NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0477 8.0244 120.7866 60.1682 38.6724 174.9757 4 K 3.7930 8.6527 130.0007 55.4396 32.4795 172.9198 5 E 4.1573 9.4366 128.7180 56.0953 31.2727 175.5056 6 L 4.6386 8.2675 124.9572 54.7301 43.1518 175.7570 7 H 4.5964 9.4653 123.2104 55.7581 31.2844 173.9489 8 V 4.8217 8.5743 125.7413 61.3734 32.9512 174.6548 9 K 4.6335 8.9731 127.8225 54.8860 34.9855 175.2425 10 T 4.7662 8.4625 121.6534 62.3440 69.2771 174.4638 11 V 4.5017 8.2813 119.2499 59.3911 36.2627 174.9502 12 K 4.6448 8.5770 120.7194 54.1367 34.5826 176.4289 13 R 4.2537 8.6110 120.9049 57.8878 30.3569 177.5774 14 G 3.9312 9.0333 110.6055 46.0458 0.0000 173.6241 15 E 4.3042 7.8217 119.3020 56.4035 31.1268 175.1401 16 N 5.2714 8.4633 117.6183 51.7803 40.7135 174.9889 17 V 4.4342 8.4936 121.9091 61.2945 35.2614 174.1924 18 T 4.9463 8.3203 121.7716 61.9370 71.5527 173.0610 19 M 4.7070 8.7976 125.8352 53.5270 34.9309 174.8410 20 E 5.2486 8.9527 122.5515 55.8280 31.8310 176.3140 21 C 4.9325 9.2583 122.0842 55.7734 47.5948 173.0034 22 S 5.0091 8.8383 121.1623 58.1627 63.2261 173.4858 23 M 4.3544 8.6014 125.7493 55.5058 32.1649 178.2820 24 S 4.2475 7.9105 114.3785 60.5648 63.0736 175.1738 25 K 4.4241 7.6900 116.5660 55.3120 33.8530 175.8497 26 V 3.5781 7.5522 119.3978 62.6954 30.5422 175.0870 27 K 3.3868 7.3435 127.8539 58.2342 32.4975 175.4239 28 D 4.6801 7.6070 121.4319 51.9987 42.7954 177.0920 29 K 3.3916 8.3765 127.4387 59.4717 32.0588 179.1266 30 N 4.5664 7.7468 114.5874 55.6511 38.7068 176.2202 31 K 4.0930 8.0441 117.5754 57.8125 32.7801 176.5761 32 L 4.6926 7.5360 120.4941 54.4263 42.6240 176.0863 33 A 5.3032 9.0872 124.0063 50.5891 23.5394 174.5800 34 W 5.3254 9.2923 119.5647 55.6780 31.3625 175.2291 35 Y 5.3365 10.0441 121.8147 56.3333 40.6608 174.4776 36 R 4.5410 9.5879 124.5080 54.6497 32.6737 174.5740 37 Q 4.6432 8.4723 127.6275 54.0278 31.1589 174.6599 38 S 4.5947 8.3049 122.1084 57.5699 64.5941 173.7219 39 F 4.0198 8.7426 124.4811 60.0723 39.3940 175.6480 40 G 3.7699 8.2443 115.6068 45.0747 0.0000 172.6381 41 K 4.6760 7.3017 117.4023 53.9041 35.6677 176.1289 42 V 4.0537 8.0271 119.9073 60.8435 32.4114 174.3807 43 P 4.8602 0.0000 0.0000 62.9849 32.4790 175.5560 44 Q 4.7736 9.3899 123.1778 54.5223 32.6217 173.5289 45 Y 4.2986 9.0280 127.9617 57.6399 39.2590 174.9539 46 F 4.5735 8.5322 119.0146 55.9722 40.5111 174.7539 47 V 4.8081 6.6406 118.6548 59.9871 34.6050 173.9885 48 R 5.3640 9.1288 119.5151 54.0305 33.2769 173.8441 49 Y 4.8575 8.6585 120.7762 59.0945 39.1718 175.1361 50 Y 4.8341 7.6941 126.1996 55.1788 42.8486 176.3404 51 S 4.4534 7.8439 120.0282 58.8616 62.5766 174.2561 52 S 4.6611 7.4469 116.5844 56.8574 64.4892 172.3130 53 N 4.5699 8.5986 117.6863 56.1474 39.1070 176.9024 54 S 4.1961 7.9794 112.1579 59.7591 63.4319 175.1439 55 G 4.0150 9.7004 108.3485 44.3546 0.0000 171.5028 56 Y 5.0808 6.9909 113.7732 56.0372 40.4332 173.3041 57 K 4.3174 8.8529 121.8326 54.8612 35.8310 175.7140 58 F 4.8563 8.7698 125.2716 56.9203 40.3428 174.9380 59 A 4.1756 9.1107 123.6921 51.3309 19.3922 176.8785 60 E 3.8751 8.9711 122.4021 58.3780 29.8370 176.8105 61 G 4.0004 9.1203 114.5755 45.2315 0.0000 172.9164 62 F 4.1903 8.4511 122.8227 57.3721 39.6000 175.2250 63 K 3.9848 7.4511 126.8036 54.8282 33.7239 175.5483 64 D 4.1519 7.2288 124.3278 52.8332 41.7945 175.8299 65 S 4.3199 8.3682 121.4508 60.1118 63.5491 175.7714 66 R 4.0782 8.0995 120.8726 58.3584 30.6322 176.2981 67 F 5.2230 8.0894 117.9426 56.4962 40.7912 175.2448 68 S 4.9455 8.7487 116.0081 58.0050 66.8880 172.4093 69 M 4.7668 7.2538 117.8884 53.6964 35.7540 175.9850 70 T 4.3647 8.6638 119.2627 62.3320 70.0868 174.0476 71 V 4.9035 8.5109 127.9222 61.2562 32.3944 173.9374 72 N 5.2135 8.9971 130.9556 52.7976 38.1174 174.7361 73 D 4.7694 8.8765 115.2227 54.8942 42.0688 176.5096 74 Q 4.6548 9.3209 118.1424 55.7547 31.3227 175.4591 75 K 4.9666 8.0943 118.5587 53.9539 36.1922 176.4910 76 F 5.5549 9.3165 129.7517 57.7113 38.6960 175.0700 77 D 4.9223 8.3439 118.8763 54.2971 42.6112 176.5531 78 L 4.5346 8.2500 124.4479 53.3516 44.1005 174.8784 79 N 5.4043 9.1066 122.8882 51.4313 42.6465 173.3873 80 I 4.6286 8.4442 121.9011 59.4553 41.1529 174.3629 81 I 4.3769 8.5087 127.8618 59.8936 38.3818 175.6293 82 G 3.5156 8.2701 116.7781 46.0623 0.0000 173.2527 83 T 4.1222 8.7454 115.4748 62.1845 68.7180 172.9964 84 R 4.8065 8.7235 122.0668 53.8035 33.0681 176.0175 85 E 2.5400 8.1749 117.6956 59.1434 29.3574 178.8378 86 D 4.6207 7.6477 114.0636 54.2060 39.3886 176.4707 87 D 4.7238 8.1801 119.8875 55.6811 41.2232 177.1461 88 G 3.9638 8.0289 109.3068 46.0569 0.0000 173.7286 89 G 3.7799 7.5016 107.8873 43.9187 0.0000 172.1812 90 E 5.3087 8.1973 118.8062 54.8180 33.4538 175.0744 91 Y 5.0777 8.9933 119.1509 56.4459 42.4391 174.4321 92 F 5.6508 9.5327 121.8521 55.9717 43.7162 173.0830 93 C 4.5093 9.4082 123.3080 55.0362 46.1681 172.4000 94 G 4.1722 9.2534 114.0665 44.2317 0.0000 171.2747 95 E 4.8451 8.8486 126.4285 53.9802 31.0172 175.1732 96 V 3.7326 8.1484 128.6636 62.6715 31.8113 176.4525 97 E 4.6771 8.6246 126.7347 53.4930 30.1874 173.9589 98 G 4.1526 7.4952 112.0963 45.6296 0.0000 175.5983 99 N 4.5136 8.9747 123.4494 54.2507 38.9776 174.4334 100 T 4.6096 7.5665 107.3282 59.4819 71.8432 172.0807 101 I 4.6086 7.8255 121.8492 59.2302 40.0946 174.2613 102 K 4.3839 8.3711 129.1448 54.5566 34.7059 174.5638 103 F 5.2737 8.5563 125.8258 56.3338 39.9183 175.7849 104 T 4.3680 8.4507 113.6190 61.4807 69.8759 174.4271 105 S 4.6787 7.6066 114.4167 58.1656 65.6817 174.5867 106 G 4.8461 8.2440 110.3263 46.0068 0.0000 171.9565 107 T 5.3936 9.3860 118.1606 61.5279 72.4959 172.9435 108 R 5.0394 9.2409 126.4002 54.8624 32.2939 174.5896 109 L 5.0587 9.0493 127.4717 53.3960 43.5982 175.6305 110 Q 4.9017 8.8236 121.6959 54.2746 32.0757 175.7736 111 F 4.5360 8.7728 118.6670 56.8554 39.4078 175.4830 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 I 8.02 4.05 1.87 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 1.29 1.34 0.91 0.00 0.00 4 K 8.65 3.79 0.00 1.84 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.59 7.81 5 E 9.44 4.16 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 2.32 2.43 0.00 6 L 8.27 4.64 0.00 1.68 1.72 1.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 H 9.47 4.60 0.00 3.25 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.57 4.82 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 0.89 0.00 0.00 1.00 0.00 0.00 9 K 8.97 4.63 0.00 1.62 1.55 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.16 7.81 10 T 8.46 4.77 4.17 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 1.18 0.00 0.00 11 V 8.28 4.50 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 0.71 0.00 0.00 0.04 0.00 0.00 12 K 8.58 4.64 0.00 1.83 1.72 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.58 7.81 13 R 8.61 4.25 0.00 1.82 1.88 0.00 3.33 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 14 G 9.03 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 15 E 7.82 4.30 0.00 1.95 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 2.31 2.40 0.00 16 N 8.46 5.27 0.00 2.53 2.63 0.00 0.00 6.58 7.68 0.00 0.00 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 V 8.49 4.43 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 0.87 0.00 0.00 0.80 0.00 0.00 18 T 8.32 4.95 4.17 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 1.15 0.00 0.00 19 M 8.80 4.71 0.00 1.77 1.27 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 20 E 8.95 5.25 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 2.32 2.36 0.00 21 C 9.26 4.93 0.00 3.13 3.45 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 22 S 8.84 5.01 0.00 3.92 3.77 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 0.00 0.00 0.00 23 M 8.60 4.35 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.72 0.00 24 S 7.91 4.25 0.00 4.00 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 25 K 7.69 4.42 0.00 1.67 1.76 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.37 7.81 26 V 7.55 3.58 1.92 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 0.48 0.00 0.00 0.78 0.00 0.00 27 K 7.34 3.39 0.00 1.73 1.71 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.34 7.81 28 D 7.61 4.68 0.00 2.67 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.39 0.00 1.14 0.74 0.00 1.44 0.00 0.00 1.34 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.03 1.13 7.81 30 N 7.75 4.57 0.00 2.93 2.89 0.00 0.00 7.08 6.89 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 31 K 8.04 4.09 0.00 1.81 1.84 0.00 1.60 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.52 7.81 32 L 7.54 4.69 0.00 1.24 0.74 0.21 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 33 A 9.09 5.30 1.21 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 0.00 0.00 34 W 9.29 5.33 0.00 2.81 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 35 Y 10.04 5.34 0.00 3.21 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 36 R 9.59 4.54 0.00 1.34 1.60 0.00 2.54 0.00 0.00 2.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.00 37 Q 8.47 4.64 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 38 S 8.30 4.59 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 39 F 8.74 4.02 0.00 3.03 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 40 G 8.24 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.30 4.68 0.00 1.85 1.67 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 42 V 8.03 4.05 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 0.76 0.00 0.00 0.95 0.00 0.00 43 P 0.00 4.86 0.00 2.20 2.31 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 44 Q 9.39 4.77 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 45 Y 9.03 4.30 0.00 2.10 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 46 F 8.53 4.57 0.00 2.28 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 47 V 6.64 4.81 1.44 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 0.12 0.00 0.00 0.28 0.00 0.00 48 R 9.13 5.36 0.00 2.04 2.08 0.00 2.85 0.00 0.00 2.89 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 49 Y 8.66 4.86 0.00 2.69 2.98 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 50 Y 7.69 4.83 0.00 2.79 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 51 S 7.84 4.45 0.00 3.59 3.77 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 0.00 0.00 0.00 52 S 7.45 4.66 0.00 4.10 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 53 N 8.60 4.57 0.00 2.73 2.82 0.00 0.00 6.89 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 54 S 7.98 4.20 0.00 3.83 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 55 G 9.70 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 56 Y 6.99 5.08 0.00 2.84 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 57 K 8.85 4.32 0.00 0.88 1.43 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.19 1.20 7.81 58 F 8.77 4.86 0.00 3.15 3.18 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 59 A 9.11 4.18 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 60 E 8.97 3.88 0.00 2.01 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 2.34 2.39 0.00 61 G 9.12 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 62 F 8.45 4.19 0.00 2.95 3.15 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 63 K 7.45 3.98 0.00 1.50 1.48 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 1.30 7.81 64 D 7.23 4.15 0.00 1.88 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 0.00 0.00 0.00 65 S 8.37 4.32 0.00 4.01 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 66 R 8.10 4.08 0.00 1.67 2.03 0.00 3.33 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 1.61 1.70 0.00 67 F 8.09 5.22 0.00 3.25 3.39 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 68 S 8.75 4.95 0.00 4.00 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 69 M 7.25 4.77 0.00 1.28 0.57 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 70 T 8.66 4.36 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 1.25 0.00 0.00 71 V 8.51 4.90 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 1.30 0.00 0.00 1.21 0.00 0.00 72 N 9.00 5.21 0.00 2.87 2.73 0.00 0.00 6.96 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 73 D 8.88 4.77 0.00 2.70 2.77 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 0.00 0.00 0.00 74 Q 9.32 4.65 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 75 K 8.09 4.97 0.00 1.98 1.92 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.49 7.81 76 F 9.32 5.55 0.00 2.96 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 77 D 8.34 4.92 0.00 2.64 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 78 L 8.25 4.53 0.00 0.27 0.40 0.78 -0.31 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 79 N 9.11 5.40 0.00 2.54 2.51 0.00 0.00 6.47 7.36 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 80 I 8.44 4.63 1.53 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.13 0.50 0.00 0.00 81 I 8.51 4.38 1.81 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 1.11 0.49 0.87 0.00 0.00 82 G 8.27 3.52 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 0.00 0.00 0.00 83 T 8.75 4.12 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 1.43 0.00 0.00 84 R 8.72 4.81 0.00 1.83 1.87 0.00 2.89 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 85 E 8.17 2.54 0.00 1.75 1.78 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 2.23 1.92 0.00 86 D 7.65 4.62 0.00 2.74 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 87 D 8.18 4.72 0.00 3.02 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 88 G 8.03 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 89 G 7.50 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 90 E 8.20 5.31 0.00 1.78 1.71 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 2.35 2.33 0.00 91 Y 8.99 5.08 0.00 2.94 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 92 F 9.53 5.65 0.00 2.95 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 93 C 9.41 4.51 0.00 1.64 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 94 G 9.25 4.17 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 0.00 0.00 0.00 95 E 8.85 4.85 0.00 1.84 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 0.00 2.07 2.06 0.00 96 V 8.15 3.73 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 0.74 0.00 0.00 0.86 0.00 0.00 97 E 8.62 4.68 0.00 1.99 1.80 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 2.23 2.12 0.00 98 G 7.50 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 99 N 8.97 4.51 0.00 2.70 2.86 0.00 0.00 6.54 7.54 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 0.00 100 T 7.57 4.61 4.17 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 1.17 0.00 0.00 101 I 7.83 4.61 1.59 0.00 0.00 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 0.07 0.60 0.37 0.00 0.00 102 K 8.37 4.38 0.00 1.87 1.44 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.30 7.81 103 F 8.56 5.27 0.00 2.83 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 0.00 104 T 8.45 4.37 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 1.15 0.00 0.00 105 S 7.61 4.68 0.00 3.88 3.72 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 0.00 106 G 8.24 4.85 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 0.00 0.00 0.00 107 T 9.39 5.39 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 108 R 9.24 5.04 0.00 1.97 1.89 0.00 3.18 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 109 L 9.05 5.06 0.00 1.90 1.71 0.80 0.74 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 0.00 110 Q 8.82 4.90 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 111 F 8.77 4.54 0.00 3.11 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