NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4076 8.3044 120.3274 54.8113 33.4800 174.1218 2 E 3.8593 8.3170 120.5470 55.0295 30.1825 174.6589 3 A 4.0406 9.3463 129.6526 52.6878 19.8647 177.1533 4 L 3.9910 8.5631 123.1992 56.6253 41.9091 178.6567 5 G 3.9050 10.0120 104.1065 44.7792 0.0000 172.3074 6 A 4.7002 7.3754 117.3380 50.7269 22.3122 176.3952 7 D 4.6871 8.9587 121.9893 53.3990 42.3284 175.6753 8 V 4.5485 8.4292 123.7450 61.4690 33.6142 175.0467 9 T 4.4483 7.7707 122.2927 61.6947 69.2907 174.6908 10 Q 3.9232 8.8409 126.6079 56.5196 28.7734 177.2944 11 G 3.8808 8.7941 111.6178 45.7344 0.0000 172.7368 12 L 4.7807 8.0460 120.1994 52.8756 44.8378 174.9533 13 E 5.0384 8.4308 119.0168 53.8469 33.3329 175.2712 14 K 4.1764 8.0993 121.6240 57.8817 32.2603 176.9598 15 G 4.0392 9.1795 115.4692 45.0185 0.0000 173.8723 16 S 4.2595 7.9381 116.8567 58.6276 64.0550 173.3040 17 L 5.0063 8.4703 124.5557 53.5567 42.6564 175.7667 18 I 4.6765 9.0864 117.4161 59.0101 41.6264 174.6323 19 T 4.4025 8.5632 118.9330 63.3260 69.9564 174.2657 20 C 4.7797 8.4407 126.2010 57.1624 31.6002 174.2951 21 A 4.5230 8.4225 134.9510 50.2022 16.0753 174.6132 22 D 4.8595 7.6366 119.4231 53.7177 42.3247 175.5266 23 N 4.9913 8.3987 115.0529 52.9023 37.6068 176.2268 24 T 3.8928 7.6163 110.9606 64.0853 69.2391 175.0886 25 G 3.9566 8.3667 108.6259 45.0235 0.0000 172.5883 26 A 4.8125 7.3661 122.0798 51.0426 20.4661 176.6422 27 R 4.4032 8.9542 122.3110 57.4992 32.2278 176.0636 28 E 5.1171 8.0433 119.0732 54.2060 32.7160 174.2122 29 L 5.2608 9.1323 126.2298 52.7683 45.3722 175.1095 30 K 4.8789 8.7590 124.0663 54.3659 34.7816 175.2778 31 V 4.0323 8.6862 128.5625 63.6061 32.0116 175.5064 32 I 4.1849 8.8308 128.8377 62.8371 38.4724 175.9011 33 S 4.7416 7.7467 115.2192 57.0785 68.1709 172.5444 34 V 4.6423 8.1062 120.1486 61.0164 33.9374 174.3503 35 H 4.1643 9.0194 128.6936 57.6733 30.0697 175.5156 36 G 3.9004 8.6614 113.7969 45.8412 0.0000 172.4176 37 Y 4.4921 7.5396 120.3734 56.2450 40.0104 174.9595 38 S 4.3530 7.1772 119.7852 56.8481 65.8665 173.4248 39 G 3.9877 8.1958 124.2332 45.6370 0.0000 172.2765 40 T 4.5937 8.0900 116.8373 59.6049 70.7750 172.9542 41 K 3.9753 8.4962 125.2987 58.2852 32.2539 176.9814 42 N 4.5383 8.9893 121.6083 53.6249 37.2781 174.5135 43 R 4.0707 7.5848 118.7529 56.0419 30.6297 175.4642 44 H 4.5249 8.7131 123.2409 54.4944 29.4613 173.1272 45 P 4.4243 0.0000 0.0000 63.1715 31.9520 175.2154 46 K 4.7351 8.0329 124.1377 55.5394 34.1584 175.8342 47 A 4.6781 9.0804 125.2351 50.3064 22.5684 175.3481 48 G 4.2871 9.0702 107.0468 44.3910 0.0000 171.2344 49 L 4.1171 8.6437 122.3577 56.9631 41.9865 177.4568 50 G 4.1680 8.9799 114.9562 45.0386 0.0000 172.8224 51 D 4.8258 8.0138 120.1254 53.4393 42.9252 175.4200 52 K 4.7624 8.7028 123.6362 55.2624 33.6997 175.2470 53 I 5.0026 8.6456 120.9349 59.4398 41.3546 174.2636 54 T 4.9233 8.7637 119.9538 62.3541 70.5065 174.4859 55 V 5.1351 9.2629 118.4656 59.6519 36.7351 174.3623 56 S 5.1358 8.7506 116.2663 56.5536 66.4543 173.4434 57 V 4.2307 8.1272 122.7763 63.0340 31.6811 176.5419 58 T 4.0282 8.7528 125.6798 66.0298 68.8579 175.4508 59 K 4.5635 9.2232 120.0026 53.9727 35.6937 177.0633 60 G 4.0568 8.1819 109.1276 45.6285 0.0000 172.1296 61 T 4.1060 7.7608 110.9073 60.6773 69.5562 173.5885 62 P 4.1817 0.0000 0.0000 66.3035 31.3177 178.4465 63 E 4.1359 8.0114 115.8474 59.4921 29.6043 178.6225 64 M 4.1925 7.4756 117.4600 57.0148 32.3377 177.6192 65 R 3.9328 7.6123 117.9694 57.6190 30.7284 178.1942 66 R 4.0767 8.4004 118.3461 56.6009 29.4445 176.9484 67 Q 4.1288 7.5123 117.4843 55.7905 30.0665 175.7291 68 V 4.4572 8.3610 123.6237 61.7896 31.9039 174.5190 69 L 4.9166 8.7334 127.4802 52.7585 45.8798 175.4994 70 E 4.9705 8.5283 118.9343 55.5873 31.7428 175.2552 71 A 5.0428 9.1810 123.7143 50.6217 23.9889 174.8079 72 V 4.4233 8.2363 117.9001 60.9505 34.8486 174.7278 73 V 4.0624 8.5823 128.5236 63.2081 30.4893 176.0169 74 V 3.8873 8.8619 128.5151 64.2984 33.1192 175.7292 75 R 4.0122 7.4752 117.8843 54.0896 34.2292 174.4159 76 Q 4.9185 7.8441 117.9390 55.1158 31.5561 175.8907 77 R 4.2911 9.1453 120.5969 58.5627 30.4631 177.6630 78 K 4.2479 7.8628 118.6487 55.3954 31.7141 175.3648 79 P 4.8458 0.0000 0.0000 62.9070 32.8050 175.1078 80 I 4.8465 8.4570 115.0352 59.1581 41.3670 174.0098 81 R 5.0296 9.0564 124.2851 54.8387 31.9723 175.8756 82 R 4.6082 8.7643 125.6763 54.6185 31.2511 175.8569 83 P 4.2812 0.0000 0.0000 65.4699 31.4047 176.9178 84 D 4.6717 8.1146 116.2266 53.0249 39.4329 176.7845 85 G 4.1701 8.2449 111.1089 46.2946 0.0000 175.0514 86 T 4.0015 7.2974 115.9468 64.0674 69.4752 173.8111 87 R 4.9853 8.4677 123.9023 54.9405 32.4652 175.9397 88 V 4.4317 8.5900 122.1267 60.9393 34.3361 174.4212 89 K 5.0015 8.5067 125.9836 55.2046 35.4892 175.1912 90 F 4.7268 8.7396 119.7868 55.6435 41.8303 176.5999 91 E 4.0486 9.0386 120.7487 58.7337 29.6396 175.2598 92 D 4.9515 7.7999 115.5970 51.9932 43.5126 174.0380 93 N 5.1764 8.6585 114.8120 51.6500 40.7101 174.2662 94 A 5.2452 9.0237 124.7760 50.3828 23.2990 174.4710 95 A 5.0098 9.0617 120.5377 50.2117 23.5927 175.1919 96 V 4.4939 8.1989 119.2316 60.7453 34.4451 175.1602 97 I 4.3131 8.3954 128.8909 61.5290 37.9670 175.3252 98 V 4.9018 8.5991 126.1320 61.3713 35.2757 174.8976 99 D 4.9271 8.1541 124.2522 51.7585 41.8483 176.2852 100 E 3.9080 8.8092 118.3709 59.5529 29.6475 177.9331 101 N 4.7266 8.2417 113.1932 52.6851 38.6838 174.6420 102 E 3.8136 7.9930 115.6588 57.3570 27.7035 173.7039 103 D 5.0891 8.4174 118.6498 51.1099 42.2255 174.5864 104 P 4.6798 0.0000 0.0000 62.8716 31.7600 176.5639 105 R 3.9009 8.6395 122.5806 58.8060 30.2517 176.6624 106 G 4.0543 7.6776 105.5070 44.7447 0.0000 172.2141 107 T 4.3470 8.4562 114.1965 64.3324 69.8504 175.1016 108 E 4.7850 8.1049 119.7091 54.4043 32.5504 174.9989 109 L 4.8795 8.4355 123.0160 53.0744 43.7498 175.9634 110 K 4.2987 8.2748 123.6030 56.1336 33.4635 177.9737 111 G 3.9212 8.8308 113.4757 43.7825 0.0000 170.7658 112 P 4.8823 0.0000 0.0000 62.7409 32.5057 175.4627 113 I 4.7675 8.3705 118.9365 59.4580 42.0620 174.5552 114 A 5.1951 7.9535 124.4034 51.0464 19.7596 179.1229 115 R 3.9713 8.8401 119.0653 59.4343 28.7836 179.3190 116 E 4.0457 8.1857 118.9469 58.9576 29.4878 179.0804 117 V 3.7564 7.8939 118.2290 65.7972 31.4137 177.8955 118 A 4.0716 7.9887 119.1958 55.2850 18.3209 178.9251 119 Q 4.0304 7.7306 117.2547 58.9908 29.1815 178.0460 120 R 4.0149 7.4820 118.1533 57.7925 30.7589 176.5117 121 F 4.7374 8.2257 121.6190 55.0739 39.2016 176.1541 122 G 3.6897 8.5731 115.5951 48.4209 0.0000 173.6430 123 S 4.4514 8.0276 112.8754 59.1630 63.5572 175.9354 124 V 3.7593 7.4409 120.2389 64.9547 31.9957 177.1282 125 A 4.1668 8.0431 122.9291 55.1481 18.7922 178.7702 126 S 4.6692 7.9901 110.9686 57.5290 62.8679 174.9075 127 A 4.4141 7.4516 119.9109 53.6873 24.5263 176.9493 128 A 4.2542 7.9661 120.3854 52.0961 19.1342 177.8011 129 T 4.1053 8.7014 120.4967 66.2497 69.1154 174.9331 130 M 4.8761 7.8809 119.9362 53.4048 35.7035 174.7807 131 I 4.7934 8.4432 122.8918 59.6912 40.5311 175.5660 132 V 4.0455 8.8936 127.1977 62.8565 31.5735 175.4006 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 M 8.30 4.41 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 2 E 8.32 3.86 0.00 1.93 1.73 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 2.24 2.33 0.00 3 A 9.35 4.04 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 4 L 8.56 3.99 0.00 1.66 1.75 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 G 10.01 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 6 A 7.38 4.70 1.22 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 0.00 0.00 7 D 8.96 4.69 0.00 2.66 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 8 V 8.43 4.55 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 0.85 0.00 0.00 1.00 0.00 0.00 9 T 7.77 4.45 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 10 Q 8.84 3.92 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 11 G 8.79 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 0.00 0.00 0.00 12 L 8.05 4.78 0.00 1.70 1.50 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.43 5.04 0.00 1.98 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 2.21 2.20 0.00 14 K 8.10 4.18 0.00 1.66 1.69 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.62 7.81 15 G 9.18 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 0.00 0.00 0.00 0.00 16 S 7.94 4.26 0.00 3.88 3.78 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 17 L 8.47 5.01 0.00 1.51 1.60 0.95 0.83 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 18 I 9.09 4.68 1.98 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 1.32 0.93 0.88 0.00 0.00 19 T 8.56 4.40 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 1.20 0.00 0.00 20 C 8.44 4.78 0.00 2.96 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 21 A 8.42 4.52 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 22 D 7.64 4.86 0.00 2.71 2.61 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 0.00 0.00 0.00 0.00 23 N 8.40 4.99 0.00 2.82 2.91 0.00 0.00 5.97 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 24 T 7.62 3.89 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 1.23 0.00 0.00 25 G 8.37 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 26 A 7.37 4.81 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 27 R 8.95 4.40 0.00 1.87 1.95 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 28 E 8.04 5.12 0.00 1.99 1.82 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 2.23 2.35 0.00 29 L 9.13 5.26 0.00 1.52 1.48 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.76 4.88 0.00 1.77 1.74 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 31 V 8.69 4.03 2.22 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 0.83 0.00 0.00 0.94 0.00 0.00 32 I 8.83 4.18 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.91 0.00 0.00 33 S 7.75 4.74 0.00 3.73 3.73 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 34 V 8.11 4.64 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 0.95 0.00 0.00 0.82 0.00 0.00 35 H 9.02 4.16 0.00 3.20 3.34 0.00 6.08 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 36 G 8.66 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 37 Y 7.54 4.49 0.00 2.89 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 38 S 7.18 4.35 0.00 3.68 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 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 40 T 8.09 4.59 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 1.23 0.00 0.00 41 K 8.50 3.98 0.00 1.75 1.74 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 N 8.99 4.54 0.00 2.95 3.01 0.00 0.00 7.04 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 43 R 7.58 4.07 0.00 1.85 2.07 0.00 3.37 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 44 H 8.71 4.52 0.00 3.28 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.42 0.00 2.06 2.40 0.00 3.73 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 46 K 8.03 4.74 0.00 1.67 1.77 0.00 1.51 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.22 1.20 7.81 47 A 9.08 4.68 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 48 G 9.07 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 49 L 8.64 4.12 0.00 1.75 1.64 0.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.98 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.83 0.00 2.79 2.61 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 0.00 0.00 0.00 0.00 52 K 8.70 4.76 0.00 1.99 1.74 0.00 1.61 0.00 0.00 2.05 0.00 0.00 2.59 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.39 7.81 53 I 8.65 5.00 1.95 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 1.16 0.75 0.87 0.00 0.00 54 T 8.76 4.92 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 1.26 0.00 0.00 55 V 9.26 5.14 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 0.74 0.00 0.00 0.97 0.00 0.00 56 S 8.75 5.14 0.00 3.84 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 57 V 8.13 4.23 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 0.94 0.00 0.00 0.94 0.00 0.00 58 T 8.75 4.03 4.33 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 1.25 0.00 0.00 59 K 9.22 4.56 0.00 1.65 1.65 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.18 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 0.00 0.00 0.00 0.00 61 T 7.76 4.11 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 1.24 0.00 0.00 62 P 0.00 4.18 0.00 2.03 2.18 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 63 E 8.01 4.14 0.00 1.93 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 2.31 2.33 0.00 64 M 7.48 4.19 0.00 2.10 2.11 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 2.75 2.71 0.00 65 R 7.61 3.93 0.00 1.99 1.85 0.00 3.20 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 66 R 8.40 4.08 0.00 2.02 2.11 0.00 3.16 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 Q 7.51 4.13 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.36 4.46 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.73 4.92 0.00 1.57 1.48 0.90 0.65 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 70 E 8.53 4.97 0.00 2.01 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 2.32 2.29 0.00 71 A 9.18 5.04 1.10 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 0.00 0.00 72 V 8.24 4.42 1.67 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 0.41 0.00 0.00 -0.25 0.00 0.00 73 V 8.58 4.06 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 0.83 0.00 0.00 0.91 0.00 0.00 74 V 8.86 3.89 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 0.77 0.00 0.00 0.90 0.00 0.00 75 R 7.48 4.01 0.00 1.59 1.39 0.00 3.24 0.00 0.00 3.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.32 0.00 76 Q 7.84 4.92 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 77 R 9.15 4.29 0.00 1.94 2.07 0.00 3.14 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.56 0.00 78 K 7.86 4.25 0.00 1.77 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.85 0.00 2.13 1.96 0.00 3.60 0.00 0.00 3.96 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 80 I 8.46 4.85 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.99 0.00 0.00 81 R 9.06 5.03 0.00 1.85 1.83 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 82 R 8.76 4.61 0.00 2.11 1.83 0.00 3.20 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 83 P 0.00 4.28 0.00 2.04 2.14 0.00 3.67 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 2.04 2.10 0.00 84 D 8.11 4.67 0.00 2.78 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 85 G 8.24 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.30 4.00 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 1.19 0.00 0.00 87 R 8.47 4.99 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.59 4.43 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 0.72 0.00 0.00 0.89 0.00 0.00 89 K 8.51 5.00 0.00 1.97 1.72 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.38 7.81 90 F 8.74 4.73 0.00 3.23 3.04 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 0.00 91 E 9.04 4.05 0.00 1.98 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 2.31 2.26 0.00 92 D 7.80 4.95 0.00 2.66 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 93 N 8.66 5.18 0.00 2.62 2.72 0.00 0.00 6.45 7.08 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 94 A 9.02 5.25 1.15 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 0.00 0.00 95 A 9.06 5.01 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 96 V 8.20 4.49 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 0.91 0.00 0.00 0.90 0.00 0.00 97 I 8.40 4.31 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.72 0.91 0.00 0.00 98 V 8.60 4.90 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 0.68 0.00 0.00 0.83 0.00 0.00 99 D 8.15 4.93 0.00 2.94 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 0.00 100 E 8.81 3.91 0.00 1.95 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 2.30 2.34 0.00 101 N 8.24 4.73 0.00 2.87 2.82 0.00 0.00 6.95 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 0.00 102 E 7.99 3.81 0.00 2.28 2.25 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 2.31 2.33 0.00 103 D 8.42 5.09 0.00 2.99 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.68 0.00 2.15 2.03 0.00 3.77 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 1.98 2.07 0.00 105 R 8.64 3.90 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.68 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 0.00 0.00 0.00 107 T 8.46 4.35 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 0.00 108 E 8.10 4.78 0.00 1.89 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 2.29 2.30 0.00 109 L 8.44 4.88 0.00 1.50 1.56 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.27 4.30 0.00 1.57 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.38 7.81 111 G 8.83 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 0.00 112 P 0.00 4.88 0.00 2.29 2.17 0.00 3.77 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 2.17 2.12 0.00 113 I 8.37 4.77 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.93 0.00 0.00 114 A 7.95 5.20 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 0.00 115 R 8.84 3.97 0.00 2.10 2.26 0.00 2.79 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.19 4.05 0.00 2.13 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 2.49 2.48 0.00 117 V 7.89 3.76 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 1.29 0.00 0.00 1.01 0.00 0.00 118 A 7.99 4.07 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 0.00 119 Q 7.73 4.03 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 120 R 7.48 4.01 0.00 1.76 1.70 0.00 3.04 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 121 F 8.23 4.74 0.00 3.16 2.93 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 0.00 122 G 8.57 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 0.00 0.00 0.00 123 S 8.03 4.45 0.00 4.04 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 0.00 124 V 7.44 3.76 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 0.74 0.00 0.00 0.90 0.00 0.00 125 A 8.04 4.17 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.99 4.67 0.00 4.05 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 0.00 127 A 7.45 4.41 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 0.00 128 A 7.97 4.25 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 0.00 129 T 8.70 4.11 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 0.00 130 M 7.88 4.88 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.44 4.79 1.90 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 1.27 0.63 0.95 0.00 0.00 132 V 8.89 4.05 2.17 0.00 0.00 0.00 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