NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4365 8.3349 115.4128 57.8295 64.6487 173.8033 2 K 4.1198 8.0784 119.5855 57.1465 32.7066 175.4154 3 T 4.3043 8.3708 116.9809 64.5860 71.4326 174.9830 4 N 4.4425 7.9659 120.1951 52.7887 39.6362 173.5361 5 P 4.2905 0.0000 0.0000 65.5814 31.5060 178.8551 6 R 3.8645 8.5400 117.2997 59.2964 30.2164 178.6637 7 L 4.0487 8.1727 119.5136 58.2890 42.0020 178.9973 8 S 4.0670 8.0570 112.9621 61.4352 62.3092 176.3682 9 S 4.0744 8.1912 118.0381 61.4516 62.6000 176.0656 10 L 3.8615 8.2751 123.4721 58.5818 41.7428 179.1989 11 I 3.7109 7.6833 118.7822 64.3249 37.0129 178.2991 12 A 4.0191 7.7949 121.1281 55.2601 18.3246 179.4933 13 D 4.2682 8.3344 117.7637 57.4457 40.8926 178.8668 14 L 3.8924 8.3273 119.9238 57.6981 41.4623 179.7664 15 K 3.9583 7.9671 117.9823 59.5590 32.1406 179.1017 16 S 4.0321 8.2649 113.1454 61.5313 62.1866 176.5022 17 A 4.0376 7.9935 122.5934 55.0532 18.2497 179.3853 18 A 4.2392 7.9167 117.8400 55.3620 18.4099 179.9088 19 R 4.0770 8.0796 116.1141 60.0909 30.4569 178.7447 20 S 4.1961 7.8543 113.8740 60.9925 62.8677 175.8438 21 S 4.4150 8.1237 116.4155 58.4194 63.5572 175.3414 22 G 3.9809 8.5571 108.4551 45.8223 0.0000 174.3718 23 G 3.7239 7.4472 107.6180 45.2850 0.0000 173.6089 24 A 4.5939 8.0432 121.9100 51.7546 21.4628 179.1168 25 V 3.5055 7.4295 109.2698 64.2383 31.5321 178.4170 26 W 4.8798 7.6466 118.3795 60.1041 28.9969 178.7115 27 G 3.6748 8.2009 105.0325 47.4674 0.0000 175.2745 28 D 4.3159 7.9231 120.0127 57.4032 41.3413 178.5538 29 V 3.6620 8.6694 119.1697 65.7186 31.4717 177.8766 30 A 4.0269 8.2932 120.8833 55.2406 18.0245 179.5033 31 E 3.9740 7.8750 115.5987 59.4285 29.6472 179.2414 32 R 4.0797 7.8791 118.8293 59.1727 29.9244 178.4993 33 L 3.7545 7.8153 118.1557 57.4433 41.6572 178.9199 34 E 4.1593 8.0630 117.9031 57.9620 29.5915 177.7171 35 K 4.2860 6.9884 117.7163 54.8275 33.0264 174.7975 36 P 4.1625 0.0000 0.0000 63.0921 32.0057 177.5983 37 R 3.4429 8.7910 121.2930 59.3167 30.1564 179.1231 38 R 3.9425 7.9118 112.9819 58.9355 29.4233 177.5698 39 T 4.1523 7.8211 107.5832 63.0918 69.3620 174.7161 40 H 4.3497 7.8539 119.2497 55.7722 29.4574 174.3297 41 A 4.4006 8.1816 122.7718 51.7485 20.0633 176.7880 42 E 4.7714 8.7010 120.2444 54.4217 31.2846 174.2813 43 V 4.3997 8.7334 124.1034 61.0972 34.1680 174.6187 44 N 5.9346 8.3995 123.8507 51.2020 40.9629 176.0597 45 L 4.0969 8.6554 119.8457 58.0578 41.1299 179.7847 46 G 3.7717 8.0011 105.2656 48.0845 0.0000 175.5766 47 R 3.9694 7.8299 120.5876 59.0483 30.1737 178.5481 48 I 3.7674 7.7165 119.1954 64.4648 36.9788 177.7467 49 E 3.9319 8.1404 118.9726 59.2911 29.4433 178.6170 50 R 3.8249 7.3453 117.2423 58.6607 30.2313 176.5826 51 Y 4.6606 7.4682 111.8794 57.5631 38.9428 175.4874 52 A 4.6226 7.8310 123.7518 51.2343 20.3024 176.6965 53 Q 4.6119 8.1388 115.7330 54.4096 31.4575 174.2108 54 E 3.8566 8.7293 120.2539 58.4984 29.9552 176.8783 55 D 4.4566 8.9243 119.7886 54.7235 38.2492 173.6040 56 E 4.6832 7.7863 119.9001 54.2165 31.6879 175.2390 57 T 4.1463 8.3787 124.6017 64.1533 69.8811 173.6865 58 V 4.3609 9.0007 127.7479 62.4448 33.0308 174.6900 59 V 4.8027 9.0806 128.7422 61.2785 33.8265 174.2826 60 V 4.8497 9.0905 129.4895 59.1761 32.9345 174.5110 61 P 4.8904 0.0000 0.0000 59.6954 29.7788 174.8265 62 G 4.1634 6.8214 118.1592 46.8395 0.0000 172.6788 63 K 4.8832 9.3662 126.8660 54.2337 35.8242 174.1320 64 V 4.8312 8.3151 125.5686 61.2555 33.7751 174.5574 65 L 5.0096 9.6148 128.1372 52.4695 45.1943 176.3547 66 G 4.0006 8.4933 107.0468 46.9992 0.0000 173.8064 67 S 4.4382 8.1762 117.4031 58.9411 64.3369 175.5098 68 G 4.2290 8.9757 110.4835 44.9318 0.0000 172.1545 69 V 4.3653 7.9060 117.0725 60.6079 33.6845 174.3812 70 L 4.8546 8.4379 127.4035 53.5354 44.1468 175.2324 71 Q 4.4625 10.0778 125.7675 57.1509 30.6062 176.8612 72 K 3.8755 8.2567 115.2664 57.3883 32.9019 176.8021 73 D 5.4572 8.4924 122.7988 52.4738 40.0226 175.1004 74 V 4.7821 7.7899 115.7423 59.3391 36.1213 174.3904 75 T 4.9398 8.3450 118.4627 62.2470 70.4729 173.7005 76 V 4.8714 8.7343 127.1594 61.1482 34.0833 174.3255 77 A 5.9400 9.8938 128.9669 49.4682 21.5377 174.7539 78 A 5.2111 8.3345 122.5079 49.2292 22.9330 176.6353 79 V 3.5425 8.3928 118.5246 66.2379 32.0020 175.7634 80 D 4.5773 7.1426 116.3289 53.4779 44.3611 174.4055 81 F 5.4347 8.8573 121.0716 55.3359 42.6527 175.1904 82 S 4.3620 9.0202 117.1371 58.0315 64.3098 175.6357 83 G 3.6224 8.8102 106.8492 48.2348 0.0000 176.0627 84 T 3.8839 7.9264 117.4695 66.2484 68.4567 176.2006 85 A 4.0123 8.1611 122.6331 55.4520 18.5377 179.2422 86 E 3.6095 8.2674 117.3471 59.5518 29.3039 179.4726 87 T 3.8654 7.4847 114.8135 66.5681 68.7434 176.7336 88 K 4.3842 8.2768 122.1029 58.8349 31.9509 179.6378 89 I 3.7614 8.0430 120.3848 64.5047 36.9846 177.9813 90 D 4.7493 7.4550 117.6943 55.7070 40.9034 178.1714 91 Q 4.1938 7.8909 119.5751 57.7133 28.9122 177.4932 92 V 4.6117 7.7327 110.2611 61.0498 34.5634 174.4587 93 G 4.2885 8.4353 111.3854 44.5666 0.0000 174.3946 94 E 5.1320 9.6854 126.9820 54.5817 33.1992 172.7175 95 A 4.6709 9.3578 129.7175 50.6845 20.2402 176.5462 96 V 4.6072 9.0402 122.3722 60.8206 35.6660 175.3295 97 S 4.8538 8.6463 120.3226 57.7285 64.1442 175.0335 98 L 3.9330 8.1705 123.3948 58.1936 41.5686 179.3517 99 E 3.8452 8.0286 118.3545 59.0597 29.3067 179.1281 100 Q 3.8835 8.0234 118.0829 58.7040 28.8877 177.8664 101 A 4.0301 7.8902 121.7694 55.7579 18.1819 179.5839 102 I 3.0736 7.0682 116.4289 64.2584 37.0855 177.7451 103 E 4.1731 7.2663 118.5416 58.8015 29.8695 177.6412 104 N 4.6658 8.3294 114.1578 54.2943 40.3357 175.3726 105 N 5.0723 8.1360 118.3263 52.1343 40.4748 173.1651 106 P 4.8269 0.0000 0.0000 65.3544 31.6852 177.9144 107 E 4.1249 8.5724 117.6747 56.3760 30.3443 175.7419 108 G 3.6779 8.1627 107.3754 46.2457 0.0000 172.6998 109 S 4.5902 8.1584 112.0480 57.7649 66.4176 174.4948 110 H 3.9910 8.4866 116.5953 57.3231 25.8200 174.8023 111 V 4.7512 7.4088 116.3484 59.8460 34.7306 175.9439 112 R 4.5266 9.0223 124.9198 54.4489 32.2090 174.7033 113 V 4.4733 8.3784 126.9552 62.5875 32.4763 175.0632 114 I 4.8132 8.8289 128.3951 59.4335 41.0071 176.0170 115 R 4.1720 8.3698 121.3766 56.5444 29.3515 174.7388 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 S 8.33 4.44 0.00 3.99 4.03 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 2 K 8.08 4.12 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.37 4.30 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 4 N 7.97 4.44 0.00 2.75 2.71 0.00 0.00 7.24 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 5 P 0.00 4.29 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.54 3.86 0.00 1.92 1.96 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 7 L 8.17 4.05 0.00 1.75 1.82 0.92 0.69 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 8 S 8.06 4.07 0.00 4.06 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 9 S 8.19 4.07 0.00 4.00 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 10 L 8.28 3.86 0.00 1.66 1.82 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.68 3.71 2.04 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 1.45 0.97 0.91 0.00 0.00 12 A 7.79 4.02 1.37 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 0.00 0.00 0.00 13 D 8.33 4.27 0.00 2.76 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 14 L 8.33 3.89 0.00 1.81 1.97 0.91 0.49 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 15 K 7.97 3.96 0.00 2.04 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.26 4.03 0.00 3.89 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 17 A 7.99 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 18 A 7.92 4.24 1.51 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 0.00 0.00 19 R 8.08 4.08 0.00 1.82 2.01 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 20 S 7.85 4.20 0.00 3.94 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 21 S 8.12 4.41 0.00 4.28 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 22 G 8.56 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 0.00 0.00 0.00 23 G 7.45 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.04 4.59 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 0.00 0.00 25 V 7.43 3.51 1.61 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 0.63 0.00 0.00 -0.32 0.00 0.00 26 W 7.65 4.88 0.00 3.34 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 27 G 8.20 3.67 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 0.00 0.00 0.00 28 D 7.92 4.32 0.00 3.07 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 29 V 8.67 3.66 2.29 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 1.01 0.00 0.00 1.18 0.00 0.00 30 A 8.29 4.03 1.44 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 31 E 7.88 3.97 0.00 2.13 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 2.36 2.43 0.00 32 R 7.88 4.08 0.00 1.87 2.03 0.00 3.33 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.82 3.75 0.00 1.79 1.68 0.89 0.64 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 34 E 8.06 4.16 0.00 2.13 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 2.36 2.49 0.00 35 K 6.99 4.29 0.00 1.96 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.65 7.81 36 P 0.00 4.16 0.00 2.15 1.99 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 37 R 8.79 3.44 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 38 R 7.91 3.94 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.82 4.15 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 1.21 0.00 0.00 40 H 7.85 4.35 0.00 3.30 3.26 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 41 A 8.18 4.40 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 42 E 8.70 4.77 0.00 1.81 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 2.20 2.28 0.00 43 V 8.73 4.40 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 1.01 0.00 0.00 0.93 0.00 0.00 44 N 8.40 5.93 0.00 2.70 2.98 0.00 0.00 7.62 6.74 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 45 L 8.66 4.10 0.00 1.98 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.00 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 0.00 0.00 0.00 47 R 7.83 3.97 0.00 1.92 1.99 0.00 3.24 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 48 I 7.72 3.77 2.03 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 1.59 0.56 0.97 0.00 0.00 49 E 8.14 3.93 0.00 1.97 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 0.00 2.41 2.32 0.00 50 R 7.35 3.82 0.00 1.69 1.42 0.00 2.41 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.28 0.00 51 Y 7.47 4.66 0.00 3.04 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 52 A 7.83 4.62 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 53 Q 8.14 4.61 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 54 E 8.73 3.86 0.00 1.98 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 2.55 2.37 0.00 55 D 8.92 4.46 0.00 2.85 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 56 E 7.79 4.68 0.00 1.92 2.06 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 2.23 2.39 0.00 57 T 8.38 4.15 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 1.37 0.00 0.00 58 V 9.00 4.36 2.16 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.08 4.80 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 1.14 0.00 0.00 1.15 0.00 0.00 60 V 9.09 4.85 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 1.15 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.89 0.00 2.13 2.22 0.00 3.98 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 2.05 1.97 0.00 62 G 6.82 4.16 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 0.00 63 K 9.37 4.88 0.00 1.68 1.56 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.35 7.81 64 V 8.32 4.83 2.07 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 1.09 0.00 0.00 0.80 0.00 0.00 65 L 9.61 5.01 0.00 1.77 1.54 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.49 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 67 S 8.18 4.44 0.00 4.02 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 68 G 8.98 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 0.00 0.00 0.00 0.00 69 V 7.91 4.37 2.07 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.44 4.85 0.00 1.59 1.51 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.08 4.46 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.26 3.88 0.00 1.75 1.78 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.83 7.81 73 D 8.49 5.46 0.00 2.85 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 74 V 7.79 4.78 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 0.80 0.00 0.00 0.97 0.00 0.00 75 T 8.35 4.94 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 1.27 0.00 0.00 76 V 8.73 4.87 2.32 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 1.13 0.00 0.00 1.03 0.00 0.00 77 A 9.89 5.94 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 78 A 8.33 5.21 0.60 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 0.00 0.00 79 V 8.39 3.54 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.14 4.58 0.00 2.76 2.37 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 0.00 81 F 8.86 5.43 0.00 2.86 2.95 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 82 S 9.02 4.36 0.00 3.94 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 83 G 8.81 3.62 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 0.00 0.00 0.00 84 T 7.93 3.88 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 85 A 8.16 4.01 1.52 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 86 E 8.27 3.61 0.00 1.98 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 2.17 2.01 0.00 87 T 7.48 3.87 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 1.20 0.00 0.00 88 K 8.28 4.38 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 89 I 8.04 3.76 1.79 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.89 0.00 0.00 90 D 7.46 4.75 0.00 2.59 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 91 Q 7.89 4.19 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.70 0.00 92 V 7.73 4.61 2.24 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 0.87 0.00 0.00 0.98 0.00 0.00 93 G 8.44 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 0.00 0.00 0.00 0.00 94 E 9.69 5.13 0.00 2.01 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 2.16 2.23 0.00 95 A 9.36 4.67 0.53 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 0.00 0.00 96 V 9.04 4.61 2.26 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 1.03 0.00 0.00 0.94 0.00 0.00 97 S 8.65 4.85 0.00 4.09 4.03 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 98 L 8.17 3.93 0.00 1.82 1.57 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.03 3.85 0.00 2.05 1.92 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 2.35 2.37 0.00 100 Q 8.02 3.88 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.89 4.03 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 0.00 102 I 7.07 3.07 1.68 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 -0.16 0.65 0.00 0.00 103 E 7.27 4.17 0.00 2.03 2.06 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 2.29 2.33 0.00 104 N 8.33 4.67 0.00 2.77 2.89 0.00 0.00 6.81 8.29 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 0.00 105 N 8.14 5.07 0.00 2.90 2.87 0.00 0.00 6.81 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 0.00 106 P 0.00 4.83 0.00 2.32 2.34 0.00 3.90 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 107 E 8.57 4.12 0.00 2.13 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 0.00 2.41 2.39 0.00 108 G 8.16 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 0.00 109 S 8.16 4.59 0.00 3.99 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 0.00 110 H 8.49 3.99 0.00 3.36 3.38 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.41 4.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.87 0.00 0.00 112 R 9.02 4.53 0.00 2.18 1.83 0.00 3.12 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 113 V 8.38 4.47 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 0.87 0.00 0.00 0.89 0.00 0.00 114 I 8.83 4.81 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.13 0.99 0.00 0.00 115 R 8.37 4.17 0.00 1.85 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00