NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5163 8.3344 116.7960 58.4085 65.2012 173.5963 2 N 4.7933 7.7781 115.0163 53.7431 44.2838 174.4599 3 I 3.6407 8.6936 119.3921 63.6611 39.2701 175.2907 4 I 3.9338 7.3712 119.2414 61.9051 37.0373 173.1854 5 K 3.9590 7.9174 123.7116 57.0153 32.0918 177.1803 6 Q 3.8834 7.9972 117.6017 59.6067 29.0029 179.6434 7 L 4.0080 7.6553 119.7449 57.8514 42.2972 178.4178 8 E 4.1919 7.9101 118.0484 59.1031 29.9355 178.7432 9 Q 3.5986 8.7817 118.4554 58.9613 28.4210 177.8448 10 E 4.0822 7.6250 116.6345 58.0347 29.5081 177.2216 11 Q 4.5502 8.5947 117.9690 55.8368 30.4778 175.7016 12 M 4.2329 7.7658 118.2351 54.3824 32.7821 176.5154 13 K 4.4184 8.8050 121.6197 56.7367 33.0614 177.8112 14 Q 4.5945 7.9607 118.5107 53.1855 28.6698 174.2854 15 D 5.4690 8.3007 135.0000 54.2416 39.7377 177.6116 16 V 3.4893 7.8739 114.0839 61.2840 31.4044 174.2537 17 P 4.5554 0.0000 0.0000 62.0273 32.5075 175.1593 18 S 4.5044 8.3819 113.2453 56.8883 65.5070 172.0858 19 F 4.4935 7.3851 117.9338 55.3339 37.2662 178.5197 20 R 4.1672 9.6905 119.7569 54.6029 30.6925 171.5872 21 P 4.5736 0.0000 0.0000 64.5717 31.7202 174.6803 22 G 4.2716 9.0018 112.3045 46.4623 0.0000 174.4162 23 D 4.6092 7.9202 119.4589 54.9527 41.6157 177.8256 24 T 3.9010 8.9360 119.3083 65.4693 68.7952 174.8472 25 V 3.6676 9.3054 120.3320 60.7576 32.3701 171.1427 26 E 4.9495 8.3530 123.1444 54.2685 32.3110 174.3428 27 V 4.0859 8.8194 128.3931 61.9476 33.4332 174.6719 28 K 4.8149 8.6983 127.8399 55.2396 33.9581 175.7903 29 V 4.6307 8.7436 124.8088 60.4821 34.6462 174.8116 30 W 4.9004 8.8835 128.5437 57.3213 29.7191 175.9522 31 V 4.6459 9.1371 121.9651 60.3466 34.8804 174.1012 32 V 4.3675 8.4010 122.9120 61.9696 32.8980 175.9256 33 E 4.3494 10.0171 127.7063 56.9791 28.9612 177.2185 34 G 3.9961 9.2587 101.6891 46.6122 0.0000 174.1903 35 S 4.5852 7.9253 111.1947 57.0872 65.0348 173.3268 36 K 4.7078 7.7967 119.6851 54.6538 34.8650 175.5910 37 K 5.8574 8.3704 116.9694 55.8619 32.3034 175.2783 38 R 5.0483 8.0811 124.9601 55.6966 33.3300 175.3673 39 L 4.7873 8.1402 118.2099 53.7844 43.0466 176.3477 40 Q 4.7026 9.1290 123.9356 54.4668 31.9741 173.6840 41 A 5.1770 8.4597 125.1207 50.1269 21.2467 175.7018 42 F 4.7308 9.4489 125.4475 56.2943 42.1479 173.5424 43 E 5.0661 8.5073 126.2293 54.0352 32.7641 174.7897 44 G 4.4856 7.5725 110.5827 46.4983 0.0000 171.5773 45 V 4.3671 7.6232 119.5815 61.4979 33.2488 175.6626 46 V 4.2714 8.5823 128.8283 63.5275 32.2813 175.8683 47 I 4.5746 9.0534 120.0774 60.4391 39.1535 174.5869 48 A 4.8223 7.6959 122.7579 51.5977 22.4714 175.3698 49 I 5.0512 8.1465 119.5863 59.9955 40.8455 175.5649 50 R 3.9006 9.2211 124.6573 59.1383 29.5979 176.2508 51 N 4.1121 8.3299 124.4068 52.7905 35.6653 174.9882 52 R 4.4895 8.2595 124.6165 55.2185 32.6157 175.5474 53 G 4.0051 7.8158 108.8491 46.2029 0.0000 173.9133 54 L 3.5555 8.2524 119.4323 58.1738 42.1936 178.5828 55 H 4.8726 7.8034 113.4873 55.3937 29.3975 175.3398 56 S 4.5083 9.7362 115.9468 58.7632 64.3037 173.2800 57 A 5.5155 8.4923 122.5440 51.1564 23.3878 173.9069 58 F 5.3025 8.4491 112.1690 56.7521 42.1336 173.8341 59 T 4.8840 8.9263 114.9198 61.9861 71.5541 173.1970 60 V 4.7853 8.6840 127.7559 61.6671 33.3448 174.9104 61 R 4.7680 9.0563 128.6938 55.5011 31.4679 176.2607 62 K 4.0046 8.1512 123.6471 55.9481 34.6469 176.2912 63 I 3.3434 7.6642 117.5772 62.3667 34.2007 173.4330 64 S 4.1691 8.0049 114.1463 57.9463 63.5032 173.2259 65 N 3.9850 7.8982 122.5620 55.4716 37.7833 173.2690 66 G 4.1511 9.1443 113.2163 44.3912 0.0000 174.0585 67 E 4.7900 9.0746 125.7020 54.6145 33.2229 174.1916 68 G 4.1456 8.7374 105.1685 45.8952 0.0000 174.4555 69 V 4.5056 8.1790 120.3268 59.7630 34.0490 174.2830 70 E 4.7520 8.8458 125.4069 55.9630 30.8071 176.4258 71 R 4.1908 8.8172 123.0813 54.4986 33.3852 174.1281 72 V 4.3947 7.9610 119.7766 59.9692 32.7600 175.5754 73 F 4.2286 8.2839 125.4328 56.7927 40.7898 175.6621 74 Q 4.5049 8.5633 122.2642 54.5523 28.3913 176.5191 75 T 4.2627 8.7003 115.4336 64.1452 68.8695 175.0751 76 H 4.7785 8.0637 117.1579 55.3329 29.6709 174.8389 77 S 4.3207 8.4874 116.4071 57.5337 62.7531 173.3612 78 P 4.4276 0.0000 0.0000 65.6762 31.4196 178.3265 79 V 3.8991 8.2414 111.7757 63.8665 31.0554 177.6311 80 V 3.6675 7.0796 120.3534 62.1179 32.0708 175.6012 81 D 5.2265 9.1783 124.0574 53.8304 40.8563 174.6094 82 S 4.6693 7.3227 110.9237 56.8010 66.3519 172.5519 83 I 4.5252 8.0595 126.1625 60.0446 40.5552 173.5375 84 S 4.7369 8.5378 124.3269 56.6027 65.5170 174.9967 85 V 3.0427 8.4671 125.9569 64.9589 31.8722 176.4513 86 K 4.1044 8.6926 123.0929 54.4588 30.6447 175.7393 87 R 4.6940 7.4779 116.7815 54.6966 34.3462 174.6519 88 R 4.8108 8.4299 122.3837 54.5798 32.2782 174.6983 89 G 4.0682 9.1246 113.5917 45.1514 0.0000 171.2730 90 A 4.7799 8.5662 121.3014 50.3741 20.2724 176.4169 91 V 4.1636 8.5171 113.5078 60.7126 34.1686 176.8961 92 R 3.3839 8.2113 107.4206 58.2754 27.2656 173.2395 93 K 4.5478 7.5510 125.0507 55.2814 33.6622 174.2999 94 A 4.5095 8.2036 128.0008 51.8984 20.8618 176.5506 95 K 4.2980 7.7378 116.0063 54.6582 34.4559 175.9422 96 L 4.1897 8.2411 129.8652 55.1062 41.8741 178.3790 97 Y 4.4714 7.3587 117.5057 60.4684 38.1350 176.8282 98 Y 4.3582 7.6202 118.4259 59.4439 38.2983 177.6477 99 L 4.0395 7.1402 120.8724 57.6649 41.3675 179.3539 100 R 4.0810 7.7320 117.0167 58.0538 30.1309 176.9025 101 E 4.7930 8.1115 118.1382 56.4992 30.3094 176.9486 102 R 4.2262 7.8795 117.5999 57.0451 32.1856 174.9593 103 T 3.0074 8.2739 115.2048 62.2520 65.4881 171.3993 104 G 3.3705 9.1198 115.5784 47.6717 0.0000 174.8452 105 K 3.5056 7.8384 113.0476 58.1048 33.5881 176.3287 106 A 4.0885 7.8882 128.2563 54.3991 18.8406 177.9105 107 A 4.6822 7.8393 116.9984 51.7078 19.9497 177.1016 108 R 4.2506 7.6563 115.0648 55.9461 30.7539 176.2833 109 I 4.6109 7.8628 112.1850 58.8722 40.3923 175.0612 110 K 3.9655 8.8247 123.9426 56.9376 31.8583 176.0510 111 E 4.5283 8.7154 122.2675 56.4808 30.2763 177.8995 112 R 3.9621 10.0399 124.0517 57.4431 30.8915 176.8894 113 L 3.4762 7.4812 109.1947 56.9380 39.0119 174.2490 114 N 4.2288 8.1173 122.4232 53.9480 36.5701 174.9423 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 S 8.33 4.52 0.00 3.88 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 2 N 7.78 4.79 0.00 2.82 2.71 0.00 0.00 6.88 6.93 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 3 I 8.69 3.64 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 1.41 1.46 0.91 0.00 0.00 4 I 7.37 3.93 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.93 0.00 0.00 5 K 7.92 3.96 0.00 2.02 1.82 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.46 7.81 6 Q 8.00 3.88 0.00 2.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 7 L 7.66 4.01 0.00 1.89 1.68 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.91 4.19 0.00 2.10 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 2.33 2.40 0.00 9 Q 8.78 3.60 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.36 0.00 10 E 7.62 4.08 0.00 2.22 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 0.00 2.46 2.29 0.00 11 Q 8.59 4.55 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 12 M 7.77 4.23 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.33 0.00 13 K 8.80 4.42 0.00 1.81 1.79 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.27 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.53 1.58 7.81 14 Q 7.96 4.59 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.15 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 15 D 8.30 5.47 0.00 2.88 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 16 V 7.87 3.49 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 0.77 0.00 0.00 0.95 0.00 0.00 17 P 0.00 4.56 0.00 2.22 2.11 0.00 3.84 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 2.15 2.29 0.00 18 S 8.38 4.50 0.00 3.87 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 19 F 7.39 4.49 0.00 3.02 2.27 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 0.00 20 R 9.69 4.17 0.00 1.86 2.17 0.00 3.17 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 21 P 0.00 4.57 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 22 G 9.00 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 0.00 0.00 0.00 0.00 23 D 7.92 4.61 0.00 2.94 2.65 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 24 T 8.94 3.90 4.37 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 1.19 0.00 0.00 25 V 9.31 3.67 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 0.76 0.00 0.00 0.63 0.00 0.00 26 E 8.35 4.95 0.00 1.99 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 2.20 2.23 0.00 27 V 8.82 4.09 1.53 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 0.43 0.00 0.00 0.50 0.00 0.00 28 K 8.70 4.81 0.00 1.58 1.47 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 1.27 7.81 29 V 8.74 4.63 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 1.11 0.00 0.00 1.01 0.00 0.00 30 W 8.88 4.90 0.00 3.43 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 31 V 9.14 4.65 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 0.91 0.00 0.00 1.00 0.00 0.00 32 V 8.40 4.37 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 0.80 0.00 0.00 0.93 0.00 0.00 33 E 10.02 4.35 0.00 2.00 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 2.36 2.34 0.00 34 G 9.26 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 35 S 7.93 4.59 0.00 3.82 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 36 K 7.80 4.71 0.00 1.87 1.76 0.00 1.55 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.46 7.81 37 K 8.37 5.86 0.00 1.77 1.76 0.00 1.16 0.00 0.00 2.45 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.15 1.07 7.81 38 R 8.08 5.05 0.00 1.97 2.24 0.00 3.14 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 39 L 8.14 4.79 0.00 1.20 1.11 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.13 4.70 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 41 A 8.46 5.18 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 42 F 9.45 4.73 0.00 3.19 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 43 E 8.51 5.07 0.00 1.91 1.64 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 2.12 2.25 0.00 44 G 7.57 4.49 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 0.00 0.00 0.00 45 V 7.62 4.37 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 0.94 0.00 0.00 46 V 8.58 4.27 2.14 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 1.09 0.00 0.00 0.94 0.00 0.00 47 I 9.05 4.57 1.76 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 1.35 0.87 0.96 0.00 0.00 48 A 7.70 4.82 1.27 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 0.00 0.00 0.00 49 I 8.15 5.05 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.72 1.01 0.00 0.00 50 R 9.22 3.90 0.00 1.89 2.14 0.00 3.35 0.00 0.00 3.38 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 51 N 8.33 4.11 0.00 2.90 2.90 0.00 0.00 6.74 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 52 R 8.26 4.49 0.00 1.88 1.89 0.00 3.32 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 53 G 7.82 4.01 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 0.00 0.00 0.00 54 L 8.25 3.56 0.00 1.45 1.48 0.85 0.85 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 55 H 7.80 4.87 0.00 3.40 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 9.74 4.51 0.00 4.04 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 57 A 8.49 5.52 1.35 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 0.00 0.00 0.00 58 F 8.45 5.30 0.00 3.47 3.36 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 0.00 59 T 8.93 4.88 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 1.25 0.00 0.00 60 V 8.68 4.79 2.66 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 1.20 0.00 0.00 1.44 0.00 0.00 61 R 9.06 4.77 0.00 2.08 1.80 0.00 3.26 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 62 K 8.15 4.00 0.00 1.65 1.70 0.00 0.94 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.12 1.17 7.81 63 I 7.66 3.34 1.86 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 0.55 0.91 0.00 0.00 64 S 8.00 4.17 0.00 3.77 3.74 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 65 N 7.90 3.98 0.00 2.88 2.79 0.00 0.00 6.27 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 66 G 9.14 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 0.00 0.00 0.00 0.00 67 E 9.07 4.79 0.00 1.92 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 2.18 2.34 0.00 68 G 8.74 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 0.00 0.00 0.00 0.00 69 V 8.18 4.51 2.14 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 0.91 0.00 0.00 1.09 0.00 0.00 70 E 8.85 4.75 0.00 1.88 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 2.36 2.34 0.00 71 R 8.82 4.19 0.00 1.13 0.66 0.00 2.38 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.00 72 V 7.96 4.39 1.95 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 0.70 0.00 0.00 0.78 0.00 0.00 73 F 8.28 4.23 0.00 1.68 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 74 Q 8.56 4.50 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 75 T 8.70 4.26 4.70 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 1.67 0.00 0.00 76 H 8.06 4.78 0.00 3.21 3.40 0.00 5.71 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.49 4.32 0.00 3.85 3.91 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 78 P 0.00 4.43 0.00 2.12 2.15 0.00 3.79 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 2.06 2.15 0.00 79 V 8.24 3.90 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 0.73 0.00 0.00 1.03 0.00 0.00 80 V 7.08 3.67 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 0.72 0.00 0.00 0.92 0.00 0.00 81 D 9.18 5.23 0.00 2.96 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 82 S 7.32 4.67 0.00 3.88 3.48 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 83 I 8.06 4.53 1.75 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.45 0.89 0.00 0.00 84 S 8.54 4.74 0.00 3.78 3.55 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 85 V 8.47 3.04 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 0.73 0.00 0.00 0.96 0.00 0.00 86 K 8.69 4.10 0.00 1.92 1.93 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.31 7.81 87 R 7.48 4.69 0.00 1.83 1.71 0.00 3.11 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 88 R 8.43 4.81 0.00 1.87 1.76 0.00 3.22 0.00 0.00 3.34 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 89 G 9.12 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 90 A 8.57 4.78 1.24 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 0.00 0.00 0.00 91 V 8.52 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 0.86 0.00 0.00 0.97 0.00 0.00 92 R 8.21 3.38 0.00 2.00 2.12 0.00 3.08 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 93 K 7.55 4.55 0.00 1.95 2.00 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.29 7.81 94 A 8.20 4.51 1.26 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 95 K 7.74 4.30 0.00 1.51 1.14 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.89 0.93 7.81 96 L 8.24 4.19 0.00 1.66 1.33 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.36 4.47 0.00 3.07 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 98 Y 7.62 4.36 0.00 3.20 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 99 L 7.14 4.04 0.00 1.70 1.69 0.70 1.08 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 0.00 100 R 7.73 4.08 0.00 1.95 2.03 0.00 3.42 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 101 E 8.11 4.79 0.00 2.02 1.98 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 2.29 2.30 0.00 102 R 7.88 4.23 0.00 2.00 2.07 0.00 3.72 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 103 T 8.27 3.01 4.26 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 1.23 0.00 0.00 104 G 9.12 3.37 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 0.00 105 K 7.84 3.51 0.00 1.88 1.89 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.37 7.81 106 A 7.89 4.09 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 0.00 107 A 7.84 4.68 1.26 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 0.00 108 R 7.66 4.25 0.00 1.86 1.90 0.00 3.13 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 109 I 7.86 4.61 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.64 0.96 0.00 0.00 110 K 8.82 3.97 0.00 1.71 1.81 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.47 7.81 111 E 8.72 4.53 0.00 1.97 1.86 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 2.40 2.37 0.00 112 R 10.04 3.96 0.00 2.03 1.95 0.00 3.37 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 113 L 7.48 3.48 0.00 1.83 1.79 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.12 4.23 0.00 2.78 2.75 0.00 0.00 6.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00