 41.7346 174.0184 31 K 4.5263 9.1883 123.0385 55.6911 33.2544 176.5043 32 K 3.8774 8.7197 122.7502 58.7435 32.4346 176.8304 33 G 4.0557 9.4113 114.0903 44.9890 0.0000 172.0524 34 Y 5.5382 8.0988 116.4755 56.1830 41.1645 175.1028 35 F 5.2563 9.4386 115.8623 55.4486 41.9618 172.9272 36 Y 5.0585 8.7734 121.0846 56.8713 40.5811 174.0773 37 I 4.3431 7.4067 125.8503 58.5223 40.3968 173.8783 38 P 4.2603 0.0000 0.0000 61.7638 31.7460 174.1010 39 P 4.7718 0.0000 0.0000 62.4066 31.4180 175.0031 40 L 4.0317 7.7163 118.8590 55.2228 41.9722 175.9693 41 A 4.5177 8.2209 122.3153 51.7071 20.0777 177.2963 42 T 4.3586 8.3874 110.9652 62.2627 70.4734 174.1043 43 H 5.5143 7.7951 115.4566 53.7444 31.8490 172.8624 44 T 4.8744 8.4830 110.5337 60.8989 72.9663 173.1055 45 I 4.9604 8.3675 120.8185 59.0833 39.7227 175.8649 46 C 4.2644 8.8542 124.1520 56.8304 41.9829 173.7201 47 D 4.8634 8.4165 127.9571 52.5403 41.0917 176.1108 48 R 4.0125 8.7656 113.8180 61.3995 28.9887 174.9647 49 N 4.4339 8.2767 114.4434 54.4451 38.4401 174.9955 *50 H 3.9381 8.0675 114.2210 55.5019 25.5859 179.5254 51 T 4.5915 6.9150 107.8715 59.9478 71.9900 172.6199 52 W 4.9904 8.6299 125.1643 56.7649 29.8495 177.0785 53 L 4.3406 8.6188 127.0550 54.3654 41.2885 172.0087 54 P 4.6408 0.0000 0.0000 64.3895 31.9613 177.2059 55 V 4.2732 7.9694 119.6301 60.9362 33.8423 172.6591 56 S 4.8986 8.2980 118.2256 56.4269 66.0823 173.5045 57 D 4.3269 8.5514 121.9986 53.4818 39.1592 176.5947 58 D 4.3390 7.5488 118.0986 56.1191 42.4284 178.2726 59 A 3.8537 7.6513 120.6369 54.1428 19.7195 177.5058 60 C 4.8293 7.7869 112.5840 56.2141 40.4292 173.3729 61 Y 4.5520 8.3697 122.3463 56.8496 39.6398 175.0382 62 R 4.2332 8.5301 121.5319 55.2458 31.1199 175.6740 63 E 4.3898 9.0575 127.2615 56.8182 30.8141 176.2333 64 T 4.7161 8.4883 116.4661 60.7768 71.4798 173.9762 65 C 4.8908 9.0663 119.4715 54.2689 42.4399 172.7458 66 P 4.6486 0.0000 0.0000 62.6676 31.5991 176.0517 67 Y 4.9409 8.8694 122.2429 58.2338 39.2301 175.6533 68 I 3.9650 7.4340 127.1855 58.8923 38.3769 175.5604 69 R 3.6877 7.8805 125.9768 55.5917 30.5936 175.9254 70 D 4.4344 8.6050 123.6334 54.0903 41.4384 175.0407 71 P 4.2125 0.0000 0.0000 62.1952 31.9863 175.5336 72 L 3.9739 8.2252 123.4904 56.7374 42.5078 176.7670 73 N 4.0904 8.9789 121.2440 53.4470 36.6104 173.2912 74 G 4.3386 7.6718 107.0857 45.9254 0.0000 172.2897 75 Q 4.5427 8.3648 119.4076 55.3414 33.4384 174.0220 76 A 4.3546 8.8970 129.6196 50.6737 20.1151 176.6446 77 V 4.2768 8.1287 116.6878 59.0976 34.3899 174.0312 78 P 4.5005 0.0000 0.0000 62.2852 31.5810 177.0302 79 A 4.7177 8.1432 126.2398 48.7970 17.0113 174.4755 80 N 4.3803 8.1477 132.4035 54.9359 40.3341 175.8470 *82 T 4.0096 7.2926 108.5576 59.1521 71.0806 175.2937 83 Y 4.8260 7.2404 127.2759 55.9359 39.1425 174.9029 84 E 4.7095 8.7975 123.8313 56.2318 30.6331 176.6018 85 F 4.6282 7.9278 115.6429 57.0379 39.1058 176.4337 86 G 3.6651 9.7550 108.8202 45.0137 0.0000 172.6845 87 Y 5.1191 7.4732 115.9392 56.3804 42.2227 174.4689 88 Q 5.3978 8.8951 119.0002 54.7994 32.5445 174.1447 89 M 4.7111 8.6522 119.8017 54.0174 35.2543 173.5982 90 H 5.1521 8.6581 125.3287 54.3687 32.7937 172.9202 91 F 5.2809 8.7148 122.9710 55.7739 41.6256 174.7319 92 I 4.7467 8.6325 123.5041 59.7509 41.1618 173.5797 93 C 4.8525 8.7906 123.5076 55.2632 40.3292 173.4979 94 N 4.5951 8.5665 120.6015 53.1195 39.6834 174.1980 95 E 4.1777 8.7154 121.1437 58.0146 30.0978 177.4250 96 G 3.8851 9.2563 113.3397 45.2262 0.0000 172.4871 97 Y 5.3356 7.8011 116.1019 56.2614 41.8314 174.4286 98 Y 5.0214 9.0847 119.1090 55.1432 41.8093 174.2213 99 L 4.8273 8.5987 122.7734 54.3662 43.4053 175.7325 100 I 4.1551 8.2702 118.4255 60.3612 40.0132 173.0773 101 G 3.5369 8.7883 116.5454 45.4746 0.0000 167.3601 102 E 3.6368 8.1799 124.3575 56.4224 26.3128 174.0864 103 E 4.5221 8.3591 120.4219 56.7204 31.0998 175.9856 104 I 5.6154 7.3324 120.1632 59.0045 41.4010 174.3117 105 L 4.7155 8.3200 125.3082 53.0555 45.2436 175.1717 106 Y 4.8576 8.3807 121.8079 57.9846 39.7598 174.2410 107 C 4.6765 9.1321 124.8930 55.3242 42.3600 172.5547 108 E 4.6640 8.5987 124.7096 54.6188 31.8986 175.1787 109 L 4.1038 7.9748 123.1922 53.5319 41.6912 176.2590 110 K 4.2931 8.4088 127.9248 56.0154 33.3147 177.5985 111 G 4.0298 8.2376 116.9347 46.3163 0.0000 174.6057 112 S 4.5214 8.7828 120.8871 57.9092 63.8503 173.6055 113 V 4.4904 7.4276 118.4981 59.9010 33.5006 173.8313 114 A 4.8439 8.4401 128.1373 50.5476 20.3601 176.3295 115 I 4.6174 7.9906 115.4812 58.8984 41.8849 174.1313 116 W 4.9535 8.5950 122.7866 56.0816 29.4948 176.5280 117 S 4.3241 9.7795 121.0379 61.5776 62.4625 173.9434 118 G 4.3965 7.8850 106.5142 44.0890 0.0000 170.6888 119 K 4.5579 8.4664 120.9584 53.5375 33.8848 175.2500 120 P 3.5098 0.0000 0.0000 62.5626 31.6504 174.3547 121 P 4.4019 0.0000 0.0000 62.0508 33.0236 175.0651 122 I 4.4657 7.7749 119.5388 59.8532 40.8017 174.6260 123 C 5.2433 8.5328 121.5973 55.3890 43.2103 173.0494 124 E 4.7872 8.8675 128.1351 54.7030 31.7780 177.2122 125 K 3.9449 8.8741 123.9560 54.2599 31.9090 178.2761 126 V 3.6033 8.1627 124.1230 64.4539 32.3640 171.8957 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 1 C 8.41 4.64 0.00 2.53 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 2 E 8.70 4.84 0.00 2.06 1.77 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 0.00 2.19 1.96 0.00 3 E 9.68 4.34 0.00 2.19 2.06 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 2.49 2.55 0.00 4 P 0.00 3.84 0.00 1.74 0.98 0.00 3.79 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.31 0.00 5 P 0.00 4.37 0.00 2.12 1.83 0.00 3.54 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 6 T 7.94 4.73 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 1.23 0.00 0.00 7 F 8.37 4.65 0.00 2.89 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 8 E 8.90 4.27 0.00 1.98 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 2.18 1.86 0.00 9 A 7.80 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.76 5.17 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 11 E 8.93 4.89 0.00 2.09 2.17 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 2.22 2.25 0.00 12 L 8.49 4.23 0.00 1.59 1.56 0.44 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.06 4.12 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.86 0.00 0.00 14 G 8.80 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 15 K 8.19 4.04 0.00 1.79 1.62 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 16 P 0.00 4.66 0.00 2.07 2.10 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 17 K 8.96 4.09 0.00 1.32 0.74 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.16 7.81 18 P 0.00 4.58 0.00 2.02 2.06 0.00 3.56 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 *19 Y 7.18 5.50 0.00 2.03 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 0.00 0.00 0.00 20 Y 8.67 4.71 0.00 2.96 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 21 E 8.52 4.67 0.00 2.15 1.88 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 2.27 2.32 0.00 22 I 8.01 4.91 1.85 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 1.25 1.62 0.93 0.00 0.00 23 G 8.20 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.55 0.00 2.03 1.99 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 2.29 2.35 0.00 25 R 8.56 4.99 0.00 1.64 1.73 0.00 3.20 0.00 0.00 3.92 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.04 0.00 26 V 8.16 4.06 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 0.71 0.00 0.00 0.93 0.00 0.00 27 D 8.24 4.87 0.00 2.51 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 0.00 0.00 0.00 0.00 28 Y 8.24 5.23 0.00 2.79 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 29 K 8.64 4.75 0.00 1.78 1.84 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 C 8.73 4.87 0.00 3.01 3.22 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 31 K 9.19 4.53 0.00 1.73 1.83 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.38 7.81 32 K 8.72 3.88 0.00 1.76 1.82 0.00 1.75 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 33 G 9.41 4.06 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 0.00 0.00 0.00 34 Y 8.10 5.54 0.00 3.02 3.03 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 35 F 9.44 5.26 0.00 3.23 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 36 Y 8.77 5.06 0.00 3.12 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 37 I 7.41 4.34 1.83 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.48 0.76 0.00 0.00 38 P 0.00 4.26 0.00 2.01 2.06 0.00 3.58 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 39 P 0.00 4.77 0.00 2.14 2.13 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 40 L 7.72 4.03 0.00 1.59 1.66 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.22 4.52 1.19 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 42 T 8.39 4.36 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 0.93 0.00 0.00 43 H 7.80 5.51 0.00 3.12 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.48 4.87 4.36 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 1.28 0.00 0.00 45 I 8.37 4.96 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 1.23 0.81 0.91 0.00 0.00 46 C 8.85 4.26 0.00 2.12 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 47 D 8.42 4.86 0.00 2.67 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 48 R 8.77 4.01 0.00 1.72 2.00 0.00 3.22 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.25 0.00 49 N 8.28 4.43 0.00 2.67 2.87 0.00 0.00 6.77 8.16 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 *50 H 8.07 3.94 0.00 3.09 3.00 0.00 7.15 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 6.92 4.59 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 52 W 8.63 4.99 0.00 3.26 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 53 L 8.62 4.34 0.00 1.47 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.64 0.00 1.96 2.04 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 55 V 7.97 4.27 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 0.91 0.00 0.00 0.59 0.00 0.00 56 S 8.30 4.90 0.00 4.07 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 57 D 8.55 4.33 0.00 2.56 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 58 D 7.55 4.34 0.00 2.52 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 59 A 7.65 3.85 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 60 C 7.79 4.83 0.00 2.67 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 61 Y 8.37 4.55 0.00 2.41 2.72 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 62 R 8.53 4.23 0.00 1.66 1.90 0.00 2.83 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.82 0.00 63 E 9.06 4.39 0.00 2.25 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 0.00 2.37 2.25 0.00 64 T 8.49 4.72 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 1.37 0.00 0.00 65 C 9.07 4.89 0.00 2.37 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 0.00 0.00 0.00 0.00 66 P 0.00 4.65 0.00 2.28 2.15 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 67 Y 8.87 4.94 0.00 3.06 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 68 I 7.43 3.96 1.20 0.00 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.45 0.66 0.00 0.00 69 R 7.88 3.69 0.00 1.68 1.76 0.00 3.34 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 70 D 8.60 4.43 0.00 2.70 2.61 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 71 P 0.00 4.21 0.00 2.11 1.85 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 72 L 8.23 3.97 0.00 1.50 1.48 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.98 4.09 0.00 2.32 1.42 0.00 0.00 6.77 7.67 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 74 G 7.67 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 75 Q 8.36 4.54 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 76 A 8.90 4.35 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 77 V 8.13 4.28 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 0.67 0.00 0.00 0.88 0.00 0.00 78 P 0.00 4.50 0.00 2.05 2.30 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.56 0.00 79 A 8.14 4.72 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 80 N 8.15 4.38 0.00 2.88 3.10 0.00 0.00 7.15 7.70 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 *82 T 7.29 4.01 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 83 Y 7.24 4.83 0.00 3.12 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 84 E 8.80 4.71 0.00 2.04 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 2.37 2.36 0.00 85 F 7.93 4.63 0.00 3.06 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 86 G 9.75 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 0.00 0.00 0.00 87 Y 7.47 5.12 0.00 3.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.90 5.40 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 89 M 8.65 4.71 0.00 1.43 1.16 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.40 0.00 90 H 8.66 5.15 0.00 3.13 3.03 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.71 5.28 0.00 2.81 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 92 I 8.63 4.75 1.90 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 1.30 0.82 0.96 0.00 0.00 93 C 8.79 4.85 0.00 2.92 3.19 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 94 N 8.57 4.60 0.00 2.88 2.86 0.00 0.00 6.33 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 95 E 8.72 4.18 0.00 1.97 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 2.31 2.34 0.00 96 G 9.26 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 0.00 0.00 0.00 97 Y 7.80 5.34 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 98 Y 9.08 5.02 0.00 3.01 2.95 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 99 L 8.60 4.83 0.00 1.67 1.60 0.90 0.91 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 0.00 100 I 8.27 4.16 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 0.99 0.49 0.64 0.00 0.00 101 G 8.79 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 0.00 0.00 0.00 0.00 102 E 8.18 3.64 0.00 2.02 2.06 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 2.13 2.22 0.00 103 E 8.36 4.52 0.00 2.20 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 0.00 2.32 2.26 0.00 104 I 7.33 5.62 1.71 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.05 0.45 0.00 0.00 105 L 8.32 4.72 0.00 1.45 1.66 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.38 4.86 0.00 3.06 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 0.00 107 C 9.13 4.68 0.00 1.55 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 0.00 108 E 8.60 4.66 0.00 1.87 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 2.24 2.29 0.00 109 L 7.97 4.10 0.00 0.27 0.77 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.41 4.29 0.00 1.75 1.67 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.45 7.81 111 G 8.24 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 0.00 112 S 8.78 4.52 0.00 3.84 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 0.00 113 V 7.43 4.49 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 1.18 0.00 0.00 0.89 0.00 0.00 114 A 8.44 4.84 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 0.00 115 I 7.99 4.62 1.87 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 1.14 1.14 0.87 0.00 0.00 116 W 8.59 4.95 0.00 3.21 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 0.00 117 S 9.78 4.32 0.00 3.98 4.45 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 0.00 118 G 7.88 4.40 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 0.00 119 K 8.47 4.56 0.00 1.66 1.62 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.21 1.36 7.81 120 P 0.00 3.51 0.00 1.82 1.70 0.00 3.59 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 121 P 0.00 4.40 0.00 1.53 1.94 0.00 2.20 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.73 0.00 122 I 7.77 4.47 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.23 0.78 0.00 0.00 123 C 8.53 5.24 0.00 2.86 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 0.00 124 E 8.87 4.79 0.00 1.65 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 2.31 2.42 0.00 125 K 8.87 3.94 0.00 1.82 1.68 0.00 2.01 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 0.99 7.81 126 V 8.16 3.60 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 1.13 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.