NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4066 8.1933 115.2884 58.1675 63.4729 173.6441 2 M 3.9127 8.6972 119.2972 57.4139 31.7857 176.3817 3 Q 4.0682 8.1234 117.5038 58.1990 30.2633 176.1076 4 D 4.5735 8.3534 117.1026 51.0476 42.5381 173.4084 5 P 4.4051 0.0000 0.0000 65.3042 31.6319 178.5329 6 I 3.6679 7.7872 119.1899 64.2812 37.1590 178.0567 7 A 3.9992 8.6909 121.8754 54.8529 18.0353 178.9046 8 D 4.2270 7.6374 115.6213 58.3380 41.2375 177.4737 9 M 3.8309 8.4479 117.5183 58.9700 32.0306 178.2187 10 L 3.8432 8.3630 118.1380 58.4474 42.1342 179.9326 11 T 3.9591 8.1048 112.7146 64.9089 67.2675 176.3905 12 R 3.9793 8.6617 121.3183 59.6757 29.9479 178.0341 13 I 3.6885 8.3609 120.2161 64.5961 37.0601 177.9965 14 R 3.5682 8.7166 117.3501 60.3607 30.0292 177.8604 15 N 4.4661 9.2081 116.3679 56.8068 38.8438 177.1010 16 G 3.7423 8.0766 106.7016 47.9706 0.0000 175.1600 17 Q 3.9388 8.7323 120.2219 58.6977 28.7525 179.6199 18 A 4.0645 8.0802 120.2475 55.1485 18.5290 179.3816 19 A 4.4452 8.1823 116.9541 52.3923 19.8873 176.7975 20 N 5.2286 8.7359 115.4795 54.5113 37.0809 174.6664 21 K 4.1959 8.2054 119.0320 55.9554 33.1148 176.3489 22 A 4.3057 8.7958 128.1999 54.0368 19.6366 176.6759 23 A 5.0150 7.9703 115.6480 50.0996 21.8098 176.4261 24 V 4.4314 8.5963 121.4078 61.4106 34.4775 175.0772 25 T 5.0835 8.7931 118.0122 59.5924 71.8229 173.4718 26 M 4.5757 7.9982 123.9679 54.3041 34.3003 173.1681 27 P 4.6057 0.0000 0.0000 63.7202 31.9311 175.8069 28 S 4.5792 8.9663 119.6353 57.6853 63.5691 173.2860 29 S 4.7689 8.3471 118.6465 55.5225 65.4018 174.7282 30 K 3.8305 8.8196 125.6234 59.7510 31.6826 179.3384 31 L 3.9528 7.9674 120.3211 57.9838 42.1006 178.7355 32 K 3.8059 8.0585 118.0988 60.1157 31.9574 178.3668 33 V 3.4467 8.0501 117.5199 66.3421 30.7864 177.4850 34 A 3.9796 7.9362 119.8011 55.6193 18.3359 179.8543 35 I 3.7061 7.8338 117.6388 64.4372 37.3130 178.2507 36 A 4.0428 8.5060 121.9836 55.1892 18.0980 178.9768 37 N 4.0870 8.5083 115.7973 56.9220 38.7858 176.8845 38 V 3.6068 7.1444 117.2558 66.3189 31.7875 177.4179 39 L 4.3466 7.8719 118.1370 58.1295 41.4535 179.3223 40 K 4.4617 8.1928 120.8017 58.6168 32.4264 178.3755 41 E 4.6807 8.3685 119.4627 55.8352 30.1833 177.1710 42 E 4.4470 7.9359 112.6852 56.4255 33.8956 176.4631 43 G 3.7699 8.3131 107.8499 45.2667 0.0000 174.5516 44 F 4.6690 8.1004 119.1740 58.7931 39.5696 175.8655 45 I 4.8146 7.3819 112.0735 58.6767 40.7286 175.6702 46 E 3.8973 9.2522 123.3574 58.1348 29.8041 176.6670 47 D 4.6473 7.3483 116.2481 52.7013 41.7831 176.6764 48 F 4.7433 8.7616 118.1235 57.0436 37.7373 173.3174 49 K 3.7898 8.5638 114.8204 54.7222 32.7563 174.5140 50 V 4.5611 7.9443 124.9371 59.9423 31.5624 175.4789 51 E 4.3767 8.2404 133.3757 55.5384 28.4049 175.8946 52 G 4.2460 7.4069 106.9172 44.0947 0.0000 168.6097 53 D 4.6699 8.0067 116.5056 54.1365 43.5692 177.1659 54 T 4.2850 7.8565 119.4712 63.0742 68.9754 175.4538 55 K 4.5519 7.5471 119.5499 52.7120 32.2846 172.3908 56 P 4.1119 0.0000 0.0000 63.2898 32.7928 175.1065 57 E 4.6961 8.7239 125.9136 53.8500 30.4406 174.4020 58 L 4.3655 8.6204 128.9306 54.8618 43.4549 175.0110 59 E 4.9692 9.6147 127.1626 54.3702 32.5065 174.6265 60 L 4.9839 9.2905 126.4232 53.3112 45.2524 175.6464 61 T 4.4616 8.5656 120.4929 62.0068 69.6445 174.7527 62 L 4.8372 8.4984 127.1818 54.5047 43.1651 176.7776 63 K 4.9873 8.5955 117.9095 55.1529 36.4717 175.5455 64 Y 5.1438 8.8636 120.2869 56.2425 43.0075 173.2603 65 F 5.0310 9.2327 125.7322 59.2962 39.1031 178.1196 66 Q 4.4915 8.9467 128.0002 55.8615 28.2244 177.9663 67 G 4.1412 8.6067 112.0945 46.3645 0.0000 172.3405 68 K 4.5179 8.3591 118.4476 55.0301 36.6295 175.1553 69 A 4.4996 7.9583 122.4995 50.5107 20.5528 177.6601 70 V 3.6482 7.9574 120.0058 65.7548 31.6185 176.9841 71 V 4.0399 7.3880 120.3075 61.1987 30.1315 174.5228 72 E 4.0892 8.8720 127.9622 58.4944 29.7186 177.7018 73 S 4.4537 7.4218 110.1044 57.4175 66.1428 173.6512 74 I 4.6756 8.5316 124.5756 59.3026 39.3136 173.5693 75 Q 4.6653 8.5777 127.9303 53.8852 31.2125 174.9298 76 R 4.2592 8.4392 123.8317 56.7808 31.2586 173.2564 77 V 3.7105 7.9088 124.9690 63.0595 31.4153 178.4026 78 S 4.2933 5.8100 107.7114 59.2279 63.3325 172.7957 79 R 4.7357 8.4880 121.2941 53.7771 32.9585 174.0399 80 P 4.1761 0.0000 0.0000 65.9894 30.9163 177.4980 81 G 3.7918 7.8834 104.2565 45.1016 0.0000 173.3955 82 L 4.5294 7.2885 117.6531 54.6576 44.3657 172.7717 83 R 3.9818 8.0956 122.0584 55.3938 31.2758 176.5416 84 I 4.2143 8.8353 122.8131 59.8450 40.2111 173.7593 85 Y 5.3950 8.2449 124.5631 56.0239 40.1994 175.6197 86 K 4.5647 8.8474 122.8303 54.8137 35.5147 177.2474 87 R 3.9920 9.0519 123.5875 56.6335 30.8344 178.3309 88 K 4.3303 7.5916 124.5060 58.2817 33.3540 176.5584 89 D 4.4017 8.2472 117.9512 55.3771 40.8339 176.4862 90 E 4.3597 7.9885 118.1387 55.7730 30.2550 175.4946 91 L 4.0926 7.8112 119.5751 54.7469 41.7681 175.0513 92 P 4.3397 0.0000 0.0000 62.1229 31.9819 175.7109 93 K 4.4982 8.2692 121.9110 54.5689 33.7407 176.2171 94 V 3.3515 8.1946 123.6174 63.6726 32.4290 175.6498 95 M 3.2083 9.1423 120.3528 56.9249 29.1175 177.8498 96 A 3.7753 8.5640 120.5585 52.3579 17.2014 177.7415 97 G 3.9143 8.1160 113.7758 46.2165 0.0000 174.7262 98 L 4.0045 7.2859 120.7567 55.1763 42.1379 177.0759 99 G 4.2340 8.7796 113.7957 44.8966 0.0000 171.7486 100 I 4.8469 8.4289 111.5231 58.9195 41.8201 173.8373 101 A 5.0636 8.6676 122.4443 50.1108 22.0761 175.9803 102 V 3.7707 8.4201 123.5086 63.8624 32.2118 175.6552 103 V 5.0953 9.1202 120.6036 59.5443 36.2538 174.2730 104 S 5.0358 8.9825 115.9643 56.8869 65.3510 172.8986 105 T 4.9884 9.2502 116.7351 59.3700 71.9651 175.1217 106 S 4.1681 8.8617 115.6548 60.5416 63.2306 174.9314 107 K 4.4211 7.5195 119.8273 55.7921 32.2723 175.5692 108 G 3.7178 7.9995 105.7626 44.3205 0.0000 172.6384 109 V 4.6388 7.8096 118.1040 60.6677 32.0471 174.9502 110 M 4.8227 8.1151 127.3199 53.1264 36.0614 174.7697 111 T 4.5816 8.1694 110.2562 61.4353 71.0189 175.5746 112 D 4.2401 8.8763 120.5073 57.0935 39.7497 178.7454 113 R 3.7767 8.0329 119.1539 59.2717 30.4793 177.1257 114 A 3.9676 8.1521 120.1975 54.5260 18.2490 178.8903 115 A 3.8969 8.4214 117.6367 55.1164 18.6240 179.8857 116 R 3.7848 8.6248 117.1702 59.7669 29.9810 178.5447 117 Q 4.0475 7.9247 116.1461 59.0376 28.8163 178.8003 118 A 4.4143 7.8913 117.4266 51.3132 18.5546 176.9854 119 G 4.0612 7.8156 106.9536 47.5566 0.0000 173.5220 120 L 4.8295 7.8430 117.3898 53.3288 43.5432 174.7873 121 G 4.7768 7.3651 106.4814 43.2764 0.0000 171.7664 122 G 4.5590 7.7850 103.5430 47.2630 0.0000 171.7179 123 E 5.4101 8.5051 123.1790 54.8928 31.4987 176.5622 124 I 4.5944 8.3660 121.2547 59.9411 37.1736 176.1814 125 I 3.8018 8.5586 131.0238 64.4794 38.1308 175.5531 126 C 4.5230 7.2873 114.0393 58.3192 32.4947 171.9899 127 Y 5.1684 8.7397 116.7210 56.6255 40.8008 175.5313 128 V 4.7368 8.9800 120.1651 61.5557 35.9183 174.4627 129 A 4.3609 7.9894 126.0017 52.5864 19.0470 176.1748 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 8.19 4.41 0.00 3.87 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 2 M 8.70 3.91 0.00 2.12 2.13 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 2.61 2.62 0.00 3 Q 8.12 4.07 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 4 D 8.35 4.57 0.00 2.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.41 0.00 2.30 2.29 0.00 3.74 0.00 0.00 3.94 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 6 I 7.79 3.67 1.96 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 1.56 0.95 0.89 0.00 0.00 7 A 8.69 4.00 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 8 D 7.64 4.23 0.00 2.81 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 9 M 8.45 3.83 0.00 2.25 1.99 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 2.62 2.62 0.00 10 L 8.36 3.84 0.00 1.88 1.68 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.10 3.96 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 1.27 0.00 0.00 12 R 8.66 3.98 0.00 2.17 1.92 0.00 3.38 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 13 I 8.36 3.69 2.08 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 1.42 0.73 0.89 0.00 0.00 14 R 8.72 3.57 0.00 1.90 1.95 0.00 3.09 0.00 0.00 3.14 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 15 N 9.21 4.47 0.00 2.81 2.88 0.00 0.00 7.06 7.39 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 16 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 17 Q 8.73 3.94 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 18 A 8.08 4.06 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 19 A 8.18 4.45 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 20 N 8.74 5.23 0.00 2.86 2.94 0.00 0.00 6.91 7.39 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 21 K 8.21 4.20 0.00 1.91 1.78 0.00 1.83 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.56 7.81 22 A 8.80 4.31 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 23 A 7.97 5.02 1.21 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 0.00 0.00 0.00 24 V 8.60 4.43 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 1.02 0.00 0.00 1.01 0.00 0.00 25 T 8.79 5.08 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 26 M 8.00 4.58 0.00 2.14 2.25 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 2.35 2.29 0.00 27 P 0.00 4.61 0.00 1.96 2.07 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 28 S 8.97 4.58 0.00 3.99 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 29 S 8.35 4.77 0.00 3.84 3.63 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 30 K 8.82 3.83 0.00 1.80 1.86 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.46 7.81 31 L 7.97 3.95 0.00 1.77 1.65 0.92 0.48 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 32 K 8.06 3.81 0.00 2.11 1.89 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.53 7.81 33 V 8.05 3.45 2.30 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 0.88 0.00 0.00 0.97 0.00 0.00 34 A 7.94 3.98 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 35 I 7.83 3.71 2.04 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 1.46 1.22 0.91 0.00 0.00 36 A 8.51 4.04 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 37 N 8.51 4.09 0.00 2.56 3.00 0.00 0.00 6.81 7.52 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 38 V 7.14 3.61 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 0.96 0.00 0.00 0.99 0.00 0.00 39 L 7.87 4.35 0.00 2.05 1.85 0.94 0.76 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 40 K 8.19 4.46 0.00 1.98 2.04 0.00 1.84 0.00 0.00 2.03 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.57 7.81 41 E 8.37 4.68 0.00 2.01 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 2.32 2.38 0.00 42 E 7.94 4.45 0.00 2.17 1.83 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 2.31 2.33 0.00 43 G 8.31 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 44 F 8.10 4.67 0.00 3.23 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 45 I 7.38 4.81 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.25 1.00 0.00 0.00 46 E 9.25 3.90 0.00 1.98 2.15 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 2.33 2.27 0.00 47 D 7.35 4.65 0.00 2.80 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 48 F 8.76 4.74 0.00 3.22 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 49 K 8.56 3.79 0.00 2.00 2.22 0.00 1.57 0.00 0.00 1.98 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.07 0.82 7.81 50 V 7.94 4.56 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 0.87 0.00 0.00 0.98 0.00 0.00 51 E 8.24 4.38 0.00 1.96 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 2.28 2.35 0.00 52 G 7.41 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 0.00 0.00 0.00 0.00 53 D 8.01 4.67 0.00 2.65 2.53 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 54 T 7.86 4.29 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 55 K 7.55 4.55 0.00 1.74 1.70 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 P 0.00 4.11 0.00 2.08 2.05 0.00 3.55 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 2.13 2.13 0.00 57 E 8.72 4.70 0.00 1.93 1.87 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 2.19 2.34 0.00 58 L 8.62 4.37 0.00 1.80 1.70 0.99 0.95 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 59 E 9.61 4.97 0.00 1.94 1.89 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 2.21 2.40 0.00 60 L 9.29 4.98 0.00 1.60 1.57 0.97 0.65 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 61 T 8.57 4.46 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 62 L 8.50 4.84 0.00 1.95 2.02 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.60 4.99 0.00 1.73 1.73 0.00 1.76 0.00 0.00 1.97 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.52 7.81 64 Y 8.86 5.14 0.00 2.97 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 65 F 9.23 5.03 0.00 2.91 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 66 Q 8.95 4.49 0.00 2.12 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 67 G 8.61 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 68 K 8.36 4.52 0.00 1.82 1.70 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.41 7.81 69 A 7.96 4.50 0.77 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 70 V 7.96 3.65 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 0.78 0.00 0.00 0.98 0.00 0.00 71 V 7.39 4.04 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 0.65 0.00 0.00 0.94 0.00 0.00 72 E 8.87 4.09 0.00 1.97 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 2.34 2.31 0.00 73 S 7.42 4.45 0.00 3.87 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 74 I 8.53 4.68 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.89 0.00 0.00 75 Q 8.58 4.67 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 76 R 8.44 4.26 0.00 1.76 1.74 0.00 3.46 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 77 V 7.91 3.71 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 0.51 0.00 0.00 -0.11 0.00 0.00 78 S 5.81 4.29 0.00 3.91 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 79 R 8.49 4.74 0.00 1.80 1.90 0.00 2.80 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 80 P 0.00 4.18 0.00 2.18 2.23 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 81 G 7.88 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 82 L 7.29 4.53 0.00 1.60 1.44 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.10 3.98 0.00 1.55 1.23 0.00 3.39 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 84 I 8.84 4.21 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.43 0.83 0.00 0.00 85 Y 8.24 5.40 0.00 2.85 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 86 K 8.85 4.56 0.00 1.79 1.71 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 87 R 9.05 3.99 0.00 1.84 1.94 0.00 3.22 0.00 0.00 3.23 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 88 K 7.59 4.33 0.00 1.93 2.02 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.25 7.81 89 D 8.25 4.40 0.00 2.68 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 90 E 7.99 4.36 0.00 1.94 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 2.25 2.33 0.00 91 L 7.81 4.09 0.00 1.91 1.64 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.34 0.00 2.20 2.17 0.00 3.79 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 2.12 2.16 0.00 93 K 8.27 4.50 0.00 1.81 1.82 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.34 7.81 94 V 8.19 3.35 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 0.96 0.00 0.00 0.54 0.00 0.00 95 M 9.14 3.21 0.00 2.19 2.53 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 2.61 2.50 0.00 96 A 8.56 3.78 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 97 G 8.12 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 0.00 0.00 0.00 98 L 7.29 4.00 0.00 1.65 1.62 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.78 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 0.00 100 I 8.43 4.85 1.97 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 1.00 0.00 0.00 101 A 8.67 5.06 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 0.00 102 V 8.42 3.77 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 0.94 0.00 0.00 0.96 0.00 0.00 103 V 9.12 5.10 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 0.93 0.00 0.00 1.06 0.00 0.00 104 S 8.98 5.04 0.00 3.88 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 0.00 105 T 9.25 4.99 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 1.23 0.00 0.00 106 S 8.86 4.17 0.00 3.98 4.02 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 0.00 0.00 0.00 107 K 7.52 4.42 0.00 1.80 1.82 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.34 7.81 108 G 8.00 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 0.00 109 V 7.81 4.64 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 1.14 0.00 0.00 0.93 0.00 0.00 110 M 8.12 4.82 0.00 1.99 1.98 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 2.59 2.50 0.00 111 T 8.17 4.58 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 1.28 0.00 0.00 112 D 8.88 4.24 0.00 2.84 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 0.00 113 R 8.03 3.78 0.00 1.84 2.02 0.00 3.25 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 114 A 8.15 3.97 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 0.00 115 A 8.42 3.90 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 0.00 116 R 8.62 3.78 0.00 2.11 2.10 0.00 3.17 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 117 Q 7.92 4.05 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.29 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 118 A 7.89 4.41 1.28 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 0.00 0.00 119 G 7.82 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 0.00 120 L 7.84 4.83 0.00 1.71 1.62 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.37 4.78 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 0.00 0.00 0.00 122 G 7.79 4.56 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 0.00 123 E 8.51 5.41 0.00 2.58 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 0.00 2.38 2.51 0.00 124 I 8.37 4.59 1.93 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 1.15 0.50 0.97 0.00 0.00 125 I 8.56 3.80 1.98 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 0.81 0.89 0.00 0.00 126 C 7.29 4.52 0.00 3.10 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 0.00 127 Y 8.74 5.17 0.00 2.81 2.70 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 0.00 128 V 8.98 4.74 1.65 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 0.38 0.00 0.00 0.81 0.00 0.00 129 A 7.99 4.36 1.21 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 0.00 0.00 0.00