NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2997 8.2993 121.7899 55.7362 32.8417 177.3907 2 E 4.5359 8.9170 108.5328 52.1104 32.9764 174.2232 3 T 4.2542 8.6076 112.3353 61.0864 72.1505 176.6123 4 A 3.9887 8.4794 122.7383 55.2142 18.3704 179.8461 5 A 4.1245 7.9814 118.6665 55.3088 18.5548 179.5597 6 A 4.0015 8.0934 119.4098 55.1679 18.3707 179.7957 7 K 3.9095 8.4302 118.4494 59.4483 32.2091 178.8419 8 F 4.1141 8.3737 121.0334 61.3689 39.3461 176.9466 9 E 4.0045 8.3771 118.2122 59.4468 29.0541 179.3861 10 R 3.8796 7.9186 117.5981 59.5954 30.2566 178.2647 11 Q 3.9421 8.1275 116.9685 58.0044 29.0017 176.3010 12 H 4.7140 8.0565 114.2369 54.0178 31.4791 173.3335 13 M 4.6896 7.8220 118.7446 53.7200 33.3145 176.9482 14 D 4.8414 8.7812 122.4179 53.7638 41.5850 175.9827 15 S 4.4398 8.2213 116.6693 60.9953 63.1059 175.6187 16 S 4.2721 7.3488 116.8980 61.0042 63.4282 178.0457 17 T 4.1078 7.4617 122.9596 63.0002 70.6286 173.2130 *22 S 4.2884 8.2486 116.6101 58.9001 63.9650 173.9659 23 S 4.3532 8.5608 113.0658 59.8517 63.3667 174.0172 24 N 4.8033 7.8809 119.3802 53.4347 39.6884 175.1116 25 Y 4.0605 7.7816 119.1267 62.2086 38.6393 177.6160 26 C 4.2176 8.5451 116.9144 60.0426 38.5627 175.8717 27 N 4.4013 8.2178 117.5836 56.3869 38.1140 177.3360 28 Q 3.9767 7.8537 118.8282 59.1040 28.9480 178.3836 29 M 3.6669 7.8575 119.9673 58.5896 31.7577 178.8226 30 M 4.0021 8.0724 118.9516 57.8805 31.9382 178.8211 31 K 4.0338 7.3568 121.5686 58.6958 32.2979 178.9781 32 S 4.0451 8.0800 114.4543 61.7998 62.7883 175.5728 33 R 4.2578 8.0770 116.1218 55.7108 29.6984 175.9709 34 N 4.2124 7.7174 114.1905 54.6170 36.0499 174.8408 35 L 4.5203 8.1655 116.4748 55.1691 42.1102 177.8518 36 T 5.4743 7.4271 108.5261 60.3303 69.4808 176.3723 37 K 4.0819 8.4588 123.4881 60.5574 32.5918 177.5288 38 D 4.5614 8.0353 116.9577 56.3504 41.5669 176.1327 39 R 3.4510 7.1987 113.1067 55.1805 31.8676 174.1568 40 C 4.9287 8.3885 115.9362 55.3203 39.7101 173.8887 41 K 4.0494 8.2884 126.3436 56.1226 32.2985 174.3144 42 P 4.5819 0.0000 0.0000 65.5046 31.6761 176.3484 43 V 5.1449 7.5225 109.0602 60.3264 36.0225 173.4609 44 N 4.7078 8.7115 119.2946 53.1379 42.9293 173.1994 45 T 4.8340 7.6922 118.4669 61.6145 72.6625 172.7016 46 F 4.8568 9.0293 124.5135 55.6201 42.0777 174.5283 47 V 4.3769 9.0909 123.9621 61.5208 33.2584 175.3552 48 H 5.8792 8.7811 124.2818 55.3019 29.2377 175.2029 49 E 4.4642 8.0290 118.9652 54.8856 31.1634 176.5891 50 S 4.4000 8.2285 114.9201 58.2005 65.0200 174.9026 51 L 4.0168 8.5168 124.0018 58.2489 41.8354 179.1211 52 A 4.0003 7.9745 120.2493 55.3585 18.2005 179.1460 53 D 4.3302 7.7968 115.8760 57.5093 41.1590 179.0152 54 V 3.8001 7.8121 118.4031 66.1531 31.6827 178.1837 55 Q 3.9399 8.5700 117.9818 58.7857 28.4986 178.6111 56 A 4.0476 8.2259 121.7332 54.7502 18.2695 179.6780 57 V 3.5445 7.6607 116.9724 66.0127 31.2865 177.1181 58 C 3.7953 7.8213 115.1182 58.1611 39.8636 174.2343 59 S 4.6931 7.5480 114.1776 57.9305 63.7588 174.8486 60 Q 4.4314 7.5286 122.3648 55.9904 27.5602 177.1673 61 K 4.1379 7.5535 129.3606 57.1765 32.9979 175.9571 62 N 4.4017 8.7757 127.6971 53.6329 39.4601 174.3747 63 V 4.5872 8.4635 118.6137 59.0956 36.6850 174.9631 64 A 4.1186 8.3940 125.2425 52.2664 19.0342 178.6268 65 C 4.6913 8.9888 119.8981 56.1504 41.1276 175.2535 66 K 3.6976 8.9117 122.1863 59.4966 31.6534 178.0409 67 N 4.5428 8.0075 113.2952 52.9108 37.7450 175.6422 68 G 3.9894 8.1586 108.3490 45.6024 0.0000 174.3643 69 Q 4.1879 8.4617 119.1172 56.3111 29.1964 176.6309 70 T 4.3747 8.2785 108.5781 61.7157 69.4570 174.0953 71 N 4.9737 7.7642 119.6915 53.9123 38.4342 175.0008 72 C 5.3726 7.4344 115.6073 56.7127 44.7432 173.0197 73 Y 5.1402 9.0223 118.8728 56.3234 41.9942 173.9198 74 Q 5.1212 9.0982 125.1784 54.0071 31.4923 174.8727 75 S 4.4462 8.5949 121.6432 58.6096 63.1619 174.3563 76 Y 4.4805 9.0847 121.6549 60.1262 37.9450 176.3095 77 S 4.9582 7.7852 112.3469 55.9491 65.8466 173.6422 78 T 4.1325 8.1166 111.3538 62.1585 69.7208 173.4172 79 M 5.0148 9.1252 122.0645 53.3796 36.5800 174.7843 80 S 4.9659 9.1840 117.7248 58.3833 63.5399 173.0665 81 I 5.1697 9.1017 120.3503 59.5582 41.8077 174.1382 82 T 4.9994 8.8179 118.9008 61.9190 72.0448 172.4959 83 D 5.1759 9.3949 126.8604 53.0164 43.5123 174.1562 84 C 5.5627 9.4776 123.4944 55.2460 38.7112 172.8136 85 R 5.1089 8.8076 123.5278 54.1112 32.8959 173.9615 86 E 4.1447 9.1102 128.5792 56.6831 30.2673 176.9327 87 T 4.2133 8.1949 117.7395 61.0548 70.3984 174.6024 88 G 3.7604 8.6235 109.5660 48.2489 0.0000 175.5820 89 S 4.1427 7.9324 113.3371 60.1961 63.2598 174.4983 90 S 4.0037 7.4350 116.7881 58.4230 62.3727 173.5771 91 K 4.4739 8.6762 126.4444 54.5660 35.1165 175.2714 92 Y 4.3864 8.7843 125.5157 57.5521 39.0459 174.1293 93 P 3.5289 0.0000 0.0000 63.1018 32.0679 177.0399 94 N 4.6575 8.0023 119.9590 52.2874 36.9939 172.2973 95 C 4.5913 8.0825 116.4110 56.4133 42.7206 173.0134 96 A 5.0219 8.6299 127.2761 50.4578 20.8700 175.1264 97 Y 5.1872 9.5562 119.2064 56.0199 42.3616 174.9399 98 K 4.5216 9.3037 124.0341 55.4361 33.9756 175.1828 99 T 4.9931 8.5938 124.6287 62.9525 70.0344 174.4687 100 T 4.5698 8.7150 122.5766 61.8439 72.1871 172.9566 101 Q 4.7738 8.7859 127.8841 55.6934 30.3906 174.2979 102 A 4.5571 8.6997 125.5224 51.4328 23.6671 175.0226 103 N 5.3634 8.7319 115.8399 51.6986 40.9462 174.1201 104 K 4.7726 8.6727 121.9906 54.6102 37.6259 175.5936 105 H 4.8390 9.2320 119.0779 55.8154 29.9871 174.9713 106 I 4.8676 8.5462 115.2056 59.2712 40.7993 174.4195 107 I 4.8920 8.1866 124.3339 59.7252 40.1727 175.0481 108 V 4.7466 8.6147 119.4953 59.3275 35.9407 174.4330 109 A 5.0878 8.7992 125.1600 50.9945 20.7166 175.6785 110 C 5.1638 8.7057 118.8638 55.3869 38.9094 173.1736 111 E 4.6561 8.5904 119.6672 56.5061 34.6016 175.6872 112 G 4.1182 9.4540 108.5565 45.0570 0.0000 171.9112 113 N 5.0473 8.2102 116.0312 50.6967 40.3546 172.1385 114 P 4.2935 0.0000 0.0000 62.7621 31.9021 175.8562 115 Y 4.8854 8.3497 121.7942 57.3663 38.7992 174.6374 116 V 4.4416 8.1637 119.4032 58.3008 36.6623 173.5020 117 P 4.4222 0.0000 0.0000 62.9092 31.1144 176.9031 118 V 4.4672 8.3893 115.9366 61.0555 33.7764 175.2257 119 H 4.9475 7.7563 119.8831 55.0920 33.4073 171.7815 120 F 4.6409 8.8551 128.5737 57.5143 39.3076 174.4008 121 D 4.5233 8.4223 127.0980 56.3281 42.0028 175.6440 122 A 4.5799 6.5284 117.4742 51.4943 22.6439 174.8383 123 S 5.0897 8.7813 113.0664 56.7923 65.8409 174.7512 124 V 4.1428 8.9580 116.6573 61.4752 32.3514 175.4651 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 4.30 0.00 1.74 1.44 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.92 4.54 0.00 2.16 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 2.19 2.38 0.00 3 T 8.61 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 1.22 0.00 0.00 4 A 8.48 3.99 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 7.98 4.12 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 6 A 8.09 4.00 1.41 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 0.00 0.00 7 K 8.43 3.91 0.00 1.96 2.04 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 8 F 8.37 4.11 0.00 3.18 3.26 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 9 E 8.38 4.00 0.00 2.30 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 2.51 2.70 0.00 10 R 7.92 3.88 0.00 1.81 2.08 0.00 3.37 0.00 0.00 3.22 7.56 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 8.13 3.94 0.00 1.59 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 12 H 8.06 4.71 0.00 1.91 2.69 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 7.82 4.69 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 14 D 8.78 4.84 0.00 2.80 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 15 S 8.22 4.44 0.00 3.93 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 16 S 7.35 4.27 0.00 3.87 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 17 T 7.46 4.11 4.64 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 0.00 0.00 0.00 1.25 0.00 0.00 *22 S 8.25 4.29 0.00 4.05 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 23 S 8.56 4.35 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 7.88 4.80 0.00 2.78 2.82 0.00 0.00 6.66 7.43 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 25 Y 7.78 4.06 0.00 3.13 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 26 C 8.55 4.22 0.00 3.16 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 27 N 8.22 4.40 0.00 3.05 2.92 0.00 0.00 7.16 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 7.85 3.98 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 29 M 7.86 3.67 0.00 0.78 1.19 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.68 0.00 30 M 8.07 4.00 0.00 1.68 1.89 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.43 0.00 31 K 7.36 4.03 0.00 2.11 1.92 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.34 7.81 32 S 8.08 4.05 0.00 3.85 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 33 R 8.08 4.26 0.00 1.84 2.07 0.00 3.61 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 34 N 7.72 4.21 0.00 2.89 2.91 0.00 0.00 6.86 7.99 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 35 L 8.17 4.52 0.00 1.75 1.62 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.43 5.47 4.44 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 1.44 0.00 0.00 37 K 8.46 4.08 0.00 1.78 1.91 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.51 7.81 38 D 8.04 4.56 0.00 2.65 2.63 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 0.00 0.00 0.00 0.00 39 R 7.20 3.45 0.00 1.69 1.70 0.00 2.87 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 40 C 8.39 4.93 0.00 3.09 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 41 K 8.29 4.05 0.00 1.91 1.78 0.00 1.78 0.00 0.00 1.60 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.43 7.81 42 P 0.00 4.58 0.00 2.15 2.15 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 43 V 7.52 5.14 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 0.72 0.00 0.00 0.96 0.00 0.00 44 N 8.71 4.71 0.00 2.60 2.28 0.00 0.00 7.23 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 7.69 4.83 2.91 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 0.00 0.00 0.84 0.00 0.00 46 F 9.03 4.86 0.00 2.97 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 47 V 9.09 4.38 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 1.13 0.00 0.00 1.05 0.00 0.00 48 H 8.78 5.88 0.00 3.08 3.28 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.03 4.46 0.00 2.01 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 2.32 2.28 0.00 50 S 8.23 4.40 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 8.52 4.02 0.00 1.83 1.74 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.97 4.00 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 7.80 4.33 0.00 2.87 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 7.81 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 1.11 0.00 0.00 55 Q 8.57 3.94 0.00 2.27 2.10 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 2.34 2.54 0.00 56 A 8.23 4.05 1.42 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 0.00 0.00 0.00 57 V 7.66 3.54 2.12 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 1.07 0.00 0.00 1.02 0.00 0.00 58 C 7.82 3.80 0.00 2.90 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 59 S 7.55 4.69 0.00 3.95 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 7.53 4.43 0.00 1.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 61 K 7.55 4.14 0.00 1.68 1.68 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 62 N 8.78 4.40 0.00 2.79 2.67 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 8.46 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 0.84 0.00 0.00 64 A 8.39 4.12 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 8.99 4.69 0.00 3.10 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 8.91 3.70 0.00 1.86 1.89 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 67 N 8.01 4.54 0.00 2.81 2.91 0.00 0.00 6.31 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 8.16 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 69 Q 8.46 4.19 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 70 T 8.28 4.37 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 1.18 0.00 0.00 71 N 7.76 4.97 0.00 3.12 3.19 0.00 0.00 6.07 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 5.37 0.00 3.04 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 9.02 5.14 0.00 2.78 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 9.10 5.12 0.00 1.98 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 2.20 2.22 0.00 75 S 8.59 4.45 0.00 3.98 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 76 Y 9.08 4.48 0.00 3.06 3.01 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 77 S 7.79 4.96 0.00 3.98 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 78 T 8.12 4.13 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 1.05 0.00 0.00 79 M 9.13 5.01 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 2.53 2.48 0.00 80 S 9.18 4.97 0.00 3.94 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 81 I 9.10 5.17 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.98 0.00 0.00 82 T 8.82 5.00 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 83 D 9.39 5.18 0.00 2.76 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 9.48 5.56 0.00 2.87 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 85 R 8.81 5.11 0.00 1.95 1.80 0.00 3.13 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 1.60 0.00 86 E 9.11 4.14 0.00 1.97 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 2.15 1.96 0.00 87 T 8.19 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 8.62 3.76 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 0.00 0.00 0.00 89 S 7.93 4.14 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 7.44 4.00 0.00 3.78 3.87 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 91 K 8.68 4.47 0.00 1.79 1.66 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.50 7.81 92 Y 8.78 4.39 0.00 2.88 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 93 P 0.00 3.53 0.00 1.83 1.23 0.00 3.62 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 94 N 8.00 4.66 0.00 2.94 2.77 0.00 0.00 7.02 8.30 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 95 C 8.08 4.59 0.00 3.18 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 96 A 8.63 5.02 1.14 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 0.00 0.00 97 Y 9.56 5.19 0.00 2.91 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 98 K 9.30 4.52 0.00 1.83 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 T 8.59 4.99 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 1.28 0.00 0.00 100 T 8.71 4.57 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 8.79 4.77 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 102 A 8.70 4.56 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 8.73 5.36 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 8.67 4.77 0.00 1.74 1.95 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.43 7.81 105 H 9.23 4.84 0.00 3.16 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.55 4.87 1.82 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 1.12 0.00 0.00 107 I 8.19 4.89 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 0.72 0.78 0.00 0.00 108 V 8.61 4.75 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 0.68 0.00 0.00 0.80 0.00 0.00 109 A 8.80 5.09 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 0.00 110 C 8.71 5.16 0.00 1.79 1.85 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 0.00 111 E 8.59 4.66 0.00 1.84 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 2.27 2.22 0.00 112 G 9.45 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 0.00 0.00 0.00 113 N 8.21 5.05 0.00 2.63 2.70 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 4.29 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.35 4.89 0.00 2.80 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 8.16 4.44 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 0.73 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.42 0.00 0.49 1.01 0.00 3.34 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 118 V 8.39 4.47 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 0.59 0.00 0.00 0.95 0.00 0.00 119 H 7.76 4.95 0.00 3.26 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.86 4.64 0.00 2.60 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 0.00 121 D 8.42 4.52 0.00 2.60 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 0.00 122 A 6.53 4.58 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 0.00 123 S 8.78 5.09 0.00 3.95 4.09 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 0.00 0.00 0.00 124 V 8.96 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 0.70 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.