NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.6333 8.4293 120.3924 55.3189 30.5344 175.1380 6 E 4.5615 8.8477 109.4032 52.5131 32.2536 174.5795 7 T 4.1846 8.9552 111.3347 61.4969 71.8539 176.2876 8 D 4.4112 8.5698 121.4886 57.7066 40.8473 178.9556 9 E 4.0701 8.1921 118.5988 59.4871 29.5366 179.1032 10 E 4.0662 8.0155 117.3834 58.9976 29.6271 179.1942 11 F 4.1900 8.3024 120.5142 61.4140 39.4859 176.7831 12 D 4.5642 8.6032 118.4091 57.5817 40.6295 178.7334 13 A 4.0389 8.2268 121.0012 55.4399 18.5138 179.8791 14 R 3.7295 7.9308 116.3708 59.1826 30.0968 179.3332 15 W 3.9855 7.9940 118.3488 59.1576 29.0713 179.0000 16 V 3.8071 8.2830 118.7040 66.4048 30.8220 178.0580 17 T 3.8705 7.9195 114.3605 66.8214 68.4538 175.5065 18 Y 3.9623 7.6535 120.7404 60.8209 38.6218 178.1381 19 F 4.6871 8.0590 116.0415 59.4835 39.2709 176.5749 20 N 4.8411 7.8923 114.6382 52.2268 38.9868 174.9662 21 K 3.8961 7.3050 122.3580 55.9942 32.5782 174.9138 22 P 4.2133 0.0000 0.0000 65.8997 31.2479 177.4657 23 D 4.7875 7.7898 114.4982 53.0881 39.8378 176.1241 24 I 3.7277 7.5067 120.6688 62.2009 38.4475 175.8860 25 D 4.8252 8.7323 127.6836 51.9070 42.6181 177.3390 26 A 4.0604 8.4671 120.3391 55.0977 18.1878 179.4643 27 W 4.0418 8.3738 126.3050 60.8430 30.9438 177.9766 28 E 4.3431 9.5024 118.9457 59.1305 28.8043 179.2329 29 L 4.3035 8.0322 120.6676 58.4236 42.2598 179.2827 30 R 3.9060 8.0808 118.0418 59.0229 29.9598 178.9262 31 K 3.7195 8.1419 120.0153 59.2099 31.9879 179.0995 32 G 3.7863 8.4032 105.8982 48.2654 0.0000 175.6666 33 M 4.1195 8.3318 121.8156 58.1555 31.7919 178.7245 34 N 4.3058 8.3588 115.7681 56.3449 38.9134 177.4387 35 T 3.9053 7.8420 117.3083 66.3150 68.6194 176.6632 36 L 3.3765 7.7611 122.9390 58.0085 42.0600 178.8041 37 V 3.8441 7.3946 109.0015 62.3682 31.4692 177.1079 38 G 3.5776 7.3621 108.9312 47.0871 0.0000 174.1808 39 Y 4.5835 6.8955 117.0771 57.7185 38.8891 175.7959 40 D 4.6402 8.2767 122.7362 51.1491 39.7020 175.0251 41 L 4.2886 7.0324 119.2700 55.0008 42.8100 174.5994 42 V 4.2468 8.2280 119.8170 60.2907 32.6783 173.9782 43 P 4.4316 0.0000 0.0000 62.4026 32.0701 176.1670 44 E 4.2109 8.7791 121.1342 56.0647 30.2835 176.3424 45 P 4.2830 0.0000 0.0000 65.7677 31.2583 179.1485 46 K 4.0774 8.0814 117.0956 60.0399 32.4437 179.2390 47 I 3.9391 7.8847 121.0020 64.2490 37.0138 178.3965 48 I 3.6071 7.7031 120.2586 64.1484 36.9284 177.4953 49 D 4.2715 8.5065 119.1445 57.5783 41.1052 178.2245 50 A 4.1497 7.9285 120.3370 55.3535 18.3749 179.5092 51 A 3.5641 7.8957 119.1354 54.9613 18.2792 179.8911 52 L 3.8810 8.1180 117.9494 57.9972 41.6110 179.9780 53 R 3.9716 8.1066 117.9091 59.0519 29.9579 178.9396 54 A 4.0530 7.9730 120.6766 55.2552 18.2985 179.4568 55 C 4.1046 8.0170 115.4363 62.7971 28.0736 176.2441 56 R 3.8995 7.8927 120.2567 59.7183 29.5549 178.9128 57 R 3.9604 8.0569 116.1621 58.4954 30.0581 177.9978 58 L 4.4669 7.6317 116.4032 53.2643 42.3616 175.8705 59 N 4.1515 8.2184 115.7244 54.7444 36.6073 174.9348 60 D 4.8202 8.2370 118.1644 52.1688 41.8656 175.3947 61 F 4.2667 8.7192 127.7911 60.7600 39.6679 176.1969 62 A 3.9997 8.2257 120.0073 55.6139 18.1578 179.7111 63 S 4.0593 8.9819 113.5186 61.3743 62.6614 176.7976 64 A 3.8418 7.5223 123.3050 55.0284 18.0935 179.8936 65 V 3.3442 7.1311 116.2624 65.9661 31.6419 177.9813 66 R 4.3645 7.7565 119.8369 59.0043 29.9689 178.5478 67 I 3.6380 7.7907 119.5729 64.3439 37.0386 178.4492 68 L 4.1175 7.6161 119.9467 57.6868 41.4158 179.3777 69 E 3.8552 8.1909 118.9936 59.2783 29.2964 179.7683 70 V 3.6255 7.9680 119.3388 64.6016 31.2175 178.6978 71 V 3.5596 7.4326 117.9368 65.6381 31.7576 177.6438 72 K 3.9885 7.7743 119.1095 59.2854 31.9318 178.2957 73 D 4.2590 8.0718 118.3608 57.3633 40.9876 178.4229 74 K 4.0625 8.1379 117.2431 58.7371 32.2785 178.4740 75 A 4.2399 8.1134 120.2893 51.3004 18.6504 178.7501 76 G 3.7203 8.4085 105.8521 46.2597 0.0000 175.2557 77 P 4.3690 0.0000 0.0000 64.4712 31.8086 176.7876 78 H 4.6127 7.9279 118.3787 54.3249 26.8024 175.7407 79 K 4.0406 8.2285 122.8370 58.8275 32.2764 177.9033 80 E 4.3302 8.1346 115.1084 57.2945 30.6455 178.5759 81 I 3.7925 7.9649 121.7127 64.6502 37.3383 177.2151 82 Y 4.2747 8.0842 119.8072 60.4960 38.6609 176.1498 83 P 4.1295 0.0000 0.0000 65.7467 31.3355 177.9711 84 Y 4.0229 7.5978 118.2045 60.6068 38.7433 178.1128 85 V 3.2800 7.9268 119.1797 66.0264 31.4455 178.0617 86 I 3.4610 7.4723 118.7636 64.0733 37.0750 177.8884 87 Q 3.9571 7.6705 120.4560 59.4120 28.7312 178.4335 88 E 3.8589 7.7806 118.2968 58.5277 29.7099 178.3900 89 L 4.3621 7.5807 117.2513 54.3409 42.0362 178.0348 90 R 3.8171 7.5295 120.1589 59.2252 29.8490 176.2037 91 P 4.2196 0.0000 0.0000 66.0845 31.2973 178.7553 92 T 3.8932 7.7953 113.8446 66.5904 68.3394 176.6582 93 L 3.9929 8.3639 121.3874 57.6931 41.3557 179.4236 94 N 4.2955 8.3429 116.5040 56.2540 38.3526 176.7731 95 E 3.9673 8.1774 119.9808 59.4413 29.6401 178.1401 96 L 4.1851 8.1221 115.8840 55.0908 41.9836 177.3987 97 G 3.8022 7.6193 106.5379 46.4782 0.0000 173.7401 98 I 4.4821 8.0030 121.7226 60.1655 37.2756 176.0379 99 S 4.7780 9.0038 122.5630 57.4671 63.9144 174.6682 100 T 4.2049 8.6452 114.9795 60.6653 69.5666 173.5094 101 P 4.2499 0.0000 0.0000 66.0264 31.1068 178.7273 102 E 4.2704 8.1786 116.5219 59.6992 29.3916 179.1187 103 E 4.0508 7.8481 116.5899 58.3387 29.5798 178.2570 104 L 4.6444 7.4222 117.1769 53.4247 42.4751 176.7607 105 G 3.9178 8.0342 107.1167 46.5466 0.0000 174.7104 106 L 4.3022 8.2857 119.0823 55.1172 41.9202 177.2439 107 D 4.6562 7.9527 117.4369 52.8585 40.1043 176.0091 108 K 4.5367 7.5770 119.5667 55.1500 34.4928 176.6512 109 V 3.7873 8.2841 114.3984 61.7633 31.4936 176.0064 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 5 H 8.43 4.63 0.00 3.11 2.81 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.85 4.56 0.00 2.35 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 2.51 0.00 7 T 8.96 4.18 4.52 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 1.23 0.00 0.00 8 D 8.57 4.41 0.00 2.73 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 9 E 8.19 4.07 0.00 2.10 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 0.00 2.43 2.50 0.00 10 E 8.02 4.07 0.00 2.29 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 0.00 2.36 2.35 0.00 11 F 8.30 4.19 0.00 3.14 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 12 D 8.60 4.56 0.00 3.06 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 13 A 8.23 4.04 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 14 R 7.93 3.73 0.00 1.81 1.56 0.00 2.94 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 15 W 7.99 3.99 0.00 3.31 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 16 V 8.28 3.81 2.31 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 1.12 0.00 0.00 1.16 0.00 0.00 17 T 7.92 3.87 4.36 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 1.17 0.00 0.00 18 Y 7.65 3.96 0.00 2.73 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 19 F 8.06 4.69 0.00 3.29 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 20 N 7.89 4.84 0.00 2.91 2.89 0.00 0.00 6.90 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 21 K 7.31 3.90 0.00 1.68 1.57 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.32 7.81 22 P 0.00 4.21 0.00 2.06 2.13 0.00 3.69 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 2.03 2.11 0.00 23 D 7.79 4.79 0.00 2.77 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 24 I 7.51 3.73 1.88 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 1.38 0.85 1.01 0.00 0.00 25 D 8.73 4.83 0.00 3.08 2.84 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 26 A 8.47 4.06 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 27 W 8.37 4.04 0.00 3.46 3.38 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 0.00 0.00 0.00 0.00 28 E 9.50 4.34 0.00 2.23 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 2.68 2.82 0.00 29 L 8.03 4.30 0.00 1.92 1.97 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.08 3.91 0.00 1.81 1.83 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 31 K 8.14 3.72 0.00 0.79 1.59 0.00 1.23 0.00 0.00 1.34 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 32 G 8.40 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 33 M 8.33 4.12 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.75 0.00 34 N 8.36 4.31 0.00 2.62 2.79 0.00 0.00 7.14 7.37 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 35 T 7.84 3.91 4.51 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 1.28 0.00 0.00 36 L 7.76 3.38 0.00 1.11 1.51 -0.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.39 3.84 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 0.61 0.00 0.00 0.92 0.00 0.00 38 G 7.36 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.90 4.58 0.00 2.93 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 40 D 8.28 4.64 0.00 2.63 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 41 L 7.03 4.29 0.00 1.67 1.49 1.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.23 4.25 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 0.90 0.00 0.00 0.98 0.00 0.00 43 P 0.00 4.43 0.00 2.08 1.98 0.00 3.75 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 1.98 2.09 0.00 44 E 8.78 4.21 0.00 2.09 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 2.49 2.73 0.00 45 P 0.00 4.28 0.00 2.12 2.01 0.00 3.68 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 2.12 2.17 0.00 46 K 8.08 4.08 0.00 2.03 2.12 0.00 1.59 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.63 7.81 47 I 7.88 3.94 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.73 1.17 0.00 0.00 48 I 7.70 3.61 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.98 0.85 0.00 0.00 49 D 8.51 4.27 0.00 2.79 2.92 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 50 A 7.93 4.15 1.56 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 0.00 0.00 51 A 7.90 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.12 3.88 0.00 1.82 1.68 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.11 3.97 0.00 2.06 2.00 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 54 A 7.97 4.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.02 4.10 0.00 3.23 3.19 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 56 R 7.89 3.90 0.00 1.97 2.19 0.00 3.19 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 57 R 8.06 3.96 0.00 2.00 2.01 0.00 3.22 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 58 L 7.63 4.47 0.00 1.84 1.73 0.99 1.20 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 59 N 8.22 4.15 0.00 2.85 2.90 0.00 0.00 6.62 8.81 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 60 D 8.24 4.82 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.72 4.27 0.00 3.19 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 62 A 8.23 4.00 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 63 S 8.98 4.06 0.00 3.89 3.88 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 64 A 7.52 3.84 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 65 V 7.13 3.34 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 0.97 0.00 0.00 0.48 0.00 0.00 66 R 7.76 4.36 0.00 1.92 1.99 0.00 3.28 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 67 I 7.79 3.64 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.80 0.00 0.00 68 L 7.62 4.12 0.00 1.79 1.88 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.19 3.86 0.00 2.16 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 2.24 2.39 0.00 70 V 7.97 3.63 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 0.86 0.00 0.00 0.87 0.00 0.00 71 V 7.43 3.56 2.31 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 0.92 0.00 0.00 1.01 0.00 0.00 72 K 7.77 3.99 0.00 0.79 1.52 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.08 7.81 73 D 8.07 4.26 0.00 2.85 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 74 K 8.14 4.06 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.57 7.81 75 A 8.11 4.24 1.49 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 0.00 0.00 0.00 76 G 8.41 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 77 P 0.00 4.37 0.00 2.07 2.12 0.00 3.91 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 78 H 7.93 4.61 0.00 3.46 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.23 4.04 0.00 1.77 1.92 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.39 7.81 80 E 8.13 4.33 0.00 2.13 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 0.00 2.36 2.26 0.00 81 I 7.96 3.79 1.95 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 1.40 0.90 1.01 0.00 0.00 82 Y 8.08 4.27 0.00 2.92 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 83 P 0.00 4.13 0.00 2.24 2.11 0.00 3.86 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 2.27 2.26 0.00 84 Y 7.60 4.02 0.00 2.95 3.09 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 85 V 7.93 3.28 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 0.93 0.00 0.00 1.13 0.00 0.00 86 I 7.47 3.46 1.47 0.00 0.00 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 0.12 -0.16 0.73 0.00 0.00 87 Q 7.67 3.96 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 88 E 7.78 3.86 0.00 1.78 1.79 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 1.51 1.69 0.00 89 L 7.58 4.36 0.00 1.59 1.61 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.53 3.82 0.00 2.07 1.90 0.00 3.25 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 91 P 0.00 4.22 0.00 2.17 2.07 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 92 T 7.80 3.89 4.35 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 1.20 0.00 0.00 93 L 8.36 3.99 0.00 1.76 1.90 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.34 4.30 0.00 2.97 2.86 0.00 0.00 6.61 7.19 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 95 E 8.18 3.97 0.00 2.00 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 2.34 2.31 0.00 96 L 8.12 4.19 0.00 1.70 1.75 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.62 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 0.00 0.00 0.00 98 I 8.00 4.48 1.90 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 1.35 0.67 0.81 0.00 0.00 99 S 9.00 4.78 0.00 4.10 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 0.00 100 T 8.65 4.20 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 101 P 0.00 4.25 0.00 2.17 2.14 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 102 E 8.18 4.27 0.00 2.12 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 2.49 2.76 0.00 103 E 7.85 4.05 0.00 2.08 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 2.37 2.39 0.00 104 L 7.42 4.64 0.00 1.76 1.75 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.03 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 0.00 106 L 8.29 4.30 0.00 1.75 1.71 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.95 4.66 0.00 2.75 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 0.00 108 K 7.58 4.54 0.00 1.87 1.83 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.43 7.81 109 V 8.28 3.79 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 0.66 0.00 0.00 0.92 0.00 0.00