NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3419 8.2493 123.5815 50.6322 21.0784 176.4285 2 K 4.1919 7.5358 111.9549 55.1896 35.2237 174.5952 3 K 4.3627 8.1838 123.2020 55.7582 34.6731 176.1913 4 V 4.5028 7.8333 122.1262 59.2103 34.5175 174.9313 5 Q 3.7861 8.3046 119.2403 56.1545 29.3996 175.7445 6 A 3.8113 9.2735 122.8401 53.8771 19.1010 177.1213 7 Y 3.4025 8.1852 122.8828 58.3356 36.5732 169.6830 8 V 4.2433 7.8817 117.4856 59.8908 34.2526 174.8250 9 K 4.9192 8.1264 120.3456 54.9655 35.9043 175.8085 10 L 4.4335 8.7091 122.5979 54.9932 44.2765 174.4026 11 Q 4.8427 8.7090 120.2288 54.4930 29.6250 175.0347 12 V 4.5311 7.9878 123.4048 59.1076 34.5432 175.2890 13 A 3.8673 8.7966 123.9421 52.4475 18.5555 176.4601 14 A 3.8820 8.3665 118.7340 53.3881 19.1197 179.2606 15 G 3.9221 7.3220 107.5517 41.0000 0.0000 172.0849 16 M 4.1155 7.5565 114.9179 55.4672 35.3880 173.5232 17 A 4.2658 8.5438 126.7570 52.2053 21.8444 174.1172 18 N 4.6127 9.4715 116.9644 53.5738 37.7336 173.3055 19 P 4.2505 0.0000 0.0000 62.9210 31.9813 176.6894 20 S 4.0102 8.6607 117.1065 61.1870 62.7472 173.5397 21 P 4.3868 0.0000 0.0000 65.3659 31.2880 176.1762 22 P 4.4437 0.0000 0.0000 65.2774 32.9608 177.3095 23 V 4.1993 7.6220 113.4712 61.4852 32.3950 181.0991 24 G 3.8511 9.3534 108.8697 45.2815 0.0000 173.1189 25 P 4.0830 0.0000 0.0000 65.9230 30.9903 175.9803 26 A 3.8360 7.7610 117.9811 55.2921 18.5265 178.8354 27 L 4.2439 7.5373 115.6301 56.5973 41.4305 178.8615 28 G 3.6198 8.0653 107.6367 47.8809 0.0000 175.6605 29 Q 3.9666 7.5382 119.3631 59.1245 28.8494 178.6402 30 Q 4.1332 7.5298 117.2571 57.4755 28.6312 177.5391 31 G 4.1260 7.3708 107.8725 45.4742 0.0000 173.9894 32 V 3.4040 7.3215 118.0536 62.0513 32.2947 176.5531 33 N 4.6921 8.0918 122.8133 52.0610 38.2403 175.9113 34 I 3.5813 8.2375 125.5281 64.8656 37.3636 177.0182 35 M 3.9344 8.1066 117.7100 59.0833 32.0574 177.6957 36 E 3.9810 8.4084 118.3818 59.6062 29.6870 178.4104 37 F 4.3596 8.5713 120.2682 61.5001 39.3846 176.1569 38 C 3.9582 8.3852 118.5061 62.8698 31.3740 176.0480 39 K 3.9707 7.9903 118.8341 59.1316 31.7193 179.2277 40 A 4.0800 8.4989 121.4940 55.6610 18.3765 178.9907 41 F 4.3906 8.7180 120.2810 61.4886 38.9235 176.7622 42 N 4.6337 8.5096 117.0671 54.8793 38.5648 177.3869 43 A 4.0350 7.6460 122.4067 55.2653 18.5729 179.7260 44 K 4.0745 7.6005 116.0007 58.9200 32.2640 179.5184 45 T 3.7815 7.5502 109.9936 64.0379 68.2011 176.2967 46 D 4.2767 7.2582 120.9483 57.4848 40.9123 177.8925 47 S 4.1738 7.7938 113.8656 61.4386 63.1149 174.9102 48 I 3.8460 7.1364 118.0944 59.9866 38.2814 174.8355 49 E 3.8524 8.7090 123.0599 56.9092 29.3994 177.5312 50 K 4.1380 8.4943 123.6182 57.1297 32.9530 177.7555 51 G 3.9527 8.9787 110.6431 45.0500 0.0000 172.7809 52 L 4.7831 7.4265 120.4013 51.8654 44.1391 173.7030 53 P 4.5448 0.0000 0.0000 63.3002 31.7520 175.3153 54 I 4.6050 7.9567 124.8462 58.2041 39.6608 173.1456 55 P 4.8028 0.0000 0.0000 62.6666 32.6056 175.3512 56 V 4.6895 8.8697 124.8699 59.6597 34.7961 174.7851 57 V 4.5366 8.0660 122.9160 61.3899 33.5736 174.1742 58 I 4.7155 7.9134 129.2184 60.1025 39.3828 174.8011 59 T 4.4080 8.6434 121.1855 60.2439 69.6066 173.0957 60 V 4.2179 8.2267 128.5006 61.8457 33.1075 174.3710 61 Y 4.9004 7.8199 122.5755 55.8230 40.4511 176.6611 62 A 4.1950 8.6773 122.7056 55.4999 18.5019 178.3455 63 D 4.4415 8.2029 114.1167 55.2749 41.4184 177.7812 64 R 4.1284 8.4030 116.3459 57.0458 29.1940 176.2133 65 S 4.7157 7.7875 113.4951 58.3797 63.6555 171.7769 66 F 5.0528 7.7230 113.9986 56.4955 39.8092 173.2069 67 T 5.0775 8.3989 109.0117 60.2214 72.4358 172.6328 68 F 5.7828 8.2257 116.0674 55.1740 41.2236 173.9372 69 V 4.2917 8.4880 114.3121 59.8947 33.8457 174.7277 70 T 4.5859 8.6462 121.6953 61.5864 67.4109 173.9668 71 K 4.5644 8.1102 134.2704 56.4331 32.8597 175.7667 72 T 4.6208 8.0414 117.7993 60.1434 69.2105 173.4617 73 P 4.5082 0.0000 0.0000 62.1766 31.9181 174.8369 74 P 4.3012 0.0000 0.0000 63.1855 33.1100 177.5580 75 A 3.9738 8.6348 122.3000 55.0882 18.3714 180.0401 76 A 3.9251 7.9650 118.8950 55.3772 18.5935 179.8615 77 V 3.5163 7.7244 116.1033 66.2388 31.7481 177.9485 78 L 4.0277 8.1471 118.8314 57.9276 41.4282 179.6371 79 L 4.0557 8.3016 119.3269 57.5629 41.4585 179.5681 80 K 4.0096 7.9882 118.5803 59.3038 31.9513 179.5531 81 K 3.9262 8.0473 118.2504 59.4606 31.8532 179.0874 82 A 3.9769 7.8016 119.2956 55.3898 18.4025 179.2786 83 A 4.3127 8.4452 117.6543 52.8761 18.5108 178.5706 84 G 3.7885 7.8545 105.0535 46.0430 0.0000 173.5668 85 I 4.3405 7.6900 113.2255 59.2783 39.6027 175.3381 86 K 4.3039 8.4847 118.5971 57.2748 33.2840 176.1648 87 S 4.8203 7.6063 110.1884 55.8506 66.5958 175.2127 88 G 4.1403 8.3628 115.3748 45.5865 0.0000 174.7075 89 S 4.5216 8.3066 114.9729 57.0776 64.1287 175.5614 90 G 4.0725 8.4196 114.0781 46.0052 0.0000 174.7933 91 K 4.5369 7.2425 119.9372 52.2780 32.0539 173.7623 92 P 4.3579 0.0000 0.0000 63.9655 32.5180 176.0686 93 N 4.8331 8.9380 121.4970 54.1532 37.4769 176.1996 94 K 4.0381 8.0124 117.2022 58.6433 32.5383 176.1931 95 D 4.7812 7.7539 116.8448 51.9178 43.3876 174.6140 96 K 5.1024 8.5581 125.4620 55.7613 33.7735 176.8192 97 V 4.1598 8.2878 115.3437 62.2372 33.3641 175.3109 98 G 4.3081 7.6354 106.3645 45.3419 0.0000 171.8301 99 K 5.3249 8.3977 117.7383 55.3176 36.0034 175.9263 100 I 4.9375 8.9483 122.0892 59.4804 41.6488 175.3779 101 S 5.0608 9.0737 120.9218 57.4723 63.3122 175.5822 102 R 3.9548 8.6898 121.0340 59.3726 29.7471 179.2910 103 A 4.2923 7.8091 121.6572 54.6176 18.4943 179.4263 104 Q 4.1938 7.8885 117.6914 58.6512 28.8376 178.9548 105 L 4.0481 7.9735 119.3972 58.1263 41.6381 179.5489 106 Q 4.1348 7.8294 116.8767 58.8877 28.0603 178.7058 107 E 4.0901 7.9865 119.2686 59.5061 29.4521 179.4623 108 I 3.7944 8.3207 120.1167 64.1972 37.1808 178.3767 109 A 3.9885 8.5413 122.1043 54.9231 17.9349 179.3862 110 Q 3.9982 7.8436 117.5966 59.2357 29.1577 178.0329 111 T 4.1141 7.5085 116.0518 66.2692 68.8922 176.6070 112 K 4.1905 8.5103 119.2057 57.6457 32.0956 178.8807 113 A 3.9460 7.7637 121.8719 55.4486 17.9940 179.3465 114 A 3.9673 8.0280 117.2840 54.9883 18.5946 178.5244 115 D 4.6529 8.1789 114.5157 53.9528 41.9034 176.6333 116 M 4.4644 6.9531 119.5838 54.4564 33.2611 176.2073 117 T 4.1728 8.4005 115.1180 62.1429 68.0849 175.0432 118 G 3.8332 8.1461 108.8141 46.8447 0.0000 173.3025 119 A 4.0984 8.8460 128.1130 54.3703 19.0602 177.1604 120 D 5.0763 7.6327 114.0299 50.7631 43.8649 176.6404 121 I 3.7251 8.2113 113.3754 64.1634 37.2683 177.9831 122 E 3.9144 8.2583 119.5227 59.1538 29.2847 178.8735 123 A 3.9804 8.9464 120.8429 55.5972 18.3681 179.5174 124 M 3.9987 7.8736 116.5904 58.8743 32.1229 179.1622 125 T 3.8609 8.2756 116.1752 66.7640 68.6588 176.7262 126 R 4.3044 8.1022 121.9153 58.9132 29.7340 178.4349 127 S 4.1400 8.4049 115.4573 61.9413 62.7563 176.8317 128 I 4.0554 7.6617 122.1056 64.0108 36.7680 178.1606 129 E 4.0556 8.1370 119.6635 59.4090 29.0475 179.6108 130 G 3.6766 8.1261 104.9857 47.4916 0.0000 175.5380 131 T 4.1210 7.3750 112.4205 64.4409 68.9295 176.9448 132 A 3.9948 8.1765 123.8089 55.1122 18.2847 179.8946 133 R 3.9033 8.0568 115.1738 58.9913 30.1538 178.7133 134 S 4.4422 7.5700 113.2564 59.7976 61.9733 175.0932 135 M 4.4787 8.3160 121.0884 54.2987 32.3157 176.9342 136 G 4.0136 7.8621 106.8432 46.7551 0.0000 172.4526 137 L 4.8647 7.7086 119.5056 52.6563 42.8417 176.8368 138 V 3.9282 8.3347 124.4616 62.6408 33.2266 175.0349 139 V 5.5426 8.4410 123.9358 60.1609 34.0017 174.1665 140 E 4.5774 8.6659 126.5355 54.5114 31.6996 175.7487 141 D 4.4586 8.6561 122.8908 54.3709 41.3820 175.5474 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 A 8.25 4.34 1.27 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 0.00 0.00 0.00 2 K 7.54 4.19 0.00 1.90 1.75 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.45 7.81 3 K 8.18 4.36 0.00 1.70 1.76 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.48 7.81 4 V 7.83 4.50 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 0.76 0.00 0.00 0.93 0.00 0.00 5 Q 8.30 3.79 0.00 2.44 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 6 A 9.27 3.81 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 7 Y 8.19 3.40 0.00 3.08 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 8 V 7.88 4.24 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 0.69 0.00 0.00 0.68 0.00 0.00 9 K 8.13 4.92 0.00 1.56 1.63 0.00 2.00 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.46 7.81 10 L 8.71 4.43 0.00 1.66 1.62 0.78 0.45 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 11 Q 8.71 4.84 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 12 V 7.99 4.53 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 0.30 0.00 0.00 0.94 0.00 0.00 13 A 8.80 3.87 1.30 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 0.00 0.00 14 A 8.37 3.88 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 15 G 7.32 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 16 M 7.56 4.12 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 17 A 8.54 4.27 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 18 N 9.47 4.61 0.00 2.75 3.25 0.00 0.00 6.96 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 19 P 0.00 4.25 0.00 2.20 1.98 0.00 3.65 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 2.12 2.10 0.00 20 S 8.66 4.01 0.00 3.81 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 21 P 0.00 4.39 0.00 2.07 2.09 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 22 P 0.00 4.44 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 23 V 7.62 4.20 2.19 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 0.97 0.00 0.00 0.92 0.00 0.00 24 G 9.35 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 0.00 0.00 0.00 25 P 0.00 4.08 0.00 2.13 2.12 0.00 3.96 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 26 A 7.76 3.84 1.27 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 0.00 0.00 0.00 27 L 7.54 4.24 0.00 1.54 1.63 0.27 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.07 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 29 Q 7.54 3.97 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.68 0.00 30 Q 7.53 4.13 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.38 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 31 G 7.37 4.13 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 0.00 0.00 0.00 32 V 7.32 3.40 1.64 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 -0.67 0.00 0.00 0.58 0.00 0.00 33 N 8.09 4.69 0.00 3.17 2.91 0.00 0.00 6.90 7.36 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 34 I 8.24 3.58 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 1.49 0.94 0.93 0.00 0.00 35 M 8.11 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 36 E 8.41 3.98 0.00 2.22 2.42 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 2.46 2.44 0.00 37 F 8.57 4.36 0.00 3.41 3.22 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 38 C 8.39 3.96 0.00 3.11 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 39 K 7.99 3.97 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.61 7.81 40 A 8.50 4.08 1.60 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 41 F 8.72 4.39 0.00 1.51 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 0.00 0.00 0.00 0.00 42 N 8.51 4.63 0.00 2.77 2.80 0.00 0.00 6.56 8.77 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 43 A 7.65 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 44 K 7.60 4.07 0.00 1.89 1.80 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 45 T 7.55 3.78 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 -0.08 0.00 0.00 46 D 7.26 4.28 0.00 2.83 2.73 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 47 S 7.79 4.17 0.00 3.94 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 48 I 7.14 3.85 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.89 0.00 0.00 49 E 8.71 3.85 0.00 1.99 1.94 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 2.33 2.32 0.00 50 K 8.49 4.14 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.40 7.81 51 G 8.98 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 52 L 7.43 4.78 0.00 1.61 1.60 0.93 1.01 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 53 P 0.00 4.54 0.00 2.11 2.13 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 54 I 7.96 4.60 1.96 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 1.37 1.31 1.18 0.00 0.00 55 P 0.00 4.80 0.00 2.19 2.21 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 56 V 8.87 4.69 2.41 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 0.56 0.00 0.00 1.35 0.00 0.00 57 V 8.07 4.54 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 0.57 0.00 0.00 0.95 0.00 0.00 58 I 7.91 4.72 1.44 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.05 0.65 0.00 0.00 59 T 8.64 4.41 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 1.23 0.00 0.00 60 V 8.23 4.22 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 0.92 0.00 0.00 0.69 0.00 0.00 61 Y 7.82 4.90 0.00 3.14 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 62 A 8.68 4.19 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 63 D 8.20 4.44 0.00 2.77 2.83 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 64 R 8.40 4.13 0.00 2.06 2.16 0.00 3.25 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 65 S 7.79 4.72 0.00 4.16 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 66 F 7.72 5.05 0.00 2.98 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 67 T 8.40 5.08 4.28 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 1.39 0.00 0.00 68 F 8.23 5.78 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.29 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 0.82 0.00 0.00 1.00 0.00 0.00 70 T 8.65 4.59 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 1.24 0.00 0.00 71 K 8.11 4.56 0.00 1.90 2.10 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.59 7.81 72 T 8.04 4.62 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 1.30 0.00 0.00 73 P 0.00 4.51 0.00 2.24 2.17 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 74 P 0.00 4.30 0.00 2.19 2.06 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 75 A 8.63 3.97 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 76 A 7.96 3.93 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 77 V 7.72 3.52 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 1.08 0.00 0.00 0.95 0.00 0.00 78 L 8.15 4.03 0.00 1.91 1.72 0.98 0.71 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 79 L 8.30 4.06 0.00 1.85 1.72 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.99 4.01 0.00 2.03 2.03 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.74 7.81 81 K 8.05 3.93 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 82 A 7.80 3.98 1.35 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 0.00 0.00 0.00 83 A 8.45 4.31 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 84 G 7.85 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 85 I 7.69 4.34 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.95 0.00 0.00 86 K 8.48 4.30 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.39 7.81 87 S 7.61 4.82 0.00 3.77 3.71 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 0.00 0.00 0.00 0.00 88 G 8.36 4.14 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 0.00 89 S 8.31 4.52 0.00 4.10 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 90 G 8.42 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 0.00 0.00 0.00 0.00 91 K 7.24 4.54 0.00 1.83 1.72 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.47 7.81 92 P 0.00 4.36 0.00 2.03 2.02 0.00 3.76 0.00 0.00 3.68 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 93 N 8.94 4.83 0.00 2.89 3.01 0.00 0.00 6.92 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 94 K 8.01 4.04 0.00 1.71 2.04 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 95 D 7.75 4.78 0.00 2.59 2.49 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 96 K 8.56 5.10 0.00 1.97 1.80 0.00 1.22 0.00 0.00 2.36 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 97 V 8.29 4.16 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 0.73 0.00 0.00 0.94 0.00 0.00 98 G 7.64 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 0.00 0.00 0.00 0.00 99 K 8.40 5.32 0.00 1.90 1.73 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.44 7.81 100 I 8.95 4.94 1.87 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 1.29 0.79 0.95 0.00 0.00 101 S 9.07 5.06 0.00 4.01 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 0.00 102 R 8.69 3.95 0.00 1.88 2.04 0.00 3.29 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 103 A 7.81 4.29 1.31 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 0.00 0.00 0.00 104 Q 7.89 4.19 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 105 L 7.97 4.05 0.00 1.83 1.73 0.92 0.99 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 0.00 106 Q 7.83 4.13 0.00 2.31 2.15 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 2.38 2.67 0.00 107 E 7.99 4.09 0.00 2.22 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 0.00 2.33 2.62 0.00 108 I 8.32 3.79 2.00 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 1.46 0.91 0.92 0.00 0.00 109 A 8.54 3.99 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 0.00 110 Q 7.84 4.00 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 111 T 7.51 4.11 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 112 K 8.51 4.19 0.00 1.77 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 113 A 7.76 3.95 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 0.00 114 A 8.03 3.97 1.32 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 0.00 0.00 0.00 115 D 8.18 4.65 0.00 2.66 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 0.00 116 M 6.95 4.46 0.00 1.96 1.99 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 2.79 2.47 0.00 117 T 8.40 4.17 4.25 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 1.22 0.00 0.00 118 G 8.15 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 0.00 119 A 8.85 4.10 1.29 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 0.00 120 D 7.63 5.08 0.00 3.01 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 3.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.91 0.00 0.00 122 E 8.26 3.91 0.00 2.33 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 2.40 2.45 0.00 123 A 8.95 3.98 1.38 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 0.00 0.00 124 M 7.87 4.00 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 125 T 8.28 3.86 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 1.28 0.00 0.00 126 R 8.10 4.30 0.00 2.01 2.03 0.00 3.16 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 127 S 8.40 4.14 0.00 4.09 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 0.00 128 I 7.66 4.06 2.01 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 1.53 0.83 0.92 0.00 0.00 129 E 8.14 4.06 0.00 2.23 2.01 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 2.33 2.57 0.00 130 G 8.13 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 0.00 131 T 7.37 4.12 4.25 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 1.26 0.00 0.00 132 A 8.18 3.99 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 0.00 133 R 8.06 3.90 0.00 1.79 2.02 0.00 3.16 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 134 S 7.57 4.44 0.00 3.99 3.91 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 0.00 135 M 8.32 4.48 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.53 0.00 136 G 7.86 4.01 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 0.00 0.00 0.00 137 L 7.71 4.86 0.00 1.53 1.63 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.33 3.93 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 0.83 0.00 0.00 0.93 0.00 0.00 139 V 8.44 5.54 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 1.00 0.00 0.00 0.97 0.00 0.00 140 E 8.67 4.58 0.00 2.04 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 2.28 2.23 0.00 141 D 8.66 4.46 0.00 2.64 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