NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1528 8.1727 122.0476 56.2699 34.1263 174.1012 2 V 4.6106 8.1427 126.8255 60.6286 32.4611 174.4436 3 F 4.4787 9.9998 128.7376 57.6203 40.2208 174.8713 4 E 4.2910 9.3144 120.9593 55.4251 31.2056 176.5518 5 R 3.3585 9.0211 119.7037 61.0756 29.8852 179.3405 6 C 4.3406 8.0105 115.3517 59.6887 37.7312 175.7122 7 E 3.8894 8.1357 120.7504 59.2560 29.2809 178.5409 8 L 3.5879 7.9803 120.0820 57.8058 42.0852 178.5664 9 A 3.9330 7.7698 120.7561 55.4735 18.2324 179.9351 10 R 3.9277 8.0037 116.4188 59.5160 29.9616 179.4316 11 T 3.8602 7.8091 115.7236 66.5695 68.4321 176.7551 12 L 3.8340 8.2411 121.3501 57.4540 41.6418 179.3894 13 K 3.8871 8.0437 119.5834 59.7090 31.9411 179.0821 14 R 3.9883 8.0506 117.3103 58.8967 30.0076 178.0840 15 L 4.3710 7.3149 116.2932 54.2984 41.7130 177.1151 16 G 3.8622 7.8650 106.9149 46.7598 0.0000 175.0601 17 M 3.8789 7.8052 121.3860 56.4718 32.3509 175.6876 18 D 4.3441 7.9950 117.6730 56.0575 40.9260 175.8650 19 G 3.9415 9.4818 116.0649 45.2485 0.0000 171.2383 20 Y 4.1283 8.2270 121.9080 58.7268 38.9042 176.4120 21 R 3.5194 8.9339 127.4808 57.3625 27.6634 177.3104 22 G 3.8124 8.3048 103.2659 45.8381 0.0000 173.9605 23 I 4.0761 7.4836 122.0562 59.1801 38.0909 175.9352 24 S 4.6236 8.3134 120.3084 57.6804 64.0051 174.9322 25 L 4.2298 8.4978 122.1582 58.5352 41.7669 179.2677 26 A 4.1525 8.1804 120.1803 55.2753 18.2526 179.2769 27 N 4.4311 8.0882 114.6021 56.4215 38.5883 177.6760 28 W 4.2512 8.0303 119.8147 59.9702 29.1116 178.3336 29 M 4.1083 8.4112 118.7282 58.6158 31.4596 177.9478 30 C 3.2882 7.9932 118.5199 59.0919 43.3346 175.3044 31 L 4.0114 8.2052 121.7268 58.3268 41.7623 178.8269 32 A 4.1606 8.5082 121.0134 54.9231 18.2833 179.4273 33 K 2.9087 8.4746 118.5030 59.4567 32.0826 179.1885 34 W 4.1727 7.8917 117.4639 59.2657 29.0650 178.3945 35 E 4.3499 8.4700 118.8913 58.8027 29.1432 177.9467 36 S 4.5108 7.6699 107.7231 56.8817 65.1000 173.7886 37 G 3.3749 8.2301 108.8540 47.1272 0.0000 173.2509 38 Y 3.6269 7.6693 112.8902 58.7910 35.1584 169.1155 39 N 5.3400 7.8066 118.8397 51.9391 40.0237 175.4065 40 T 4.0797 9.0580 117.8710 63.8323 69.1923 175.9672 41 R 4.3641 8.0145 117.0361 55.6121 30.0630 176.1594 42 A 4.3581 7.6287 121.9200 52.8019 19.3131 177.1785 43 T 5.5617 8.2248 110.2655 59.7241 72.5936 173.0333 44 N 4.8681 8.2906 121.0766 52.4918 42.0054 172.3556 45 Y 4.6941 8.7811 128.0079 57.3073 40.8894 173.8218 46 N 4.6964 8.4469 124.5003 51.1071 39.0859 175.0953 47 A 3.6187 8.3597 127.7001 54.8727 18.8410 179.1428 48 G 3.7427 8.0775 103.9946 48.0940 0.0000 173.8361 49 D 4.7512 7.5239 115.1625 51.9594 40.0645 175.5995 50 R 3.9421 8.0398 116.0400 56.8717 28.1696 175.8783 51 S 4.9878 7.5926 112.0614 57.0946 66.4511 172.7124 52 T 5.1307 8.9133 115.9604 61.9721 72.7672 172.8669 53 D 5.4802 9.0629 125.0323 53.3755 43.1396 175.1312 54 Y 4.9022 9.0995 120.6422 57.4704 41.8669 177.3596 55 G 4.5140 8.9317 111.3279 46.2719 0.0000 173.6246 56 I 3.7027 8.3004 117.5618 63.4017 38.0321 177.6049 57 F 4.7307 7.9287 115.7801 56.4374 39.8063 175.1274 58 Q 3.6324 7.8277 118.9666 57.0797 26.7282 174.2955 59 I 4.3354 8.0470 118.4705 61.3710 39.1994 176.6918 60 N 5.4696 9.1794 125.5227 53.2096 39.9562 175.7032 61 S 4.7135 9.0546 120.0680 60.0678 63.3742 175.3862 62 R 3.7622 8.7972 122.4187 58.7021 30.3789 177.6834 63 Y 4.4080 7.7851 114.4384 57.5639 40.6407 177.1730 64 W 4.8236 8.0893 118.8431 57.6377 30.3467 173.6848 65 C 5.5356 7.8970 110.5779 53.4891 45.7638 171.9156 66 N 4.8916 9.0151 120.1902 52.2498 39.2817 174.9186 67 D 4.7796 8.6433 123.6264 52.2645 40.4719 177.4893 68 G 4.0095 8.4015 107.8426 45.9843 0.0000 174.5634 69 K 4.4702 8.0766 116.7064 56.5925 33.1280 175.7204 70 T 4.5888 7.7239 117.1472 61.3221 69.3815 172.2361 71 P 4.3002 0.0000 0.0000 64.2041 31.6804 176.2348 72 G 3.9022 8.9123 109.4162 46.1733 0.0000 173.3158 73 A 4.1486 7.5293 120.8258 51.7165 18.8543 177.6461 74 V 4.4807 8.1693 112.9165 59.7036 35.4885 176.3366 75 N 4.9120 7.9927 115.6483 51.9845 38.5605 174.3119 76 A 3.9124 8.8121 124.3330 54.9289 19.0814 178.5710 77 C 4.5173 8.5704 111.6480 57.5189 41.1299 173.0454 78 H 4.1402 7.9927 116.1952 56.5985 26.2125 174.2608 79 L 4.8199 8.4276 117.9509 52.8935 46.3678 176.5778 80 S 4.6666 8.3881 115.6534 57.9585 63.2694 175.9850 81 C 3.9857 8.6431 124.5854 59.7219 40.4313 176.4065 82 S 3.8930 7.8457 114.5621 61.2085 61.6610 175.9108 83 A 4.0446 8.0025 122.8319 54.3704 17.9574 177.9300 84 L 4.4411 7.8427 116.3886 55.1233 41.8337 177.6173 85 L 5.0198 7.9063 117.6355 54.5525 42.2129 176.6626 86 Q 4.3735 7.7962 117.6396 55.3221 29.6373 175.9743 87 D 4.3985 8.5948 120.5281 57.2552 41.1218 176.8681 88 N 4.5597 8.0166 118.1013 53.2918 39.2745 174.6508 89 I 4.2317 8.4941 118.7571 60.9646 37.9605 176.9664 90 A 3.9427 8.6064 124.8535 56.1216 18.1054 180.0773 91 D 4.2759 8.0948 116.2210 57.4310 40.8688 178.7497 92 A 4.1047 8.0241 121.1105 55.3704 18.3540 179.6482 93 T 3.6717 8.3797 108.5575 64.6097 68.9168 176.7011 94 A 3.8105 8.0636 123.7606 55.1584 18.3101 178.8685 95 C 4.2291 8.4501 116.7812 59.7040 38.9018 175.4961 96 A 3.9400 8.1882 122.7084 55.1392 17.5867 179.7890 97 K 3.7998 7.8031 116.4249 59.4282 32.1683 179.1689 98 R 4.0891 7.9011 119.0156 59.3389 30.1206 178.6398 99 V 2.5600 7.6598 118.1470 65.8426 31.0631 178.1997 100 V 3.8628 7.7561 110.4212 63.1387 31.2517 178.2311 101 R 4.2038 7.7060 117.5492 57.4471 30.4364 176.4763 102 D 4.7175 7.5382 119.0890 52.6973 41.8117 175.3206 103 P 4.2447 0.0000 0.0000 66.3359 31.0083 177.9658 104 Q 4.0073 8.1845 117.6744 56.3309 29.9995 177.3299 105 G 3.6952 7.7717 106.6598 46.8838 0.0000 176.3783 106 I 3.4492 7.8318 120.5869 63.5992 37.8573 177.8418 107 R 4.1883 7.2113 117.8843 57.7601 30.0300 177.3056 108 A 3.8675 7.7178 121.2083 54.4837 18.6122 177.8781 109 W 4.6267 8.0933 116.9895 55.6033 29.8343 177.5980 110 V 3.7394 8.7469 123.6212 65.9693 30.9761 177.5701 111 A 4.0367 8.3226 120.2017 54.9000 18.1054 179.2221 112 W 3.9864 8.3628 126.3345 60.6466 30.5851 178.3533 113 R 3.7620 8.2544 116.2881 59.5048 29.6725 178.3886 114 N 4.3882 8.1395 114.9084 55.3336 38.6396 176.1336 115 R 4.1763 7.6969 115.4299 55.6330 32.2161 175.4148 116 C 4.5235 7.8483 114.9540 57.7233 42.6298 174.4687 117 Q 3.2542 6.4016 119.2314 57.1945 28.7371 175.2053 118 N 4.1953 8.6082 120.5114 54.2485 36.3609 173.9628 119 R 4.5022 7.3216 114.6783 54.1577 32.8372 176.0312 120 D 4.5591 8.4537 119.6640 54.0871 40.3546 175.9407 121 V 4.5947 8.1582 118.7337 61.1133 32.4943 178.4130 122 R 4.0691 8.0320 122.3684 59.2321 30.4267 179.0102 123 Q 4.0346 8.1051 115.4820 59.0921 28.6394 178.2662 124 Y 4.2796 8.0061 115.9763 60.2463 38.2368 177.0305 125 V 4.3354 7.7509 110.4325 60.8167 32.7554 175.6309 126 Q 4.1926 7.5319 119.6449 57.2272 28.7626 177.0090 127 G 3.9573 8.9242 110.3563 45.9875 0.0000 174.5058 128 C 4.4359 8.0152 115.7121 56.7580 40.6839 174.1635 129 G 3.8412 8.1715 107.1776 46.6164 0.0000 174.0567 130 V 3.9966 7.8663 118.0680 61.0690 31.9658 175.8850 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 8.17 4.15 0.00 2.02 1.59 0.00 1.19 0.00 0.00 0.77 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 1.11 7.81 2 V 8.14 4.61 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 0.91 0.00 0.00 0.94 0.00 0.00 3 F 10.00 4.48 0.00 2.85 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 4 E 9.31 4.29 0.00 1.94 1.88 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 2.32 2.26 0.00 5 R 9.02 3.36 0.00 1.98 1.91 0.00 3.41 0.00 0.00 3.46 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 6 C 8.01 4.34 0.00 3.01 3.12 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 7 E 8.14 3.89 0.00 2.06 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 0.00 2.60 2.42 0.00 8 L 7.98 3.59 0.00 1.38 1.37 -0.29 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.77 3.93 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 10 R 8.00 3.93 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 T 7.81 3.86 4.22 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 1.24 0.00 0.00 12 L 8.24 3.83 0.00 1.71 1.56 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.04 3.89 0.00 1.94 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 8.05 3.99 0.00 1.94 1.96 0.00 3.25 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 15 L 7.31 4.37 0.00 1.56 1.56 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.87 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 0.00 0.00 0.00 17 M 7.81 3.88 0.00 1.20 1.91 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 18 D 8.00 4.34 0.00 2.67 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 19 G 9.48 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 0.00 0.00 0.00 20 Y 8.23 4.13 0.00 3.36 3.20 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 0.00 0.00 0.00 21 R 8.93 3.52 0.00 1.90 1.85 0.00 3.25 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 22 G 8.30 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.48 4.08 1.80 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.68 -0.18 0.00 0.00 24 S 8.31 4.62 0.00 4.06 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 25 L 8.50 4.23 0.00 2.12 1.81 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.18 4.15 1.53 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 27 N 8.09 4.43 0.00 2.84 2.72 0.00 0.00 6.98 7.04 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 28 W 8.03 4.25 0.00 3.53 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 29 M 8.41 4.11 0.00 2.12 2.34 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 2.70 2.90 0.00 30 C 7.99 3.29 0.00 2.60 3.18 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 31 L 8.21 4.01 0.00 1.81 1.89 0.65 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.51 4.16 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 33 K 8.47 2.91 0.00 1.80 1.77 0.00 0.67 0.00 0.00 0.94 0.00 0.00 2.59 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 0.41 7.81 34 W 7.89 4.17 0.00 3.37 3.31 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 35 E 8.47 4.35 0.00 2.03 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 0.00 2.60 2.57 0.00 36 S 7.67 4.51 0.00 4.03 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 37 G 8.23 3.37 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 0.00 38 Y 7.67 3.63 0.00 3.25 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 39 N 7.81 5.34 0.00 2.79 2.83 0.00 0.00 7.02 8.25 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 40 T 9.06 4.08 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 41 R 8.01 4.36 0.00 1.99 2.09 0.00 3.08 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 42 A 7.63 4.36 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 43 T 8.22 5.56 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 1.26 0.00 0.00 44 N 8.29 4.87 0.00 2.88 2.86 0.00 0.00 6.63 7.56 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 45 Y 8.78 4.69 0.00 3.02 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 46 N 8.45 4.70 0.00 2.66 2.60 0.00 0.00 6.62 8.21 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 47 A 8.36 3.62 1.25 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 0.00 0.00 48 G 8.08 3.74 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 0.00 0.00 0.00 49 D 7.52 4.75 0.00 2.71 2.68 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 50 R 8.04 3.94 0.00 2.05 2.18 0.00 3.12 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 51 S 7.59 4.99 0.00 3.92 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 52 T 8.91 5.13 4.15 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 0.72 0.00 0.00 53 D 9.06 5.48 0.00 2.67 2.81 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 0.00 0.00 0.00 54 Y 9.10 4.90 0.00 2.94 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 55 G 8.93 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 0.00 0.00 0.00 0.00 56 I 8.30 3.70 1.68 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.74 0.00 0.00 0.00 57 F 7.93 4.73 0.00 3.23 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 58 Q 7.83 3.63 0.00 2.54 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 59 I 8.05 4.34 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.17 1.12 0.00 0.00 60 N 9.18 5.47 0.00 3.11 3.07 0.00 0.00 6.97 7.16 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 61 S 9.05 4.71 0.00 4.09 4.42 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 62 R 8.80 3.76 0.00 1.57 1.09 0.00 2.63 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 63 Y 7.79 4.41 0.00 1.54 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 0.00 0.00 0.00 64 W 8.09 4.82 0.00 3.68 3.28 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 0.00 65 C 7.90 5.54 0.00 3.16 3.20 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 0.00 0.00 0.00 66 N 9.02 4.89 0.00 2.78 2.71 0.00 0.00 7.06 8.10 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 67 D 8.64 4.78 0.00 2.86 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 68 G 8.40 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 69 K 8.08 4.47 0.00 1.87 1.89 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.45 7.81 70 T 7.72 4.59 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 1.17 0.00 0.00 71 P 0.00 4.30 0.00 2.01 2.01 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 G 8.91 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 0.00 0.00 0.00 73 A 7.53 4.15 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 74 V 8.17 4.48 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 0.65 0.00 0.00 0.87 0.00 0.00 75 N 7.99 4.91 0.00 2.71 2.61 0.00 0.00 6.77 7.73 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 76 A 8.81 3.91 1.20 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 0.00 0.00 0.00 0.00 0.00 77 C 8.57 4.52 0.00 3.33 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 78 H 7.99 4.14 0.00 3.32 3.37 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.43 4.82 0.00 1.66 1.50 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.39 4.67 0.00 3.83 3.69 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 81 C 8.64 3.99 0.00 2.22 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 82 S 7.85 3.89 0.00 3.90 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 83 A 8.00 4.04 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 84 L 7.84 4.44 0.00 1.94 1.83 1.07 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.91 5.02 0.00 1.77 1.71 1.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.80 4.37 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 87 D 8.59 4.40 0.00 2.62 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 88 N 8.02 4.56 0.00 2.69 2.75 0.00 0.00 6.95 7.94 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 89 I 8.49 4.23 1.78 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 0.97 0.00 0.00 90 A 8.61 3.94 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 91 D 8.09 4.28 0.00 2.75 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 92 A 8.02 4.10 1.39 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 0.00 0.00 0.00 93 T 8.38 3.67 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 1.15 0.00 0.00 94 A 8.06 3.81 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 95 C 8.45 4.23 0.00 3.13 3.29 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 96 A 8.19 3.94 0.74 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 0.00 0.00 97 K 7.80 3.80 0.00 1.60 1.33 0.00 1.28 0.00 0.00 0.76 0.00 0.00 2.37 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.95 7.81 98 R 7.90 4.09 0.00 1.99 2.17 0.00 3.30 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 1.82 1.99 0.00 99 V 7.66 2.56 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 -0.26 0.00 0.00 -0.55 0.00 0.00 100 V 7.76 3.86 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 1.16 0.00 0.00 1.44 0.00 0.00 101 R 7.71 4.20 0.00 1.97 2.05 0.00 3.25 0.00 0.00 3.42 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.15 0.00 102 D 7.54 4.72 0.00 3.08 2.64 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 0.00 103 P 0.00 4.24 0.00 2.15 2.19 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 104 Q 8.18 4.01 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.91 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 105 G 7.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.83 3.45 1.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.72 0.00 0.00 107 R 7.21 4.19 0.00 1.96 2.03 0.00 3.22 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 108 A 7.72 3.87 0.68 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 0.00 109 W 8.09 4.63 0.00 3.51 3.29 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 0.00 110 V 8.75 3.74 2.18 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 1.10 0.00 0.00 0.99 0.00 0.00 111 A 8.32 4.04 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.36 3.99 0.00 3.49 3.51 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 0.00 113 R 8.25 3.76 0.00 2.11 2.01 0.00 3.58 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.14 0.00 114 N 8.14 4.39 0.00 2.65 2.72 0.00 0.00 6.89 7.18 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 0.00 115 R 7.70 4.18 0.00 0.89 0.73 0.00 2.80 0.00 0.00 2.85 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.00 116 C 7.85 4.52 0.00 1.47 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 6.40 3.25 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.85 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 118 N 8.61 4.20 0.00 2.78 2.80 0.00 0.00 6.89 7.66 0.00 0.00 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 R 7.32 4.50 0.00 1.83 1.78 0.00 3.23 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 120 D 8.45 4.56 0.00 2.64 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 0.00 121 V 8.16 4.59 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.06 0.00 0.00 122 R 8.03 4.07 0.00 1.97 2.02 0.00 3.15 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 123 Q 8.11 4.03 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.66 0.00 124 Y 8.01 4.28 0.00 3.24 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 0.00 125 V 7.75 4.34 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 0.97 0.00 0.00 1.05 0.00 0.00 126 Q 7.53 4.19 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 127 G 8.92 3.96 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 0.00 0.00 0.00 128 C 8.02 4.44 0.00 3.09 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 0.00 129 G 8.17 3.84 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 0.00 0.00 0.00 130 V 7.87 4.00 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 0.76 0.00 0.00 0.96 0.00 0.00