NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3977 8.2876 121.7403 56.1893 31.3970 174.2897 2 Q 4.6423 8.7913 126.4295 54.7357 29.1802 174.0660 3 L 4.7487 8.1707 125.3159 54.1260 43.9794 177.5438 4 T 4.5098 8.7872 110.9631 60.1946 71.3873 175.7179 5 K 3.7445 8.9898 122.4732 60.4552 31.9425 179.3976 6 C 4.6143 8.1429 115.6406 59.7742 41.3160 175.8928 7 E 3.8777 8.0689 120.2717 59.2127 29.1502 179.4714 8 V 3.4096 7.7599 118.3697 65.8333 31.3569 177.5110 9 F 3.9361 8.4382 119.4570 61.5695 38.8985 177.1301 10 R 4.2057 8.4199 117.4181 59.5693 29.7885 179.0588 11 E 4.1282 8.2322 116.3401 58.2041 29.5844 178.1987 12 L 4.6052 7.4880 118.7705 54.0326 42.8233 178.6129 13 K 3.8979 7.5890 120.8983 60.1685 32.5136 178.7787 14 D 4.6455 8.0213 117.7919 56.5064 40.9667 177.0557 15 L 4.2030 7.7628 117.8894 54.6045 42.0726 176.3697 16 K 3.9695 8.1754 121.5219 57.8494 32.2939 177.2834 17 G 3.9745 9.0315 113.5681 45.9061 0.0000 172.5986 18 Y 3.9851 8.0308 122.6041 58.7678 39.0520 176.3581 19 G 3.9043 8.8659 114.3595 46.2864 0.0000 173.8275 20 G 3.8581 8.4875 106.1109 45.4841 0.0000 174.0430 21 V 4.3485 7.4212 119.5307 59.3700 33.4075 175.8874 22 S 4.7377 9.1936 119.4815 57.5439 65.3433 175.4393 23 L 3.9247 8.2753 122.4446 57.5821 41.4128 177.8992 24 P 4.7845 0.0000 0.0000 65.0972 31.1917 178.4865 25 E 3.8489 7.7516 117.0343 59.0720 29.2577 179.4495 26 W 4.2047 7.8014 118.5217 59.8539 29.3032 178.8192 27 V 3.6970 8.2982 118.6129 65.9441 31.0042 177.3852 28 C 2.4500 7.6411 117.8528 59.1367 44.5645 175.6435 29 T 3.7667 7.7570 117.6477 66.8771 67.9773 176.8809 30 T 3.9080 8.2057 113.1771 64.0128 68.6886 176.4246 31 F 3.3450 7.6629 122.6897 61.1758 39.1118 176.8268 32 H 4.1368 7.8238 114.6104 58.1933 28.3333 177.3528 33 T 4.2974 7.9477 112.1593 63.4392 69.0925 176.1277 34 S 4.4706 7.9634 112.9582 56.4165 64.2357 174.6499 35 G 3.2830 8.1000 108.2170 46.5568 0.0000 173.8222 36 Y 3.7929 7.7122 113.9852 58.5224 35.4196 168.4733 37 D 5.0211 7.8550 121.3472 52.9033 40.4227 177.2246 38 T 4.1129 8.4309 118.1491 63.6277 68.9330 175.7081 39 Q 4.6495 8.4730 120.4002 55.4254 29.4821 175.2553 40 A 4.1854 7.8115 121.4133 52.3034 19.5091 177.3279 41 I 4.8003 8.1648 121.6756 59.3699 41.2969 174.1746 42 V 4.2550 8.6267 129.5201 61.2337 33.8241 173.6439 43 Q 4.7633 8.6329 129.5883 54.7269 30.4338 174.2365 44 N 5.1626 8.9114 124.0852 51.1190 42.0918 173.5941 45 N 4.4215 8.9616 116.4315 57.1037 38.8167 175.6314 46 D 4.8267 7.9356 114.0619 54.3976 42.5553 175.7432 47 S 4.9174 7.4777 112.4169 57.5417 66.1297 172.5651 48 T 5.1625 9.2522 116.2182 62.0712 73.0341 173.0528 49 E 5.4113 9.0999 123.4822 54.9122 33.1944 174.6378 50 Y 5.0834 9.1664 120.8432 57.3906 41.8144 177.7292 51 G 4.3012 8.9453 112.3664 44.3012 0.0000 173.2546 52 L 3.9821 8.6628 118.7666 57.2557 41.7015 178.7416 53 F 4.5776 8.1278 112.9997 56.8277 39.9738 175.2192 54 Q 3.6068 7.8561 119.3532 57.0089 26.5463 174.2863 55 I 4.1274 7.9646 119.2309 60.9317 38.0475 176.3302 56 N 6.0609 9.2209 122.0057 51.4169 38.7607 175.0354 57 N 5.1606 8.7529 115.4428 52.7173 38.0810 176.1308 58 K 4.2120 8.9060 121.0629 58.8034 32.8391 178.6281 59 I 4.3969 7.7271 116.8242 61.0728 39.4356 177.3827 60 W 4.6282 7.6387 118.5562 58.0977 29.4158 173.2698 61 C 5.6713 7.8908 111.2347 53.8361 42.4878 172.5891 62 K 4.7257 8.7299 120.7199 55.2820 33.4664 174.9405 63 D 5.2687 8.4826 125.2004 52.5715 44.4271 175.5346 64 D 4.5175 8.7762 118.6995 56.7305 41.4641 178.3712 65 Q 4.1383 8.2522 119.5843 58.5291 29.7266 175.8335 66 N 5.0608 7.7135 114.7113 50.4970 38.6980 173.0326 67 P 4.4154 0.0000 0.0000 65.4172 32.0576 177.7325 68 H 4.8449 7.9896 114.9952 55.5533 28.7490 175.0849 69 S 4.2319 7.7212 114.7281 58.2290 62.7669 174.8774 70 S 4.0189 8.2248 120.0184 59.4816 63.6044 173.5863 71 N 4.0449 8.3092 120.4244 54.2487 37.5487 174.9942 72 I 3.7362 7.8798 120.3264 64.9408 37.7400 177.5146 73 C 4.4757 8.6595 115.0852 57.0056 40.7896 172.6576 74 N 4.1194 8.0140 117.8932 53.8201 37.3926 172.9819 75 I 4.4904 8.0249 117.2303 59.4770 42.1311 173.2248 76 S 4.6605 8.2332 120.0163 57.5694 64.1733 175.5038 77 C 3.4587 8.4640 123.0748 60.0950 41.0555 176.1018 78 D 4.2360 7.6988 119.0298 55.5657 38.6682 178.1858 79 K 4.0084 7.5270 119.3727 58.5388 32.0575 177.9736 80 F 5.1010 7.7196 116.8200 58.0770 39.2414 175.9322 81 L 4.6772 7.9410 118.4822 55.0120 42.2546 176.2847 82 D 4.8515 7.7138 118.1011 52.0744 41.7216 175.4925 83 D 4.3525 8.5382 117.6198 57.0362 41.3378 176.1167 84 D 4.5462 7.5931 119.7650 53.4561 40.5669 175.9738 85 L 4.7686 8.2945 126.7496 55.0580 41.5531 179.0585 86 T 3.8687 7.8982 118.8852 66.9566 68.3691 176.5259 87 D 4.4389 8.0887 120.3457 57.1539 40.4565 178.1677 88 D 4.1110 8.3185 119.0757 57.6390 40.8783 178.9268 89 I 3.2424 7.6298 119.9268 64.2935 36.6791 178.1248 90 M 3.8218 7.7893 118.8337 58.8045 32.0046 177.5349 91 C 4.2089 8.2249 118.5933 59.4790 43.7063 175.5892 92 V 3.0993 7.7405 120.1983 65.7362 30.7983 178.1984 93 K 3.5813 7.7798 118.3528 59.0808 31.6692 179.4920 94 K 4.0220 7.4891 118.5027 59.4830 31.9100 179.5186 95 I 3.1255 7.5028 120.1341 64.0336 36.4118 178.5036 96 L 4.1098 8.2217 120.1844 57.9077 41.2452 179.3102 97 D 4.5069 8.3394 118.3686 57.2913 40.8597 178.5778 98 K 4.2844 8.3650 118.1188 58.3689 32.4545 178.1031 99 V 4.1985 8.7174 116.6148 61.9543 33.9486 175.7847 100 G 4.0697 7.8011 103.8036 44.4177 0.0000 174.1141 101 I 3.8835 8.3160 118.1027 64.0584 38.0134 176.8606 102 N 4.8050 8.1419 114.8805 53.7558 38.1604 175.2892 103 Y 3.9933 8.0576 121.9280 59.6658 39.1359 175.7449 104 W 4.4172 8.6168 120.7428 54.9088 29.1326 176.8050 105 L 3.9955 8.5058 125.0163 57.5993 41.5273 179.8885 106 A 4.0855 8.1640 121.1244 55.3137 18.7981 178.7980 107 H 3.9239 8.4477 116.0062 59.3717 30.0662 176.9248 108 K 3.7167 8.2367 118.4400 59.6515 32.1108 177.6517 109 A 4.1468 7.6508 119.2260 54.2944 18.3932 178.1846 110 L 4.7060 8.0206 112.9845 54.7818 43.6550 176.3208 111 C 4.9857 8.0540 116.1227 56.7849 41.0439 175.0310 112 S 4.1982 8.1118 117.2548 59.3378 63.7557 173.6112 113 E 4.5135 7.7471 115.6242 55.5156 32.5010 173.7960 114 K 3.7707 8.4268 116.5061 57.8848 29.9094 175.0770 115 L 4.9981 7.5517 115.2126 54.8945 42.4593 178.6084 116 D 4.4225 8.3837 121.9437 57.6814 40.6831 178.7362 117 Q 3.8891 7.8853 113.8779 57.5151 28.5331 176.4906 118 W 4.9743 8.3672 119.0714 56.5821 29.5228 175.3728 119 L 4.7704 7.5032 118.3114 53.7111 42.5843 175.9315 120 C 4.5083 7.8063 119.6433 55.8427 42.3236 175.3417 121 E 4.1727 8.4907 127.5951 56.2115 29.3900 174.4653 122 K 4.2034 7.6699 126.9747 55.3593 31.7635 179.0037 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 E 8.29 4.40 0.00 2.29 1.93 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 2.29 2.34 0.00 2 Q 8.79 4.64 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 3 L 8.17 4.75 0.00 1.31 1.54 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.79 4.51 4.25 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 1.27 0.00 0.00 5 K 8.99 3.74 0.00 2.06 1.94 0.00 1.81 0.00 0.00 1.97 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.69 1.95 7.81 6 C 8.14 4.61 0.00 2.97 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 7 E 8.07 3.88 0.00 2.22 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 2.31 2.29 0.00 8 V 7.76 3.41 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 0.84 0.00 0.00 0.24 0.00 0.00 9 F 8.44 3.94 0.00 3.24 3.21 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 10 R 8.42 4.21 0.00 2.23 1.99 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 11 E 8.23 4.13 0.00 1.89 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 2.33 2.63 0.00 12 L 7.49 4.61 0.00 1.56 1.44 0.73 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.59 3.90 0.00 1.97 2.21 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.41 7.81 14 D 8.02 4.65 0.00 2.59 2.71 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 15 L 7.76 4.20 0.00 1.67 1.53 -0.19 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.18 3.97 0.00 1.82 1.77 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.41 7.81 17 G 9.03 3.97 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 0.00 0.00 0.00 18 Y 8.03 3.99 0.00 3.13 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 19 G 8.87 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 0.00 0.00 0.00 20 G 8.49 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 0.00 0.00 0.00 21 V 7.42 4.35 1.72 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 0.70 0.00 0.00 0.12 0.00 0.00 22 S 9.19 4.74 0.00 4.05 4.04 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 23 L 8.28 3.92 0.00 1.16 0.51 0.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.78 0.00 2.28 2.36 0.00 3.85 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 2.27 2.37 0.00 25 E 7.75 3.85 0.00 1.96 1.74 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 2.47 2.30 0.00 26 W 7.80 4.20 0.00 3.38 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 27 V 8.30 3.70 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 1.48 0.00 0.00 1.09 0.00 0.00 28 C 7.64 2.45 0.00 1.64 2.67 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 29 T 7.76 3.77 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 1.10 0.00 0.00 30 T 8.21 3.91 4.13 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 0.72 0.00 0.00 31 F 7.66 3.34 0.00 2.71 2.90 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 32 H 7.82 4.14 0.00 3.28 3.35 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.95 4.30 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 1.48 0.00 0.00 34 S 7.96 4.47 0.00 3.91 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 35 G 8.10 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 0.00 0.00 0.00 36 Y 7.71 3.79 0.00 3.34 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 37 D 7.86 5.02 0.00 2.78 2.67 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 38 T 8.43 4.11 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 1.26 0.00 0.00 39 Q 8.47 4.65 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 40 A 7.81 4.19 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 I 8.16 4.80 1.77 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 0.86 0.00 0.00 42 V 8.63 4.25 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 0.90 0.00 0.00 0.92 0.00 0.00 43 Q 8.63 4.76 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 44 N 8.91 5.16 0.00 2.79 2.72 0.00 0.00 6.98 7.87 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 45 N 8.96 4.42 0.00 2.68 2.85 0.00 0.00 6.76 8.47 0.00 0.00 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 D 7.94 4.83 0.00 2.69 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 47 S 7.48 4.92 0.00 4.13 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 48 T 9.25 5.16 4.32 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 0.85 0.00 0.00 49 E 9.10 5.41 0.00 2.01 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 0.00 2.32 2.29 0.00 50 Y 9.17 5.08 0.00 3.11 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 51 G 8.95 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.66 3.98 0.00 1.45 1.28 0.91 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.13 4.58 0.00 3.02 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 54 Q 7.86 3.61 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 55 I 7.96 4.13 1.80 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.99 0.00 0.00 56 N 9.22 6.06 0.00 3.19 3.27 0.00 0.00 6.49 6.96 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 57 N 8.75 5.16 0.00 2.96 3.22 0.00 0.00 6.43 7.13 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 58 K 8.91 4.21 0.00 2.08 1.85 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.48 1.57 7.81 59 I 7.73 4.40 0.70 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 1.09 0.06 -0.53 0.00 0.00 60 W 7.64 4.63 0.00 3.56 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 61 C 7.89 5.67 0.00 3.10 3.27 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 62 K 8.73 4.73 0.00 1.83 1.65 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.40 7.81 63 D 8.48 5.27 0.00 2.61 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 64 D 8.78 4.52 0.00 2.70 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 65 Q 8.25 4.14 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.29 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 66 N 7.71 5.06 0.00 2.88 2.71 0.00 0.00 6.85 8.03 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 67 P 0.00 4.42 0.00 2.17 2.18 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 68 H 7.99 4.84 0.00 3.10 3.32 0.00 5.91 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.72 4.23 0.00 4.12 3.83 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 70 S 8.22 4.02 0.00 4.04 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 71 N 8.31 4.04 0.00 2.88 2.77 0.00 0.00 7.01 8.28 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 72 I 7.88 3.74 2.08 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 1.08 0.00 0.00 73 C 8.66 4.48 0.00 3.37 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.01 4.12 0.00 2.83 2.82 0.00 0.00 6.83 7.32 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 75 I 8.02 4.49 1.80 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.92 0.71 0.00 0.00 76 S 8.23 4.66 0.00 3.93 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 77 C 8.46 3.46 0.00 2.04 1.18 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 78 D 7.70 4.24 0.00 2.93 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 79 K 7.53 4.01 0.00 1.33 1.74 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.42 7.81 80 F 7.72 5.10 0.00 3.21 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 81 L 7.94 4.68 0.00 1.87 1.81 1.13 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.71 4.85 0.00 2.81 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 83 D 8.54 4.35 0.00 2.71 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 84 D 7.59 4.55 0.00 2.94 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 85 L 8.29 4.77 0.00 1.73 1.70 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.90 3.87 4.42 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 0.00 0.00 0.00 1.19 0.00 0.00 87 D 8.09 4.44 0.00 2.92 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 88 D 8.32 4.11 0.00 3.00 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 89 I 7.63 3.24 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.38 0.64 0.00 0.00 90 M 7.79 3.82 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 91 C 8.22 4.21 0.00 3.24 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 92 V 7.74 3.10 1.36 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 0.33 0.00 0.00 -0.66 0.00 0.00 93 K 7.78 3.58 0.00 1.67 1.22 0.00 1.33 0.00 0.00 0.90 0.00 0.00 2.35 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 1.10 7.81 94 K 7.49 4.02 0.00 1.90 1.94 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.63 7.81 95 I 7.50 3.13 1.62 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.22 0.00 0.00 96 L 8.22 4.11 0.00 2.08 1.97 1.37 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.34 4.51 0.00 2.93 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 98 K 8.37 4.28 0.00 1.96 2.01 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.72 1.89 7.81 99 V 8.72 4.20 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 1.01 0.00 0.00 1.14 0.00 0.00 100 G 7.80 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 0.00 101 I 8.32 3.88 1.68 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.64 0.74 0.00 0.00 102 N 8.14 4.80 0.00 2.82 2.88 0.00 0.00 6.85 7.46 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 0.00 103 Y 8.06 3.99 0.00 2.93 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 0.00 104 W 8.62 4.42 0.00 3.73 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 0.00 105 L 8.51 4.00 0.00 1.69 1.71 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.16 4.09 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 0.00 107 H 8.45 3.92 0.00 3.10 3.48 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.24 3.72 0.00 1.86 1.84 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 109 A 7.65 4.15 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.02 4.71 0.00 1.49 1.60 0.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.05 4.99 0.00 2.69 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 0.00 112 S 8.11 4.20 0.00 3.88 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 0.00 113 E 7.75 4.51 0.00 2.04 1.91 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 2.17 2.29 0.00 114 K 8.43 3.77 0.00 1.94 1.95 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.46 7.81 115 L 7.55 5.00 0.00 1.88 1.90 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.38 4.42 0.00 2.71 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 0.00 117 Q 7.89 3.89 0.00 1.66 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.28 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.00 118 W 8.37 4.97 0.00 3.59 3.35 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 0.00 119 L 7.50 4.77 0.00 1.63 1.62 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 120 C 7.81 4.51 0.00 1.23 2.35 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 0.00 121 E 8.49 4.17 0.00 1.99 1.81 0.00 0.00 0.00 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 1.87 0.00 122 K 7.67 4.20 0.00 1.77 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81