NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5404 8.3449 118.3623 59.0154 29.6462 173.7120 11 P 4.3332 0.0000 0.0000 63.7275 32.4768 174.3709 12 L 5.0778 7.7364 120.7797 53.4055 45.1525 175.0115 13 M 5.0187 9.6242 125.5046 53.8069 36.3323 173.9027 14 V 4.9181 8.2092 122.7980 61.0379 35.6930 174.1287 15 K 5.0435 9.0267 126.7420 54.7853 35.9460 175.0405 16 V 4.9022 8.9963 126.2724 61.2130 35.0540 174.0031 17 L 5.1486 8.8705 126.5677 52.8920 45.9561 174.8329 18 D 5.3564 9.0702 121.1502 52.6703 42.5778 176.6907 19 A 4.1439 9.2351 129.0114 54.5410 18.5475 178.9231 20 V 3.8198 8.5983 114.8426 65.4831 31.8777 176.9379 21 R 4.3769 9.1239 116.7596 55.3659 31.2524 175.9738 22 G 3.8331 8.7520 105.7403 45.8735 0.0000 172.5327 23 S 4.7288 7.4606 111.5658 55.8996 67.2198 172.2882 24 P 4.6081 0.0000 0.0000 62.6965 32.0849 176.2609 25 A 4.4685 8.7910 125.1096 50.8281 20.0404 176.2363 26 I 4.3257 8.3563 122.5959 60.6851 39.7519 175.4238 27 N 4.2248 8.5291 120.1782 54.5277 36.5660 174.4689 28 V 4.2915 7.9516 112.0069 59.9091 33.4846 175.7099 29 A 4.5986 8.5403 127.4674 51.8833 19.9784 176.2317 30 V 4.8057 8.7311 121.3059 61.4149 35.0355 173.8818 31 H 5.1543 9.3550 124.7573 53.8388 32.1747 172.8988 32 V 4.7570 8.9320 122.7684 61.1459 34.0781 174.2396 33 F 5.4573 9.6707 126.8404 55.6676 42.5695 174.2322 34 R 4.4800 9.3551 122.7131 53.8737 32.4385 174.2653 35 K 3.5612 9.2549 129.1306 56.3971 32.2278 176.3929 36 A 4.1457 8.8668 131.7383 51.1974 19.2676 177.6393 37 A 3.6918 8.4368 121.1840 55.2506 18.2663 178.0770 38 D 4.6924 7.3173 113.9751 54.5175 41.0489 176.8518 39 D 4.6645 8.4104 120.2264 53.7953 40.4840 174.7260 40 T 4.3683 7.2530 114.2668 61.8267 71.3864 173.7468 41 W 4.9913 8.4528 123.7365 55.9609 29.9065 175.8474 42 E 4.8438 9.2233 125.4310 54.1676 31.4977 174.1573 43 P 4.4359 0.0000 0.0000 63.1235 31.2935 175.7723 44 F 4.8632 9.3907 126.4269 59.2595 41.8978 174.8630 45 A 4.5610 7.7490 117.1270 51.2467 22.3002 175.1182 46 S 4.8051 7.9745 112.9324 57.1887 65.9803 173.0897 47 G 4.0001 7.8441 110.5096 46.2091 0.0000 171.8885 48 K 5.2808 8.4719 118.2056 54.1883 35.9436 177.0059 49 T 4.2874 8.4081 113.9946 61.8004 70.0665 174.5946 50 S 4.6467 9.1399 119.5401 57.1503 64.3412 174.7361 51 E 3.3100 8.6825 119.6792 59.1688 29.0836 178.3130 52 S 4.4775 8.0961 110.8013 57.6981 62.6048 174.1651 53 G 4.0184 9.2576 107.8111 45.2290 0.0000 173.0466 54 E 4.9471 7.4869 118.3790 54.0494 31.8592 175.3318 55 L 4.7541 8.2669 122.9259 53.9790 43.8793 176.2322 56 H 4.6507 8.5778 123.6239 56.5086 30.3352 177.3272 57 G 3.7904 8.3276 106.9718 47.3990 0.0000 174.4188 58 L 3.0580 6.9708 112.7019 57.8924 41.7818 178.6966 59 T 4.5142 7.8105 118.1695 61.0830 71.8554 170.9107 60 T 4.6653 7.7096 114.9507 60.4143 70.3680 173.6694 61 E 3.8114 8.0349 120.9813 58.5767 30.7163 177.9868 62 E 5.8236 7.4713 113.7784 57.1881 31.8351 173.7722 63 Q 4.4191 8.0917 120.5781 57.5601 31.7749 175.0681 64 F 4.9622 8.3822 121.1663 58.3412 39.5521 174.4980 65 V 4.9477 8.2450 120.8593 59.1191 35.3732 174.5679 66 E 4.2066 8.6542 121.3035 55.8661 30.3730 176.5789 67 G 3.7848 7.5524 111.0119 46.6896 0.0000 170.3415 68 I 4.7929 7.2388 120.2787 59.9618 38.9100 175.0925 69 Y 5.1163 8.7654 124.7590 55.8963 41.7417 174.5840 70 K 4.8583 9.3133 122.1446 54.6436 35.6538 174.8618 71 V 4.7165 9.1937 127.7221 61.2481 33.8503 173.6540 72 E 5.0107 9.2651 130.0778 54.6223 31.8491 174.4195 73 I 4.5631 8.6957 129.0181 59.5760 38.9309 175.8821 74 D 4.9114 9.0032 129.5777 53.8101 37.8286 176.4263 75 T 3.7809 7.7973 114.7334 63.9614 69.3582 176.3644 76 K 4.0074 8.1838 122.1216 59.8681 32.1548 178.7717 77 S 4.1913 8.0970 115.0014 61.4719 62.4220 176.0726 78 Y 3.8784 7.3215 121.3510 60.4688 38.8637 177.9186 79 W 4.4479 8.0069 119.6369 59.6841 29.2242 178.4610 80 K 4.0772 8.5741 119.5006 59.0623 31.3961 178.9998 81 A 3.9914 8.0057 119.5477 55.2699 18.1466 179.0571 82 L 4.0817 7.4937 118.2413 57.6573 42.2757 177.2527 83 G 4.0472 7.4512 104.5772 45.2978 0.0000 173.3451 84 I 4.3302 7.8267 121.0858 59.6926 38.7631 174.9201 85 S 4.5100 8.3185 119.4284 55.7328 61.6856 171.8059 86 P 4.3672 0.0000 0.0000 62.1447 32.2968 176.2316 87 F 4.1922 7.7827 119.3419 59.8177 40.0357 176.0624 88 H 4.4997 7.8132 116.0294 55.2477 29.4237 175.3185 89 E 4.0391 8.6475 122.8233 59.6152 29.5826 176.0525 90 H 4.8478 7.4942 110.7185 55.8587 31.5219 173.0857 91 A 4.1852 8.6053 120.4044 50.0552 20.7512 174.8955 92 E 4.9369 8.7674 123.4325 54.9522 32.0085 175.5339 93 V 4.4315 9.0341 125.9561 61.3840 34.5020 173.9399 94 V 5.1333 8.5948 128.2999 61.1564 33.4880 174.5391 95 F 5.1121 8.8697 121.4342 56.0953 41.7398 173.0059 96 T 4.8924 8.6874 116.6589 62.6852 69.5521 174.1368 97 A 4.8083 9.2273 127.7928 50.6077 22.5795 173.6915 98 N 5.1004 8.8642 121.7739 51.5756 39.4051 173.8069 99 D 5.2000 6.9855 126.8768 54.1852 41.3914 176.7330 100 S 4.7176 7.8922 115.6586 56.5985 63.1074 173.0899 101 G 4.1777 7.6436 107.1980 42.8337 0.0000 170.4635 102 P 4.7949 0.0000 0.0000 62.3925 31.9922 176.9563 *103 R 4.4851 8.5265 122.3507 54.5421 31.8300 171.0898 104 R 4.8625 8.2980 114.7619 56.3913 33.0579 173.9682 105 Y 5.1468 9.5738 124.4423 56.4715 41.1500 174.6701 106 T 4.8967 8.8526 120.8499 61.9313 71.6070 173.0510 107 I 4.7560 8.9853 128.5207 59.5847 39.2518 174.6492 108 A 5.1756 9.2189 129.5502 50.1687 21.4508 175.2874 109 A 5.1305 9.1661 123.3127 49.9148 22.9477 174.9173 110 L 4.9983 9.2000 123.4865 53.4603 44.7515 175.1620 111 L 5.3632 8.9131 127.0214 53.7877 44.0783 176.1150 112 S 5.0328 9.4719 117.4794 56.3896 67.6942 173.3837 113 P 3.1112 0.0000 0.0000 65.5019 31.0234 178.1441 114 Y 4.5235 7.8022 111.6799 57.1257 38.5332 175.1501 115 S 4.7191 7.8941 113.4470 57.4280 65.7163 172.4582 116 Y 5.6754 7.7551 122.7014 55.8158 40.9789 174.0223 117 S 4.8037 9.3285 115.1847 56.8954 66.6558 172.5271 118 T 5.2063 8.7058 116.7165 60.7157 69.8999 172.8959 119 T 4.8611 9.0820 124.2331 61.6529 72.6419 172.6546 120 A 5.1283 8.6076 125.3742 50.0770 22.2640 175.6868 121 V 4.2516 8.8737 121.2087 61.1047 34.2267 174.3610 122 V 4.6195 8.5390 130.4006 61.9162 33.5781 176.0114 123 T 4.2625 8.3638 120.9805 61.6311 69.6355 170.4391 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 10 C 8.34 4.54 0.00 2.95 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 11 P 0.00 4.33 0.00 1.67 2.19 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 12 L 7.74 5.08 0.00 0.96 1.20 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.62 5.02 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 14 V 8.21 4.92 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 0.83 0.00 0.00 0.91 0.00 0.00 15 K 9.03 5.04 0.00 1.76 1.52 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.32 7.81 16 V 9.00 4.90 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 0.78 0.00 0.00 0.81 0.00 0.00 17 L 8.87 5.15 0.00 1.60 1.51 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.07 5.36 0.00 2.66 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 19 A 9.24 4.14 1.45 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 0.00 0.00 20 V 8.60 3.82 2.64 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 0.97 0.00 0.00 0.96 0.00 0.00 21 R 9.12 4.38 0.00 2.04 2.02 0.00 3.40 0.00 0.00 3.69 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 22 G 8.75 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 0.00 0.00 0.00 23 S 7.46 4.73 0.00 3.88 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 24 P 0.00 4.61 0.00 1.94 2.15 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 25 A 8.79 4.47 0.61 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 0.00 0.00 26 I 8.36 4.33 1.89 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 1.34 0.78 0.96 0.00 0.00 27 N 8.53 4.22 0.00 2.90 2.95 0.00 0.00 6.92 6.97 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 28 V 7.95 4.29 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 0.39 0.00 0.00 0.79 0.00 0.00 29 A 8.54 4.60 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 30 V 8.73 4.81 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 0.94 0.00 0.00 0.92 0.00 0.00 31 H 9.35 5.15 0.00 3.18 2.73 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.93 4.76 2.38 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 1.20 0.00 0.00 0.98 0.00 0.00 33 F 9.67 5.46 0.00 2.88 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 34 R 9.36 4.48 0.00 1.29 1.70 0.00 2.95 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 35 K 9.25 3.56 0.00 0.79 1.40 0.00 0.83 0.00 0.00 1.33 0.00 0.00 2.55 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.01 0.72 7.81 36 A 8.87 4.15 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 37 A 8.44 3.69 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 38 D 7.32 4.69 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.41 4.66 0.00 2.56 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 T 7.25 4.37 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 1.17 0.00 0.00 41 W 8.45 4.99 0.00 3.05 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 42 E 9.22 4.84 0.00 2.02 1.96 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 2.33 2.31 0.00 43 P 0.00 4.44 0.00 1.99 2.02 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 44 F 9.39 4.86 0.00 3.00 3.25 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 45 A 7.75 4.56 1.16 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 0.00 0.00 46 S 7.97 4.81 0.00 3.75 3.59 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 47 G 7.84 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 48 K 8.47 5.28 0.00 1.56 1.64 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 49 T 8.41 4.29 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 1.17 0.00 0.00 50 S 9.14 4.65 0.00 3.98 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 51 E 8.68 3.31 0.00 1.95 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 0.00 2.32 2.39 0.00 52 S 8.10 4.48 0.00 3.81 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 53 G 9.26 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 0.00 0.00 0.00 54 E 7.49 4.95 0.00 1.86 1.65 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 2.14 2.16 0.00 55 L 8.27 4.75 0.00 1.55 1.42 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.58 4.65 0.00 3.25 3.27 0.00 5.88 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 57 G 8.33 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 6.97 3.06 0.00 1.63 1.53 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.81 4.51 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 0.84 0.00 0.00 60 T 7.71 4.67 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 1.26 0.00 0.00 61 E 8.03 3.81 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 2.35 2.38 0.00 62 E 7.47 5.82 0.00 2.00 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 2.26 2.39 0.00 63 Q 8.09 4.42 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 64 F 8.38 4.96 0.00 3.37 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 65 V 8.25 4.95 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 0.81 0.00 0.00 1.05 0.00 0.00 66 E 8.65 4.21 0.00 1.96 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 2.24 2.43 0.00 67 G 7.55 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 68 I 7.24 4.79 1.65 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 1.28 0.85 1.07 0.00 0.00 69 Y 8.77 5.12 0.00 1.83 2.56 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 70 K 9.31 4.86 0.00 0.79 1.04 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.02 7.81 71 V 9.19 4.72 2.23 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 0.95 0.00 0.00 1.16 0.00 0.00 72 E 9.27 5.01 0.00 2.15 1.96 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 2.12 2.07 0.00 73 I 8.70 4.56 1.84 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 1.06 0.59 0.80 0.00 0.00 74 D 9.00 4.91 0.00 2.79 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 75 T 7.80 3.78 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 1.16 0.00 0.00 76 K 8.18 4.01 0.00 2.04 1.91 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.57 1.58 7.81 77 S 8.10 4.19 0.00 3.97 3.92 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 78 Y 7.32 3.88 0.00 2.60 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 79 W 8.01 4.45 0.00 3.55 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 80 K 8.57 4.08 0.00 1.97 1.90 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.53 7.81 81 A 8.01 3.99 1.28 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 82 L 7.49 4.08 0.00 1.43 1.90 0.96 1.07 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 83 G 7.45 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 84 I 7.83 4.33 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.84 0.00 0.00 85 S 8.32 4.51 0.00 3.85 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 86 P 0.00 4.37 0.00 2.26 2.06 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 87 F 7.78 4.19 0.00 1.86 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.81 4.50 0.00 3.33 3.50 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.65 4.04 0.00 1.71 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 2.17 2.13 0.00 90 H 7.49 4.85 0.00 3.18 3.24 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.61 4.19 0.44 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 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.77 4.94 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 2.18 2.15 0.00 93 V 9.03 4.43 2.21 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 0.93 0.00 0.00 0.98 0.00 0.00 94 V 8.59 5.13 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 1.09 0.00 0.00 0.92 0.00 0.00 95 F 8.87 5.11 0.00 3.14 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 96 T 8.69 4.89 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 1.34 0.00 0.00 97 A 9.23 4.81 0.69 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 0.00 0.00 98 N 8.86 5.10 0.00 2.85 2.72 0.00 0.00 6.99 8.59 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 99 D 6.99 5.20 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.89 4.72 0.00 3.85 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 0.00 101 G 7.64 4.18 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 0.00 0.00 0.00 102 P 0.00 4.79 0.00 2.28 2.16 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 *103 R 8.53 4.49 0.00 1.85 1.79 0.00 3.20 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00 104 R 8.30 4.86 0.00 1.80 1.70 0.00 2.96 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 105 Y 9.57 5.15 0.00 2.85 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 0.00 106 T 8.85 4.90 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 1.18 0.00 0.00 107 I 8.99 4.76 1.82 0.00 0.00 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 0.88 0.59 0.87 0.00 0.00 108 A 9.22 5.18 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 0.00 109 A 9.17 5.13 1.17 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 0.00 110 L 9.20 5.00 0.00 1.75 1.58 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.91 5.36 0.00 1.91 2.10 0.52 0.62 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 0.00 112 S 9.47 5.03 0.00 3.83 3.66 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 0.00 0.00 0.00 0.00 113 P 0.00 3.11 0.00 2.20 1.78 0.00 3.28 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.28 0.00 114 Y 7.80 4.52 0.00 2.80 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 0.00 115 S 7.89 4.72 0.00 3.80 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 0.00 116 Y 7.76 5.68 0.00 2.99 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 0.00 117 S 9.33 4.80 0.00 3.88 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 0.00 118 T 8.71 5.21 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 1.31 0.00 0.00 119 T 9.08 4.86 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 0.00 120 A 8.61 5.13 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 0.00 0.00 0.00 0.00 0.00 121 V 8.87 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 0.91 0.00 0.00 122 V 8.54 4.62 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 0.48 0.00 0.00 0.93 0.00 0.00 123 T 8.36 4.26 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 * Residues marked with a * may have inaccurate shift predictions.