NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3051 8.0976 119.6999 55.6988 31.8244 176.0320 4 P 4.2863 0.0000 0.0000 62.4769 32.1906 174.1781 5 E 4.2682 8.7497 117.4037 57.5068 31.4619 179.7958 6 S 3.9648 7.5572 116.4079 61.8242 62.7440 176.0477 7 E 3.9465 7.8288 120.7104 58.9468 29.3134 178.7826 8 L 4.0390 7.7523 118.9248 57.6591 41.7336 179.3650 9 I 3.5739 7.8564 119.8813 64.3401 36.5702 178.6535 10 R 4.0644 8.1539 119.0746 59.4990 29.6987 179.2258 11 Q 4.1184 8.3122 117.1920 59.0250 28.8302 178.7415 12 S 4.4491 8.2108 114.1149 60.8457 63.4719 175.8309 13 W 4.6266 8.7920 132.1798 59.5625 30.6020 178.1293 14 R 3.9428 7.7985 117.4753 58.6816 28.4979 178.5669 15 V 3.5810 7.7999 117.6789 65.9988 31.7776 177.9816 16 V 2.9573 7.2121 118.1878 64.3475 31.2398 178.1535 17 S 3.7412 7.6297 114.8624 60.5997 62.5380 176.4069 18 R 4.1987 7.2051 119.7676 57.5787 31.4467 177.1772 19 S 4.6619 7.7038 113.3399 55.1416 63.3443 172.7376 20 P 4.1819 0.0000 0.0000 66.4323 31.4925 178.4943 21 L 3.9455 7.7788 119.7249 57.8099 41.9984 178.4604 22 E 3.9023 8.0551 118.0743 59.8448 29.5639 178.9874 23 H 4.1680 8.1498 116.1622 58.7572 28.6631 178.1581 24 G 3.7656 8.5308 107.9368 48.0034 0.0000 175.8624 25 T 3.9774 8.2283 118.2464 66.4969 68.3838 176.7605 26 V 3.6050 7.5671 120.1166 65.8756 31.4874 177.6460 27 L 3.8455 7.7702 119.7469 58.4576 41.9148 179.1175 28 F 3.6577 8.5556 117.5511 60.0023 38.7948 177.6344 29 A 4.0789 8.4129 121.0240 55.1803 18.2097 179.6679 30 R 3.5556 8.2145 117.5329 59.2676 30.0136 178.3511 31 L 3.8801 7.7138 121.6639 57.7004 41.8095 179.0602 32 F 4.6125 7.8531 115.8728 60.1455 38.8902 177.3761 33 A 4.1726 7.7457 120.2529 54.9737 18.2311 179.2514 34 L 4.2923 7.8668 116.7014 56.3790 43.2412 177.3546 35 E 4.7013 8.4735 119.8839 53.7353 30.1282 173.4084 36 P 4.5938 0.0000 0.0000 64.3530 31.9898 179.1429 37 S 4.3371 8.0344 112.6530 59.9857 63.3606 175.3046 38 L 4.4118 8.1827 121.4177 56.1279 41.6538 178.2811 39 L 3.6859 8.0753 121.4209 57.6867 41.7826 176.9096 40 P 4.3938 0.0000 0.0000 64.4581 31.3651 177.9504 41 L 4.1452 7.9261 117.4526 55.7234 42.3916 177.3578 42 F 4.3104 7.6194 117.8579 55.5008 37.6932 173.1635 43 Q 4.2427 7.5591 121.6253 53.7365 30.6146 174.9369 44 Y 4.7311 7.2095 120.2287 57.2113 41.0194 175.5679 45 N 4.0639 9.4112 119.6363 54.9133 36.0699 174.1074 46 G 4.0429 8.3259 101.3847 46.5937 0.0000 174.1867 47 R 4.5656 7.4921 115.7607 53.9071 34.1886 174.4021 48 Q 4.3834 8.1710 121.3240 53.9666 30.6329 175.3690 49 F 4.4974 7.9776 123.8488 57.7880 39.5674 175.6792 50 S 4.3095 9.0031 122.1522 60.9101 63.3149 174.5924 51 S 4.7717 8.6850 114.9478 55.1761 66.6242 173.1393 52 P 3.9216 0.0000 0.0000 65.8351 30.4913 178.8154 53 E 3.9799 8.1500 115.5794 59.4323 29.3769 178.8237 54 D 4.3267 7.9926 120.3592 57.1714 40.8465 178.7120 55 S 2.7900 7.1566 114.7336 60.6065 62.4834 176.3251 56 L 4.2225 7.2084 120.1786 56.4574 41.5163 177.7557 57 S 4.3919 7.5008 111.5822 58.6883 63.7904 174.4469 58 S 4.6344 7.8103 117.8445 56.5785 63.2666 172.3838 59 P 4.2118 0.0000 0.0000 66.0844 31.0291 178.2780 60 E 3.6801 7.9681 117.7851 58.9540 29.2364 178.9541 61 F 4.1074 8.0555 120.4820 61.3383 39.5158 177.1638 62 L 3.7595 8.2183 118.8690 57.8095 41.3630 179.2731 63 D 4.3090 8.3544 119.3325 57.3971 40.6316 178.2401 64 H 4.0703 8.0305 118.8621 59.1245 29.7368 177.2585 65 I 3.3131 7.2286 121.6616 64.4315 36.9035 178.4933 66 R 3.9125 7.8450 118.6371 59.2032 29.8589 179.2686 67 K 3.9763 8.0347 118.1487 59.4323 32.0557 179.4225 68 V 3.7149 7.8734 118.4988 66.5740 31.4219 178.0497 69 M 4.3537 8.4972 118.5736 58.3355 31.7354 178.5531 70 L 4.0815 8.2928 120.7879 58.0338 42.2577 179.1915 71 V 3.6932 8.0278 118.4838 65.8601 31.4118 178.1552 72 I 3.7285 8.1587 119.8820 64.2642 36.8265 177.7572 73 D 4.1828 8.5700 118.8892 57.3066 41.0343 178.2776 74 A 3.9324 8.2766 121.1109 54.9483 18.1419 179.3708 75 A 3.8536 7.7953 118.3403 55.2266 18.8080 179.6382 76 V 3.3990 7.5920 116.7141 66.5432 31.3360 178.2182 77 T 3.9365 7.8363 114.1298 66.0519 68.5106 175.2276 78 N 4.9349 7.7910 117.2450 53.0598 39.4365 177.5086 79 V 3.5523 7.4337 123.9054 64.9774 31.4280 176.7680 80 E 4.0320 8.0904 117.2348 57.7566 29.5648 175.6151 81 D 4.5194 7.5683 115.5464 50.7012 44.0336 175.3522 82 L 4.2039 8.3913 122.8626 55.2779 41.9435 175.7928 83 S 4.3210 8.1725 112.3619 60.5359 62.9060 175.8972 84 S 4.1785 7.4252 113.5749 60.4494 62.2934 174.7858 85 L 4.6452 7.6704 119.5953 54.0191 41.8823 177.5840 86 E 3.9472 7.8968 119.6642 60.1068 29.1576 179.3558 87 E 4.0176 8.1638 119.2231 58.6061 29.6346 178.4423 88 Y 3.9981 7.9926 119.2780 60.7707 38.8607 178.0926 89 L 3.9394 8.2508 120.0616 57.9432 41.6730 179.6634 90 T 4.0261 8.0460 116.1032 66.5564 68.4989 176.9005 91 S 4.0553 8.2542 116.6011 61.2959 63.1167 176.2859 92 L 3.9648 8.0252 124.4911 57.6463 41.7604 179.1834 93 G 4.3348 8.3041 107.4420 47.4247 0.0000 175.4721 94 R 3.6259 7.9765 121.3968 58.9845 29.8538 178.4704 95 K 3.8569 7.8639 118.9151 59.6071 32.1352 178.5415 96 H 4.0157 8.0239 116.1207 58.7994 28.6621 177.6602 97 R 3.3513 6.9440 120.0651 59.0842 29.4728 178.0023 98 A 3.8971 7.2809 119.2649 55.3890 18.3887 179.2478 99 V 3.9630 7.1286 107.0923 61.3976 31.6993 177.1135 100 G 3.9438 7.9754 107.2095 45.3623 0.0000 174.1886 101 V 4.0264 7.4530 112.6530 60.5810 32.6523 176.1156 102 R 4.7284 8.2709 122.2598 54.9142 31.8680 177.5707 103 L 3.5476 8.2449 121.4187 57.8695 41.3389 180.0610 104 S 4.2314 7.9427 112.5142 61.2840 62.9979 175.9886 105 S 4.3503 8.0007 117.7671 60.0474 62.6305 176.0491 106 F 4.3441 8.1560 121.8985 60.6073 38.5500 177.5359 107 S 4.3134 8.2255 113.4633 61.9091 62.8632 176.6154 108 T 3.8596 7.9034 118.9063 66.1977 68.2438 176.7806 109 V 3.6066 7.8181 120.4088 65.8061 31.4732 178.3519 110 G 2.6287 8.1109 105.5295 47.5091 0.0000 175.5816 111 E 3.9390 8.3200 121.1511 59.1568 28.8677 179.6972 112 S 4.0358 7.9734 115.4333 61.2228 62.7579 176.4300 113 L 3.8241 7.8061 123.1065 58.1185 41.7744 179.0698 114 L 3.8368 7.9915 119.1698 57.6504 41.4287 178.7853 115 Y 3.9168 8.0988 119.6337 60.9305 38.7711 177.9069 116 M 3.7358 8.1510 119.0997 58.5572 32.2231 178.1859 117 L 3.5186 7.6290 119.2391 57.3163 41.6280 178.9548 118 E 3.2352 7.3730 119.4759 59.1824 29.3341 179.2221 119 K 3.7732 7.4577 117.1386 59.1818 32.0058 179.2992 120 S 4.1932 7.5972 114.9296 61.0659 63.2968 175.9610 121 L 4.2927 8.1535 121.2104 53.7509 42.0615 178.2283 122 G 3.8688 8.7102 107.5742 45.8518 0.0000 176.0761 123 P 4.2740 0.0000 0.0000 65.1212 31.1233 176.8803 124 D 4.5334 7.9039 117.2253 55.7111 41.2707 176.8508 125 F 4.7333 8.0044 124.6377 56.8725 37.7743 175.1782 126 T 4.1139 7.3864 115.6661 60.4428 71.2298 173.2800 127 P 4.0958 0.0000 0.0000 66.0016 31.1925 178.7905 128 A 3.9698 7.8526 118.7032 55.3178 18.3575 179.6698 129 T 3.7753 7.5961 114.0583 66.5845 68.5292 176.7405 130 R 3.4679 7.5510 120.7486 59.7889 30.0808 178.7068 131 T 3.8934 7.9415 115.1383 66.4503 68.2982 176.5406 132 A 3.9254 8.2269 122.8933 55.0407 18.3576 179.7555 133 W 4.0704 8.3924 117.4553 60.0201 29.0394 178.9454 134 S 4.3453 8.4823 115.2076 61.6883 62.2674 177.0499 135 R 3.9156 8.1261 120.8347 58.9676 29.7506 178.7527 136 L 3.8279 8.1023 120.3470 58.3950 42.0368 178.2514 137 Y 4.1941 8.6141 119.9666 60.8035 38.6280 178.4107 138 G 3.5147 8.5388 106.4948 47.7840 0.0000 175.5617 139 A 3.9068 7.9795 123.1851 54.6087 18.2425 179.9857 140 V 3.4013 7.8267 117.0364 66.2001 31.6146 178.5361 141 V 2.8514 7.3973 118.2097 65.4891 30.9198 177.7320 142 Q 3.7219 7.7503 118.5238 58.9371 28.7752 177.7766 143 A 4.0973 7.8473 121.6579 55.6413 18.4590 179.6137 144 M 4.3448 8.2418 117.6596 58.4443 31.5055 179.0864 145 S 4.4579 8.3880 114.8332 60.1258 62.7142 174.1603 146 R 4.3579 7.5466 121.1668 57.2139 29.3001 176.8557 147 G 4.9796 8.3187 125.6134 46.2939 0.0000 171.4802 148 W 4.3084 7.8362 124.2719 56.8112 29.1988 175.9601 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 3 R 8.10 4.31 0.00 1.83 2.01 0.00 3.03 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 4 P 0.00 4.29 0.00 2.27 2.27 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 5 E 8.75 4.27 0.00 2.09 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 0.00 2.27 2.22 0.00 6 S 7.56 3.96 0.00 4.13 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 7 E 7.83 3.95 0.00 2.16 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 2.31 2.41 0.00 8 L 7.75 4.04 0.00 1.84 1.73 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.86 3.57 1.67 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.54 0.25 0.00 0.00 10 R 8.15 4.06 0.00 1.88 2.04 0.00 3.44 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 11 Q 8.31 4.12 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.02 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 12 S 8.21 4.45 0.00 4.42 4.34 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 13 W 8.79 4.63 0.00 3.94 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 14 R 7.80 3.94 0.00 2.11 2.25 0.00 3.13 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.51 0.00 15 V 7.80 3.58 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 0.84 0.00 0.00 0.96 0.00 0.00 16 V 7.21 2.96 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 0.44 0.00 0.00 -0.19 0.00 0.00 17 S 7.63 3.74 0.00 3.93 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 18 R 7.21 4.20 0.00 1.90 1.98 0.00 3.10 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 1.62 1.79 0.00 19 S 7.70 4.66 0.00 4.05 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 20 P 0.00 4.18 0.00 2.29 2.32 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 21 L 7.78 3.95 0.00 1.75 1.67 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.06 3.90 0.00 2.04 1.84 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 2.35 2.36 0.00 23 H 8.15 4.17 0.00 3.15 3.22 0.00 5.82 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 24 G 8.53 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 25 T 8.23 3.98 4.47 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 1.25 0.00 0.00 26 V 7.57 3.61 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 1.19 0.00 0.00 0.95 0.00 0.00 27 L 7.77 3.85 0.00 1.71 1.71 0.82 0.17 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 F 8.56 3.66 0.00 3.16 3.07 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 29 A 8.41 4.08 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 30 R 8.21 3.56 0.00 1.55 1.89 0.00 2.67 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.33 0.00 31 L 7.71 3.88 0.00 1.50 1.33 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.85 4.61 0.00 3.07 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 33 A 7.75 4.17 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 34 L 7.87 4.29 0.00 1.74 1.70 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.47 4.70 0.00 1.96 1.85 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 2.27 2.28 0.00 36 P 0.00 4.59 0.00 2.27 2.32 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 37 S 8.03 4.34 0.00 4.03 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 38 L 8.18 4.41 0.00 2.28 2.19 1.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.08 3.69 0.00 1.35 1.58 -0.23 0.74 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 40 P 0.00 4.39 0.00 2.02 2.04 0.00 3.81 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 2.01 2.26 0.00 41 L 7.93 4.15 0.00 1.29 1.33 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.62 4.31 0.00 3.33 3.41 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 43 Q 7.56 4.24 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.69 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 44 Y 7.21 4.73 0.00 2.85 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 45 N 9.41 4.06 0.00 2.92 2.93 0.00 0.00 7.05 7.65 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 46 G 8.33 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 47 R 7.49 4.57 0.00 1.68 1.66 0.00 3.35 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 48 Q 8.17 4.38 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 49 F 7.98 4.50 0.00 2.93 2.72 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 50 S 9.00 4.31 0.00 4.01 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 51 S 8.68 4.77 0.00 3.86 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 52 P 0.00 3.92 0.00 2.16 2.21 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 53 E 8.15 3.98 0.00 2.12 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 0.00 2.32 2.33 0.00 54 D 7.99 4.33 0.00 2.83 2.88 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 55 S 7.16 2.79 0.00 2.72 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 56 L 7.21 4.22 0.00 1.80 1.78 0.95 1.01 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 57 S 7.50 4.39 0.00 4.02 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 58 S 7.81 4.63 0.00 4.32 4.18 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 59 P 0.00 4.21 0.00 2.27 2.28 0.00 3.80 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 2.07 0.00 60 E 7.97 3.68 0.00 1.16 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 2.14 2.23 0.00 61 F 8.06 4.11 0.00 3.48 3.33 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 62 L 8.22 3.76 0.00 1.79 1.64 0.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.35 4.31 0.00 2.79 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 64 H 8.03 4.07 0.00 3.24 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.23 3.31 1.79 0.00 0.00 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 0.54 -0.36 0.94 0.00 0.00 66 R 7.85 3.91 0.00 2.00 1.97 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 67 K 8.03 3.98 0.00 1.94 1.92 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.65 7.81 68 V 7.87 3.71 2.40 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 1.30 0.00 0.00 1.00 0.00 0.00 69 M 8.50 4.35 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.98 0.00 70 L 8.29 4.08 0.00 1.87 1.90 0.94 0.71 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 71 V 8.03 3.69 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 1.21 0.00 0.00 1.18 0.00 0.00 72 I 8.16 3.73 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.71 0.54 0.00 0.00 73 D 8.57 4.18 0.00 3.33 3.02 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 74 A 8.28 3.93 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 75 A 7.80 3.85 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 76 V 7.59 3.40 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 0.99 0.00 0.00 0.19 0.00 0.00 77 T 7.84 3.94 4.37 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 1.21 0.00 0.00 78 N 7.79 4.93 0.00 2.85 2.76 0.00 0.00 6.73 7.84 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 79 V 7.43 3.55 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 0.67 0.00 0.00 0.72 0.00 0.00 80 E 8.09 4.03 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 2.27 2.21 0.00 81 D 7.57 4.52 0.00 2.57 2.40 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 0.00 82 L 8.39 4.20 0.00 1.75 2.01 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.17 4.32 0.00 4.29 4.08 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 0.00 0.00 0.00 0.00 84 S 7.43 4.18 0.00 3.95 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 0.00 85 L 7.67 4.65 0.00 1.95 1.74 0.95 0.59 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 86 E 7.90 3.95 0.00 2.23 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 2.40 0.00 87 E 8.16 4.02 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 2.41 2.32 0.00 88 Y 7.99 4.00 0.00 3.16 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 89 L 8.25 3.94 0.00 1.71 1.68 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.05 4.03 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 1.26 0.00 0.00 91 S 8.25 4.06 0.00 3.96 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 92 L 8.03 3.96 0.00 1.26 1.68 1.04 1.22 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 93 G 8.30 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 0.00 0.00 0.00 0.00 94 R 7.98 3.63 0.00 1.80 1.98 0.00 3.03 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 95 K 7.86 3.86 0.00 1.90 1.95 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.44 7.81 96 H 8.02 4.02 0.00 3.45 3.51 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 6.94 3.35 0.00 0.67 1.14 0.00 2.90 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 0.00 98 A 7.28 3.90 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 99 V 7.13 3.96 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 0.74 0.00 0.00 0.90 0.00 0.00 100 G 7.98 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 0.00 101 V 7.45 4.03 2.27 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 0.74 0.00 0.00 1.18 0.00 0.00 102 R 8.27 4.73 0.00 1.88 1.86 0.00 3.16 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 103 L 8.24 3.55 0.00 1.40 1.50 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.94 4.23 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 4.35 0.00 3.93 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 0.00 106 F 8.16 4.34 0.00 3.21 3.08 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 0.00 0.00 0.00 0.00 107 S 8.23 4.31 0.00 4.10 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 0.00 108 T 7.90 3.86 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 1.22 0.00 0.00 109 V 7.82 3.61 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 1.11 0.00 0.00 1.03 0.00 0.00 110 G 8.11 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 0.00 0.00 0.00 111 E 8.32 3.94 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 112 S 7.97 4.04 0.00 3.82 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 0.00 113 L 7.81 3.82 0.00 1.58 1.56 0.75 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.99 3.84 0.00 1.86 1.78 0.99 1.28 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 0.00 115 Y 8.10 3.92 0.00 3.04 3.05 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 0.00 116 M 8.15 3.74 0.00 2.07 2.01 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 2.78 2.63 0.00 117 L 7.63 3.52 0.00 0.89 0.81 -0.46 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.37 3.24 0.00 1.78 1.75 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 2.17 2.40 0.00 119 K 7.46 3.77 0.00 1.27 1.55 0.00 1.46 0.00 0.00 1.35 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.49 0.68 7.81 120 S 7.60 4.19 0.00 3.67 3.82 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 0.00 121 L 8.15 4.29 0.00 1.78 1.80 1.10 1.25 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 0.00 122 G 8.71 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 0.00 0.00 0.00 123 P 0.00 4.27 0.00 2.21 2.22 0.00 3.88 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 2.00 1.99 0.00 124 D 7.90 4.53 0.00 2.94 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 0.00 125 F 8.00 4.73 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 0.00 126 T 7.39 4.11 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 1.27 0.00 0.00 127 P 0.00 4.10 0.00 2.14 2.13 0.00 3.56 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 2.15 0.00 128 A 7.85 3.97 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 0.00 129 T 7.60 3.78 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 130 R 7.55 3.47 0.00 1.33 1.89 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 131 T 7.94 3.89 4.34 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 1.20 0.00 0.00 132 A 8.23 3.93 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 0.00 133 W 8.39 4.07 0.00 3.70 3.40 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 0.00 134 S 8.48 4.35 0.00 4.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.92 0.00 2.02 1.94 0.00 3.11 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 136 L 8.10 3.83 0.00 1.47 1.65 0.77 0.48 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 0.00 137 Y 8.61 4.19 0.00 3.31 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 0.00 138 G 8.54 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 0.00 0.00 0.00 139 A 7.98 3.91 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 0.00 140 V 7.83 3.40 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 1.02 0.00 0.00 0.94 0.00 0.00 141 V 7.40 2.85 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 142 Q 7.75 3.72 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 143 A 7.85 4.10 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 0.00 144 M 8.24 4.34 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.73 0.00 145 S 8.39 4.46 0.00 3.83 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 0.00 146 R 7.55 4.36 0.00 1.88 1.99 0.00 3.30 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 147 G 8.32 4.98 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 0.00 0.00 0.00 148 W 7.84 4.31 0.00 3.42 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