NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3082 8.2993 119.9990 56.3625 33.5826 178.5070 2 E 3.9695 8.6389 115.2456 54.2198 30.0921 174.7556 3 T 4.2475 8.5605 113.1550 60.9270 72.4327 176.8033 4 A 4.0437 8.4890 122.6842 55.2912 18.4862 179.7756 5 A 4.1371 8.0087 118.5477 55.3493 18.5664 179.5886 6 A 4.0206 7.9676 119.2660 55.1641 18.4166 179.7885 7 K 4.1677 8.4988 120.0278 59.0177 32.1504 178.8966 8 F 4.1707 8.4900 121.1143 61.2621 39.3290 177.0216 9 E 3.9558 8.3121 117.9353 59.3266 29.0376 179.3646 10 R 3.8632 7.8612 117.6646 59.6433 30.3027 178.3101 11 Q 3.9836 7.9485 116.3598 57.9923 28.9845 176.3337 12 H 4.6447 8.0230 114.5452 54.0953 31.6762 173.3858 13 M 4.6376 7.8016 118.5738 53.9086 33.2005 176.9000 14 D 4.8142 8.7619 122.6806 53.5869 41.7621 175.7186 15 S 4.3644 8.3508 117.2440 60.5206 63.8847 176.1700 16 S 4.2630 8.1680 116.0507 61.5534 62.7778 175.0073 17 T 4.2637 7.7031 115.5124 62.9749 69.0244 174.7735 18 S 4.3864 8.2784 118.3937 59.3668 64.8515 175.1226 *21 S 4.2006 7.6164 114.7322 57.6212 62.5407 172.1884 22 S 4.4098 8.4397 113.8079 57.8850 63.3345 175.0432 23 S 4.4055 8.4968 113.6253 60.0164 63.1841 174.4552 24 N 4.6872 7.9161 118.5274 53.8131 39.2769 175.9297 25 Y 3.9694 7.6377 119.3901 61.4962 38.6323 177.5690 26 C 4.1961 8.7603 116.7236 60.1794 38.6837 175.9827 27 N 4.4267 8.2229 117.4579 56.4196 38.0505 177.3575 28 Q 4.0403 7.9859 119.2767 59.0952 28.9435 178.4762 29 M 3.9807 7.8659 121.2912 58.0095 31.7897 178.7114 30 M 3.9944 8.1703 119.2535 58.0066 31.9899 178.8187 31 K 4.0353 7.7288 121.6944 58.7512 32.6631 179.1245 32 S 4.1623 8.2104 114.6492 60.9789 62.5190 175.5521 33 R 4.3589 7.7901 119.2379 54.9585 30.2422 175.7457 34 N 4.2168 7.9207 114.9374 54.7187 36.1373 174.8133 35 L 4.5531 8.1266 116.2650 55.0558 41.9576 177.9716 36 T 5.4608 7.4961 107.2584 60.1090 69.7640 175.7973 37 K 4.0326 8.4518 124.0538 60.2689 32.5305 177.7365 38 D 4.5965 8.1972 116.7354 56.4184 41.6462 176.5280 39 R 3.9171 7.2595 112.5688 54.7814 31.8520 174.7200 40 C 4.5382 8.6242 116.5674 56.2560 39.5931 173.8223 41 K 4.0733 8.3507 126.9683 56.0784 32.2590 174.3124 42 P 4.5552 0.0000 0.0000 65.5494 31.6128 176.2834 43 V 5.1483 7.4788 109.7002 60.1146 35.9699 173.8826 44 N 4.6361 8.6973 119.1124 53.0535 42.7271 173.2193 45 T 4.8442 7.7864 120.0836 61.5850 72.3782 172.6260 46 F 4.8576 8.9022 124.1508 55.6201 42.2275 174.4722 47 V 4.3198 9.1816 124.1694 61.2528 33.0115 175.8435 48 H 5.7434 8.6628 128.7488 53.7369 26.1837 173.5032 49 E 4.7856 7.6869 117.7961 53.3423 34.5548 176.4325 50 S 4.3808 8.3790 115.0710 58.3395 64.9546 175.0465 51 L 4.0385 8.4971 123.9463 58.1130 41.8967 179.1163 52 A 3.9912 7.9664 120.3744 55.3667 18.2227 179.1404 53 D 4.3492 7.8601 116.0262 57.5112 41.1542 179.0278 54 V 3.7962 7.7595 118.2731 66.1682 31.7303 178.1934 55 Q 3.9513 8.5004 117.8641 58.7797 28.5061 178.5990 56 A 4.0377 8.1730 121.7689 54.8140 18.2554 179.6742 57 V 3.5205 7.6513 116.9213 66.0555 31.2743 177.1436 58 C 3.7954 7.8053 114.8910 58.1576 39.8909 174.2297 59 S 4.6652 7.6017 113.9787 57.9353 63.7623 174.6854 60 Q 4.5688 7.5124 121.7916 55.9037 30.4845 177.3979 61 K 4.0914 7.6221 130.9150 57.2831 33.0240 175.8459 62 N 4.4345 8.7707 127.7019 53.5937 39.4229 174.3717 63 V 4.5888 8.5101 118.5862 59.0384 36.7006 174.9352 64 A 4.1128 8.3860 125.2648 52.2433 19.0033 178.6728 65 C 4.6945 8.8673 120.3757 56.2308 41.0654 175.2742 66 K 3.7134 9.0699 122.1544 59.4103 31.6572 178.0180 67 N 4.5614 8.0789 113.5140 52.8008 37.6132 175.8335 68 G 3.9469 8.1807 108.5998 45.5006 0.0000 174.2960 69 Q 4.1925 8.5704 119.5024 56.2344 29.2293 176.6087 70 T 4.4058 8.2730 108.8529 61.7232 69.4871 174.0688 71 N 4.9407 7.7573 119.6910 53.9654 38.4769 174.9802 72 C 5.3910 7.4301 115.7223 56.6669 44.6918 173.0193 73 Y 5.1460 8.9563 119.1233 56.2909 41.8898 173.9498 74 Q 5.1194 9.2057 125.6284 53.9906 31.4323 174.8429 75 S 4.3705 8.6170 121.9060 58.6278 63.0451 174.3753 76 Y 4.4437 9.1880 122.3560 60.1853 37.9130 176.1262 77 S 5.1384 7.8186 112.4812 56.1916 66.0444 174.2754 78 T 4.2384 8.3412 110.5726 62.0273 69.8891 173.5861 79 M 5.0574 8.9356 121.8689 53.4341 36.9436 174.6163 80 S 5.0008 9.3633 117.6130 58.2960 63.6523 173.0982 81 I 5.1181 9.0132 120.1170 59.5590 41.7257 174.1572 82 T 5.0170 8.8577 119.4950 61.9241 71.9966 172.4264 83 D 4.9439 9.4007 127.1994 53.1952 43.2928 174.1897 84 C 5.5292 9.4488 123.8609 55.2893 41.3136 172.7772 85 R 5.2233 8.6298 124.4596 54.0476 32.6773 174.1401 86 E 4.1162 9.0814 128.5528 56.6898 30.2343 176.8152 87 T 4.2107 8.2267 117.6231 60.9256 70.0740 175.0080 88 G 3.7251 8.6078 110.2482 48.3494 0.0000 175.4868 89 S 4.1579 7.9078 113.0941 59.9500 63.3909 174.3019 90 S 4.0437 7.4308 115.8989 58.3786 62.5540 173.3778 91 K 4.5441 8.4040 126.0373 54.2825 34.9964 175.3466 92 Y 4.3276 8.8113 125.2824 57.4063 39.0596 174.4969 93 P 3.2568 0.0000 0.0000 64.1457 31.7079 177.0549 94 N 4.5610 7.6401 118.6640 52.4850 36.6851 171.7947 95 C 4.6272 8.1465 116.6026 56.3580 42.4668 172.9209 96 A 5.0908 9.0239 127.5857 50.4740 20.8349 175.1126 97 Y 5.1352 9.8677 119.5921 56.0067 42.2655 174.9893 98 K 4.5275 9.1352 123.4480 55.2499 34.0543 175.2832 99 T 4.6343 8.6164 125.0750 63.3721 69.6481 174.5038 100 T 4.5360 8.8139 123.1120 61.7464 71.7784 173.2722 101 Q 4.7237 8.7394 127.7316 55.8993 30.4172 174.2667 102 A 4.4610 8.3754 124.3441 51.6022 23.6680 175.1542 103 N 5.3210 8.8138 116.0031 51.6749 40.8102 174.1399 104 K 4.7524 8.6835 122.0915 54.5459 37.5652 175.5164 105 H 4.8648 8.8667 118.9496 55.7876 29.9317 175.0207 106 I 4.8272 8.5880 115.6619 59.3109 40.7656 174.4269 107 I 4.8572 8.3553 124.1684 59.7108 40.0624 175.0713 108 V 4.7250 8.5821 119.5756 59.3063 35.8754 174.4324 109 A 5.0514 8.8594 125.3909 50.9923 20.6499 175.6554 110 C 5.1163 8.7391 119.2093 55.3286 42.6729 173.1073 111 E 4.5842 8.4494 120.2151 56.4174 34.7263 175.4925 112 G 3.9205 9.2034 109.0244 45.0882 0.0000 171.9379 113 N 5.0701 8.2727 116.0917 50.7247 40.3673 172.1691 114 P 4.3174 0.0000 0.0000 62.6944 31.9539 175.8568 115 Y 4.8487 8.3364 121.5959 57.3414 38.7704 174.6940 116 V 4.4534 8.2732 119.5245 58.3370 36.7064 173.5235 117 P 4.3745 0.0000 0.0000 63.0437 31.0001 176.8718 118 V 4.4571 8.5779 115.8996 61.1590 34.0208 175.2728 119 H 5.0273 7.7667 119.7402 54.8202 33.5010 171.6889 120 F 4.7954 8.7236 127.8919 57.2219 39.4609 174.4390 121 D 4.5418 8.4209 127.1000 56.3245 42.1095 175.6208 122 A 4.5494 6.5332 117.5404 51.5240 22.6212 174.8513 123 S 5.0331 8.7364 112.8396 56.8186 66.0979 174.7623 124 V 4.1366 8.8675 116.1951 61.5015 32.2335 175.4764 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 K 8.30 4.31 0.00 1.89 1.18 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.39 7.81 2 E 8.64 3.97 0.00 2.27 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 2.37 2.38 0.00 3 T 8.56 4.25 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 4 A 8.49 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.01 4.14 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 6 A 7.97 4.02 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 7 K 8.50 4.17 0.00 1.92 2.06 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.32 7.81 8 F 8.49 4.17 0.00 3.18 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 9 E 8.31 3.96 0.00 2.31 2.03 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 0.00 2.50 2.69 0.00 10 R 7.86 3.86 0.00 1.82 2.08 0.00 3.35 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 11 Q 7.95 3.98 0.00 1.64 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 12 H 8.02 4.64 0.00 1.87 2.65 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 13 M 7.80 4.64 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 14 D 8.76 4.81 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.36 0.00 3.93 3.94 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 0.00 0.00 0.00 16 S 8.17 4.26 0.00 3.86 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 17 T 7.70 4.26 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 0.90 0.00 0.00 18 S 8.28 4.39 0.00 3.94 3.95 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 0.00 0.00 0.00 0.00 *21 S 7.62 4.20 0.00 3.74 3.80 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 22 S 8.44 4.41 0.00 4.06 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 S 8.50 4.41 0.00 4.03 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 24 N 7.92 4.69 0.00 2.74 2.89 0.00 0.00 6.45 7.33 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 25 Y 7.64 3.97 0.00 3.13 3.03 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 0.00 0.00 0.00 0.00 26 C 8.76 4.20 0.00 3.15 3.14 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 27 N 8.22 4.43 0.00 2.92 2.92 0.00 0.00 7.14 7.74 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 28 Q 7.99 4.04 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 29 M 7.87 3.98 0.00 0.79 1.21 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.57 0.00 30 M 8.17 3.99 0.00 1.62 1.88 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.39 0.00 31 K 7.73 4.04 0.00 2.02 1.89 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 8.21 4.16 0.00 3.99 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 33 R 7.79 4.36 0.00 1.94 2.12 0.00 3.61 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 34 N 7.92 4.22 0.00 2.89 2.92 0.00 0.00 6.84 7.23 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 35 L 8.13 4.55 0.00 1.78 1.63 0.78 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.50 5.46 4.41 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 1.43 0.00 0.00 37 K 8.45 4.03 0.00 1.78 1.92 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.51 7.81 38 D 8.20 4.60 0.00 2.68 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 39 R 7.26 3.92 0.00 1.72 1.75 0.00 2.89 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 40 C 8.62 4.54 0.00 3.09 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 41 K 8.35 4.07 0.00 1.90 1.81 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.44 7.81 42 P 0.00 4.56 0.00 2.15 2.14 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 43 V 7.48 5.15 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 0.74 0.00 0.00 0.96 0.00 0.00 44 N 8.70 4.64 0.00 2.62 2.28 0.00 0.00 7.15 6.49 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 45 T 7.79 4.84 2.89 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 0.82 0.00 0.00 46 F 8.90 4.86 0.00 2.96 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 47 V 9.18 4.32 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 1.05 0.00 0.00 1.07 0.00 0.00 48 H 8.66 5.74 0.00 3.11 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.69 4.79 0.00 1.95 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 2.26 2.28 0.00 50 S 8.38 4.38 0.00 4.07 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 51 L 8.50 4.04 0.00 1.83 1.74 1.03 1.18 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 52 A 7.97 3.99 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 53 D 7.86 4.35 0.00 2.84 2.79 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 54 V 7.76 3.80 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 1.27 0.00 0.00 1.12 0.00 0.00 55 Q 8.50 3.95 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 56 A 8.17 4.04 1.43 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 0.00 0.00 0.00 57 V 7.65 3.52 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 1.10 0.00 0.00 1.01 0.00 0.00 58 C 7.81 3.80 0.00 2.93 2.79 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 59 S 7.60 4.67 0.00 3.94 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 60 Q 7.51 4.57 0.00 1.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 61 K 7.62 4.09 0.00 1.64 1.68 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 62 N 8.77 4.43 0.00 2.78 2.66 0.00 0.00 7.00 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 63 V 8.51 4.59 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 0.71 0.00 0.00 0.80 0.00 0.00 64 A 8.39 4.11 1.19 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 0.00 0.00 0.00 65 C 8.87 4.69 0.00 3.12 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 66 K 9.07 3.71 0.00 1.74 1.88 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.54 7.81 67 N 8.08 4.56 0.00 2.79 2.90 0.00 0.00 6.26 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 68 G 8.18 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.57 4.19 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 70 T 8.27 4.41 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 1.18 0.00 0.00 71 N 7.76 4.94 0.00 3.13 3.19 0.00 0.00 6.06 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 72 C 7.43 5.39 0.00 3.05 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 73 Y 8.96 5.15 0.00 2.80 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 74 Q 9.21 5.12 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 75 S 8.62 4.37 0.00 3.98 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 76 Y 9.19 4.44 0.00 3.04 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 77 S 7.82 5.14 0.00 3.89 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 78 T 8.34 4.24 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 1.01 0.00 0.00 79 M 8.94 5.06 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 80 S 9.36 5.00 0.00 3.91 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 81 I 9.01 5.12 1.86 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 1.28 0.92 0.99 0.00 0.00 82 T 8.86 5.02 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 1.22 0.00 0.00 83 D 9.40 4.94 0.00 2.68 2.55 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 84 C 9.45 5.53 0.00 2.88 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 85 R 8.63 5.22 0.00 1.86 1.81 0.00 3.14 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 86 E 9.08 4.12 0.00 1.82 1.76 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 2.15 1.98 0.00 87 T 8.23 4.21 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 1.19 0.00 0.00 88 G 8.61 3.73 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 0.00 0.00 0.00 89 S 7.91 4.16 0.00 3.97 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 90 S 7.43 4.04 0.00 3.86 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 91 K 8.40 4.54 0.00 1.79 1.66 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.49 7.81 92 Y 8.81 4.33 0.00 2.89 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 93 P 0.00 3.26 0.00 1.84 1.38 0.00 3.67 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 94 N 7.64 4.56 0.00 2.98 2.77 0.00 0.00 6.88 7.01 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 95 C 8.15 4.63 0.00 3.17 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 96 A 9.02 5.09 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 97 Y 9.87 5.14 0.00 2.81 2.89 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 98 K 9.14 4.53 0.00 1.84 1.84 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.43 7.81 99 T 8.62 4.63 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 1.29 0.00 0.00 100 T 8.81 4.54 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 1.23 0.00 0.00 101 Q 8.74 4.72 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 102 A 8.38 4.46 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 0.00 103 N 8.81 5.32 0.00 2.57 2.75 0.00 0.00 6.67 7.61 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 0.00 104 K 8.68 4.75 0.00 1.74 1.95 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.42 7.81 105 H 8.87 4.86 0.00 3.11 3.20 0.00 5.58 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.59 4.83 1.78 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 1.12 0.00 0.00 107 I 8.36 4.86 1.66 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 1.12 0.69 0.78 0.00 0.00 108 V 8.58 4.73 1.89 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 0.70 0.00 0.00 0.80 0.00 0.00 109 A 8.86 5.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.74 5.12 0.00 1.90 1.76 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 0.00 111 E 8.45 4.58 0.00 1.84 1.82 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 2.26 2.22 0.00 112 G 9.20 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 0.00 0.00 0.00 113 N 8.27 5.07 0.00 2.65 2.71 0.00 0.00 6.91 7.69 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 0.00 114 P 0.00 4.32 0.00 2.23 2.06 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 115 Y 8.34 4.85 0.00 2.83 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 0.00 116 V 8.27 4.45 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 0.62 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.37 0.00 0.61 1.01 0.00 3.39 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 118 V 8.58 4.46 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 0.57 0.00 0.00 0.94 0.00 0.00 119 H 7.77 5.03 0.00 3.24 3.09 0.00 5.85 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 0.00 120 F 8.72 4.80 0.00 2.74 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 0.00 121 D 8.42 4.54 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.53 4.55 1.15 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 0.00 123 S 8.74 5.03 0.00 3.94 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 0.00 124 V 8.87 4.14 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 0.65 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.