NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.0419 8.2644 123.5631 52.2587 20.4992 175.4085 3 E 4.4530 6.7317 114.5422 56.3568 34.0965 173.8815 4 E 3.6852 8.3721 115.1309 59.0978 30.7422 177.3239 5 W 4.6684 6.8848 113.3695 56.1606 28.7309 174.3981 6 Y 5.3437 7.7893 121.6664 56.5921 38.8846 175.1104 7 F 4.3338 8.8606 125.9930 56.3825 41.2564 177.7846 8 G 3.5608 6.0003 109.9932 46.8957 0.0000 176.1950 9 K 4.4602 8.4959 120.3431 55.2323 31.3990 176.0398 10 I 4.2289 7.2160 111.9852 60.1146 39.6580 176.5052 11 T 4.2807 8.0205 111.9602 61.0721 71.1036 175.5811 12 R 4.0428 9.1532 123.7545 59.0347 30.0908 179.0995 13 R 3.9189 7.8813 115.4613 58.9671 29.6864 178.3381 14 E 3.9749 8.1563 120.0538 58.8473 29.5455 178.6794 15 S 4.0296 8.4349 114.8329 61.7464 62.9699 176.4605 16 E 3.9415 8.4395 122.5706 58.8741 28.9111 179.2664 17 R 4.0212 7.6114 117.4538 58.6803 30.2513 178.3400 18 L 4.1649 7.8279 118.9909 57.7377 41.6290 179.2963 19 L 3.9704 7.8043 117.3555 57.6545 41.6557 178.1304 20 L 4.3233 7.7687 116.1691 54.6613 41.6519 176.3006 21 N 4.3756 7.9451 120.2535 52.8984 38.9393 173.8770 22 P 4.4022 0.0000 0.0000 64.6202 31.4675 176.8943 23 E 4.1584 8.1313 118.2820 58.1493 29.8465 176.6945 24 N 4.4866 8.2306 118.1017 51.9589 39.0246 173.4264 25 P 4.4151 0.0000 0.0000 62.1316 32.1781 175.6619 26 R 4.0912 8.1128 119.4688 57.8186 30.6368 176.8626 27 G 3.9922 9.2235 112.7580 45.2593 0.0000 173.3362 28 T 4.7904 7.6338 117.3815 63.7623 69.6420 173.5211 29 F 5.5953 9.1188 119.6056 55.8772 42.1533 172.8542 30 L 4.8601 8.8760 118.1864 54.5054 43.9273 174.6245 31 V 5.0456 9.4153 121.8259 61.8725 33.9565 174.8139 32 R 4.9351 8.8347 122.4458 55.0646 33.5042 173.5480 33 E 4.7189 8.9457 119.0370 55.7622 30.6050 176.7704 34 S 4.4740 8.3368 117.3885 58.0120 62.7863 174.2874 35 E 4.2289 8.9221 125.3654 58.0601 30.0768 177.4195 36 T 4.3445 7.9231 106.9821 63.2707 70.4431 175.6539 37 T 4.3012 7.3773 122.2324 61.2440 67.0163 172.5273 38 K 4.1939 7.8234 123.0973 56.1205 32.8402 176.2998 39 G 3.5166 8.4024 113.4810 45.0538 0.0000 173.2160 40 A 4.7664 8.0663 122.3339 50.7483 22.4602 175.4577 41 Y 5.1300 8.6411 116.9853 56.9250 41.9256 174.4732 42 C 5.2241 8.9627 116.4195 59.0679 33.2453 173.3735 43 L 4.8151 9.2491 126.9981 54.0682 43.1541 175.0396 44 S 5.3048 9.0340 124.2282 56.9304 64.8929 174.0044 45 V 5.1961 8.6564 124.1405 59.8769 35.0277 174.5750 46 S 5.0039 9.0786 118.2208 57.4257 65.0527 172.5508 47 D 5.3659 9.3267 122.0872 52.5297 45.1112 173.9341 48 F 5.5204 8.7769 122.2863 55.9971 42.4204 173.0366 49 D 4.6985 7.5285 123.9082 51.5156 42.7258 175.6022 50 N 4.2463 8.6523 116.3566 53.7464 38.1460 176.1090 51 A 4.0614 7.9587 122.3096 55.1357 18.7531 178.7934 52 K 4.1531 8.2779 112.8213 55.9712 33.4849 179.1458 53 G 3.6839 7.8279 107.7764 44.9229 0.0000 172.3888 54 L 4.6643 8.6993 122.2453 55.2382 42.2639 176.4961 55 N 5.0645 9.4556 120.7643 51.7018 41.4497 173.1572 56 V 4.8032 8.2562 118.4650 61.0127 34.2774 174.5635 57 K 4.4690 8.6893 125.5207 54.7677 35.2478 174.5948 58 H 5.1137 8.3552 120.7928 54.1740 30.9541 173.2255 59 Y 4.7097 8.7687 121.3953 55.7523 40.5550 175.1004 60 K 4.5872 8.9249 126.2773 56.4841 33.3144 175.7463 61 I 4.7193 8.6591 127.9550 59.7611 39.6520 174.7885 62 R 4.8759 8.7449 125.4586 54.1745 33.3675 174.5069 63 K 4.5809 8.5405 123.4160 54.7239 34.1037 175.7318 64 L 4.5566 8.7581 127.2667 53.3774 43.0397 177.4895 65 D 4.3872 8.8029 121.6551 56.7158 39.1389 177.6464 66 S 4.4125 7.9003 112.5568 58.3728 63.4150 174.7368 67 G 4.1959 8.2294 115.2256 46.5862 0.0000 175.3276 68 G 4.0544 7.6773 106.8241 46.3020 0.0000 171.7299 69 F 5.7201 9.5570 118.4949 55.9633 43.1480 173.9524 70 Y 5.2686 8.6610 118.4782 56.6714 40.9896 175.4821 71 I 4.2179 8.9396 121.4597 63.0140 38.6632 176.4598 72 T 4.8017 7.8187 116.5734 61.5093 70.4089 175.3422 73 S 3.3565 8.5643 119.7841 59.8982 63.5614 175.8207 74 R 3.7837 7.9917 120.2693 59.1759 29.9284 176.8070 75 T 4.0636 7.4080 116.7618 61.9926 68.3976 173.9877 76 Q 4.8762 7.7885 124.8643 53.8168 31.8252 175.4783 77 F 5.0036 8.8768 118.6821 55.7229 42.5889 176.7781 78 S 4.4321 9.7185 120.4691 60.9459 63.1424 174.8858 79 S 4.9389 7.8420 113.7165 55.6585 67.4355 174.6841 80 L 3.5341 7.7233 121.1170 57.5909 41.2882 179.5929 81 Q 4.0268 7.9934 119.3117 59.0787 29.1317 177.9491 82 Q 3.9679 7.8194 119.3132 58.8333 28.8425 178.0857 83 L 2.0000 7.2579 121.0366 57.9476 41.5821 179.2196 84 V 3.2246 7.4110 117.4268 65.7728 31.0548 177.9456 85 A 3.9169 7.3086 119.2871 55.1717 18.4238 178.6575 86 Y 3.8974 7.8477 117.9622 61.0511 39.0012 177.6758 87 Y 4.7398 7.6088 117.5401 59.4128 37.6861 177.9206 88 S 4.9829 7.2467 116.5198 59.1233 63.4980 176.3543 89 K 4.0541 7.6751 121.3667 58.2110 32.2020 176.5227 90 H 4.7187 6.5877 111.6162 54.1467 31.3229 174.0702 91 A 3.7928 8.9278 122.7493 54.7219 19.0657 178.1909 92 D 4.3265 8.3721 114.2599 55.1528 38.9609 173.9989 93 G 4.0642 8.1218 111.5610 45.5182 0.0000 172.6800 94 L 4.2825 7.8163 120.2268 53.1818 42.9470 177.4550 95 C 4.1875 8.4570 114.7378 61.7294 29.5602 173.6679 96 H 4.5429 7.2891 113.0619 54.5255 32.7415 173.1534 97 R 4.0908 8.3849 124.5723 56.4919 30.5977 176.1456 98 L 3.9152 8.8560 125.3266 56.0207 42.1865 175.2018 99 T 4.5853 9.2832 112.2604 62.2164 70.6997 174.3297 100 N 4.8878 8.5445 116.1302 51.7536 41.3763 174.9381 101 V 3.5919 8.2142 121.5532 62.3863 32.5644 175.2711 102 C 4.3549 8.4686 129.4314 58.5044 31.7631 171.7049 103 P 4.4003 0.0000 0.0000 63.9132 31.6605 176.3383 104 T 3.6949 8.3981 114.1849 64.2320 68.2105 172.1744 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 2 A 8.26 4.04 0.93 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 3 E 6.73 4.45 0.00 1.90 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 2.02 2.25 0.00 4 E 8.37 3.69 0.00 1.87 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 2.25 2.26 0.00 5 W 6.88 4.67 0.00 3.38 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 6 Y 7.79 5.34 0.00 2.46 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 7 F 8.86 4.33 0.00 2.96 2.96 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 8 G 6.00 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.50 4.46 0.00 1.76 1.81 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.45 7.81 10 I 7.22 4.23 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.56 1.06 0.00 0.00 11 T 8.02 4.28 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 1.21 0.00 0.00 12 R 9.15 4.04 0.00 1.81 2.03 0.00 2.99 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 13 R 7.88 3.92 0.00 2.07 2.16 0.00 3.01 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 14 E 8.16 3.97 0.00 2.15 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 0.00 2.33 2.39 0.00 15 S 8.43 4.03 0.00 3.99 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 16 E 8.44 3.94 0.00 2.23 2.05 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 2.37 2.55 0.00 17 R 7.61 4.02 0.00 1.95 2.10 0.00 3.26 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 18 L 7.83 4.16 0.00 1.82 1.67 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.80 3.97 0.00 1.78 1.70 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.77 4.32 0.00 1.91 1.70 0.93 1.12 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 21 N 7.95 4.38 0.00 2.73 2.82 0.00 0.00 6.95 8.42 0.00 0.00 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 P 0.00 4.40 0.00 2.20 2.16 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 23 E 8.13 4.16 0.00 2.14 2.04 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 2.32 2.27 0.00 24 N 8.23 4.49 0.00 2.79 2.77 0.00 0.00 7.13 8.08 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 25 P 0.00 4.42 0.00 2.21 2.18 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 26 R 8.11 4.09 0.00 1.80 1.80 0.00 3.38 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.73 0.00 27 G 9.22 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 0.00 0.00 0.00 28 T 7.63 4.79 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 1.20 0.00 0.00 29 F 9.12 5.60 0.00 3.09 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 30 L 8.88 4.86 0.00 1.16 1.05 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.42 5.05 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 1.41 0.00 0.00 0.97 0.00 0.00 32 R 8.83 4.94 0.00 2.04 1.99 0.00 2.96 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 33 E 8.95 4.72 0.00 1.88 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 2.47 2.55 0.00 34 S 8.34 4.47 0.00 4.03 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 35 E 8.92 4.23 0.00 1.97 1.97 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 2.28 2.26 0.00 36 T 7.92 4.34 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 1.19 0.00 0.00 37 T 7.38 4.30 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 1.21 0.00 0.00 38 K 7.82 4.19 0.00 1.72 1.73 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 39 G 8.40 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 40 A 8.07 4.77 1.32 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 41 Y 8.64 5.13 0.00 3.11 3.23 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 42 C 8.96 5.22 0.00 2.92 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 43 L 9.25 4.82 0.00 1.80 1.69 0.94 0.73 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 44 S 9.03 5.30 0.00 3.79 3.71 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 45 V 8.66 5.20 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 0.94 0.00 0.00 1.00 0.00 0.00 46 S 9.08 5.00 0.00 3.91 4.12 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 47 D 9.33 5.37 0.00 2.75 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 48 F 8.78 5.52 0.00 2.98 2.87 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 49 D 7.53 4.70 0.00 2.62 2.54 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 50 N 8.65 4.25 0.00 2.90 3.05 0.00 0.00 6.07 7.26 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 51 A 7.96 4.06 1.25 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 0.00 0.00 0.00 0.00 0.00 52 K 8.28 4.15 0.00 1.81 1.79 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.30 7.81 53 G 7.83 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.70 4.66 0.00 1.62 1.72 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 55 N 9.46 5.06 0.00 2.74 2.84 0.00 0.00 5.93 8.41 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 56 V 8.26 4.80 2.01 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 0.67 0.00 0.00 0.90 0.00 0.00 57 K 8.69 4.47 0.00 1.28 1.16 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.51 7.81 58 H 8.36 5.11 0.00 2.90 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.77 4.71 0.00 2.83 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 60 K 8.92 4.59 0.00 1.81 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.69 7.81 61 I 8.66 4.72 2.10 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 1.27 0.70 1.04 0.00 0.00 62 R 8.74 4.88 0.00 0.86 1.56 0.00 3.08 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 63 K 8.54 4.58 0.00 1.84 1.66 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.02 0.35 7.81 64 L 8.76 4.56 0.00 1.70 1.65 1.14 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.80 4.39 0.00 2.76 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 66 S 7.90 4.41 0.00 3.99 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 67 G 8.23 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 0.00 0.00 0.00 68 G 7.68 4.05 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 0.00 69 F 9.56 5.72 0.00 3.02 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 70 Y 8.66 5.27 0.00 3.49 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 71 I 8.94 4.22 1.94 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.88 0.00 0.00 72 T 7.82 4.80 4.29 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 1.26 0.00 0.00 73 S 8.56 3.36 0.00 3.54 3.24 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 74 R 7.99 3.78 0.00 1.78 1.96 0.00 3.29 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 75 T 7.41 4.06 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 0.60 0.00 0.00 76 Q 7.79 4.88 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.10 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 77 F 8.88 5.00 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.72 4.43 0.00 3.91 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 79 S 7.84 4.94 0.00 3.98 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 80 L 7.72 3.53 0.00 1.51 1.45 0.17 0.16 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 81 Q 7.99 4.03 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.04 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 82 Q 7.82 3.97 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 83 L 7.26 2.00 0.00 1.34 1.44 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.41 3.22 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 0.44 0.00 0.00 -0.12 0.00 0.00 85 A 7.31 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.85 3.90 0.00 3.08 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.74 0.00 2.94 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 88 S 7.25 4.98 0.00 3.89 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 89 K 7.68 4.05 0.00 1.07 1.57 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.32 7.81 90 H 6.59 4.72 0.00 3.14 3.23 0.00 5.47 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.93 3.79 1.34 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 92 D 8.37 4.33 0.00 2.73 3.34 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 93 G 8.12 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 94 L 7.82 4.28 0.00 1.84 1.44 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.46 4.19 0.00 3.39 3.20 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 96 H 7.29 4.54 0.00 3.16 3.16 0.00 5.96 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 97 R 8.38 4.09 0.00 1.75 1.77 0.00 3.50 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 98 L 8.86 3.92 0.00 1.05 0.45 0.08 0.18 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 99 T 9.28 4.59 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 1.33 0.00 0.00 100 N 8.54 4.89 0.00 2.74 2.81 0.00 0.00 6.51 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 0.00 101 V 8.21 3.59 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 0.79 0.00 0.00 1.00 0.00 0.00 102 C 8.47 4.35 0.00 2.91 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 0.00 103 P 0.00 4.40 0.00 2.24 2.08 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 104 T 8.40 3.69 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 1.23 0.00 0.00