NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4502 8.3149 122.0582 56.4690 33.6699 175.6971 4 C 5.0456 8.4457 123.6769 53.8550 41.6933 171.6060 5 S 4.8956 9.3482 120.2484 56.2890 64.1380 174.0196 6 L 4.0668 8.4229 125.6327 56.7197 41.7487 177.7159 7 T 3.8312 7.0407 114.9008 64.4894 68.9924 172.5364 8 G 3.5890 8.1007 111.2010 43.8163 0.0000 172.0037 9 K 5.1041 8.1408 117.7099 54.5479 34.6668 175.9677 10 W 5.6872 9.2902 123.0487 55.2428 33.9085 174.2435 11 T 5.3148 9.2395 112.7231 60.1276 71.7258 172.7131 12 N 5.9866 8.6077 120.1307 49.8500 40.3081 174.8734 13 N 4.3565 8.7405 115.1240 55.2851 37.3577 175.6300 14 L 4.2376 8.0699 117.5264 54.8163 42.0640 177.4894 15 G 3.9711 8.2362 107.9161 44.8356 0.0000 174.1774 16 S 4.5207 7.9097 115.6203 58.5879 64.5385 173.0664 17 I 5.2103 8.4621 122.6871 59.7423 40.4551 174.6133 18 M 5.1111 9.1634 122.8037 53.7484 35.1989 174.1980 19 T 4.9912 8.8538 116.6150 61.9498 72.0598 172.8778 20 I 4.6662 8.8010 127.7142 59.7634 39.7996 176.3887 21 R 4.4033 8.5066 126.7880 55.1801 32.4668 175.9863 22 A 3.9846 8.5875 122.4784 53.1379 18.8888 177.4006 23 V 4.2578 7.6621 122.1197 61.5980 32.3649 176.1390 24 N 4.7827 8.8412 125.9414 51.8416 38.6834 175.7568 25 S 4.2282 8.4356 111.6910 60.8109 63.2492 175.2970 26 R 4.0438 8.0927 118.6787 57.0586 30.4062 177.2663 27 G 4.4200 8.3935 106.5253 46.1658 0.0000 172.9961 28 E 4.7745 8.5045 120.0871 56.1726 30.8392 175.8682 29 F 5.2034 8.4893 116.9103 55.8523 41.9525 172.9395 30 T 5.0228 8.4084 114.1219 60.3448 71.5738 172.5637 31 G 4.2773 7.5270 108.7490 45.8728 0.0000 171.9390 32 T 5.2484 7.9423 108.3790 60.1322 72.9578 172.4426 33 Y 4.8533 9.2520 123.5056 55.9364 42.4395 173.6098 34 L 5.0485 9.0244 129.6296 53.4462 43.6392 175.3165 35 T 4.6163 9.0004 120.7701 61.8568 68.0787 174.4300 36 A 4.2911 8.7675 130.5285 53.4823 19.1189 178.1018 37 V 4.3908 7.2471 108.0008 59.6872 34.9247 174.5912 38 A 4.3217 7.9722 123.7870 51.3739 21.7754 176.1122 39 D 4.4554 8.8482 119.4169 57.0810 40.9793 177.1414 40 N 4.8618 7.7345 117.2151 49.9892 39.5897 172.7721 41 P 4.1148 0.0000 0.0000 65.1697 31.5677 179.3705 42 G 3.6291 7.9907 106.6561 47.5712 0.0000 173.6074 43 N 4.6446 7.8297 115.6828 52.8890 39.2527 175.5213 44 I 2.0000 6.7900 120.1566 61.0735 37.5681 175.4926 45 T 4.6929 7.3400 113.2135 59.0635 71.8511 173.2220 46 L 4.2330 8.6598 124.6523 56.2657 42.5739 176.3629 47 S 5.1039 9.1978 121.3100 56.0392 67.2110 171.7296 48 P 5.1443 0.0000 0.0000 62.4862 33.1466 174.8209 49 L 5.3403 8.6743 120.9215 54.2366 44.4275 175.0268 50 L 4.8347 8.7259 121.4460 54.0629 46.0200 175.0497 51 G 4.0603 8.0660 112.1090 45.5301 0.0000 171.2664 52 I 5.2673 8.3969 119.4733 59.4833 41.5217 175.1312 53 Q 5.4337 9.3584 124.3350 54.4692 31.8910 174.9649 54 H 4.6134 8.9842 117.5618 56.0383 29.4929 175.6635 55 K 4.4260 8.5629 121.0989 58.2687 33.4809 178.4030 56 R 4.0610 8.0275 116.1487 58.6776 30.3916 177.3190 57 A 4.2114 7.8070 119.9455 51.8940 18.8382 177.6297 58 S 4.3435 8.7281 116.1721 60.6116 63.8320 173.4156 59 Q 5.1583 7.8381 118.9220 52.0565 28.1298 173.3962 60 P 4.5094 0.0000 0.0000 62.8171 33.5068 177.2299 61 T 4.7554 8.4201 118.3862 63.8472 70.4164 173.0926 62 F 5.3080 8.1730 117.2619 56.6083 41.9289 172.9096 63 G 4.7456 9.4519 105.5576 45.1611 0.0000 171.6730 64 F 5.5291 9.0843 115.2788 55.8122 42.1005 172.9645 65 T 5.0153 9.0528 116.7629 61.8469 71.4856 173.4252 66 V 4.4304 8.7637 126.2080 61.3032 33.7039 173.9969 67 H 4.3032 8.3365 129.1266 54.3282 29.7670 174.5247 68 W 4.2853 7.4823 126.4534 56.8900 29.0014 176.5174 69 N 4.7548 9.3753 121.9646 53.8339 38.3728 175.5277 70 F 4.9937 7.4724 111.7641 56.1650 38.7617 174.0626 71 S 4.4999 7.2135 114.4581 57.9376 65.4802 173.3587 72 E 4.3139 8.5072 117.8935 56.5003 29.3199 176.7166 73 S 4.8459 7.7639 115.3953 58.0591 65.4972 173.2029 74 T 4.9199 8.8674 116.1145 62.2276 72.8146 173.2358 75 T 5.1591 8.4041 121.5337 61.8562 71.9786 173.4841 76 V 4.8695 8.6229 118.3845 59.5937 34.9020 174.6869 77 F 5.3310 8.8437 122.9447 56.0327 42.1384 174.3839 78 T 4.7079 8.8698 116.1868 60.7173 71.3497 173.8987 79 G 4.4008 6.7926 111.6936 45.9979 0.0000 171.4435 80 Q 4.7851 7.5842 119.4606 54.4830 32.9858 175.5806 81 C 5.1109 8.9995 126.2361 55.7827 45.3858 172.0726 82 F 5.3150 9.2533 125.5059 55.8897 41.5575 174.6663 83 I 5.1446 8.9726 123.8186 59.6669 39.1478 175.8164 84 D 4.7857 8.9805 127.7515 51.8065 40.9133 177.3651 85 R 3.9292 8.4864 114.8521 58.7160 29.2779 176.9944 86 N 4.6201 8.4518 114.1851 52.8797 38.8609 175.6761 87 G 3.9400 8.3705 107.0299 45.1293 0.0000 173.8069 88 K 4.1986 8.3635 121.8304 55.9684 32.8155 175.1938 89 E 5.3432 8.6866 124.8839 54.9846 32.0841 174.9617 90 V 4.9692 8.8805 122.8944 61.2810 35.3930 173.9670 91 L 5.0385 9.1961 128.0957 53.6166 43.4437 175.5514 92 K 5.1390 9.0855 124.8068 55.2857 33.8663 175.9181 93 T 5.4178 9.2253 114.9616 60.2626 72.6573 172.7912 94 M 5.4557 9.1028 122.1664 53.4626 35.9388 174.7304 95 W 5.5143 8.4982 117.3342 54.8221 32.4704 173.7013 96 L 5.2895 8.8268 120.4825 52.9689 44.7113 175.2372 97 L 4.9309 9.3748 126.6433 53.4662 44.1400 174.9312 98 R 4.8153 9.1100 128.9281 55.4358 31.1754 175.7353 99 S 4.8954 8.8942 123.3514 57.3672 64.7772 173.8291 100 S 4.4130 8.4345 117.1459 58.0006 62.7528 173.7937 101 V 4.4381 8.1568 119.3614 59.2766 34.5856 175.5923 102 N 4.4439 8.3974 118.9155 56.2263 38.8406 174.7030 103 D 4.5974 7.6828 115.4707 51.1932 42.0000 175.9916 104 I 3.8139 8.2708 118.6125 63.8501 37.5572 177.4848 105 S 4.2620 8.4069 114.2752 60.6289 63.0012 174.9206 106 Y 4.5920 7.9615 119.1630 57.9259 38.1787 176.6435 107 D 4.3772 8.1691 121.5210 57.0394 41.0502 178.0096 108 W 4.3386 8.4459 115.6960 58.7305 28.0194 176.5919 109 K 3.7539 6.7033 115.5110 56.1036 32.0268 176.7045 110 A 4.1904 7.6458 122.3155 53.1722 19.2694 177.2027 111 T 5.0466 7.5673 111.7533 61.5937 70.9590 173.7569 112 L 4.6569 8.9295 127.6020 53.8890 43.5505 176.5512 113 V 4.4236 7.8121 120.5186 60.3163 34.5032 175.0437 114 G 3.2174 6.2502 107.8326 45.6404 0.0000 171.1465 115 Y 5.5123 8.0434 116.8364 55.5975 41.5693 174.6459 116 N 5.2763 9.5178 115.6018 52.3905 43.9876 173.2993 117 N 5.7862 9.5655 120.2612 51.6966 41.4350 173.7259 118 F 5.6879 9.7188 122.4667 56.0084 42.4893 174.5152 119 T 5.5030 9.1032 111.6678 59.7671 72.6414 173.2928 120 R 3.7579 8.4625 120.9455 56.0599 30.9631 177.0197 121 L 4.1494 8.1013 126.2508 56.4174 41.6420 176.5676 122 S 4.5425 8.5239 118.9403 58.2360 62.8793 170.4214 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 K 8.31 4.45 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 4 C 8.45 5.05 0.00 3.10 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 5 S 9.35 4.90 0.00 3.84 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 6 L 8.42 4.07 0.00 0.87 0.86 0.39 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.04 3.83 4.20 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 1.20 0.00 0.00 8 G 8.10 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 5.10 0.00 1.56 1.63 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.36 7.81 10 W 9.29 5.69 0.00 3.19 3.21 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 11 T 9.24 5.31 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 1.24 0.00 0.00 12 N 8.61 5.99 0.00 2.33 1.42 0.00 0.00 6.64 6.84 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 13 N 8.74 4.36 0.00 2.91 3.07 0.00 0.00 5.93 7.79 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 14 L 8.07 4.24 0.00 1.78 1.74 0.94 0.72 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 15 G 8.24 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.91 4.52 0.00 3.90 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 17 I 8.46 5.21 1.83 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 1.28 0.69 0.89 0.00 0.00 18 M 9.16 5.11 0.00 1.61 2.05 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 19 T 8.85 4.99 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 1.18 0.00 0.00 20 I 8.80 4.67 1.93 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.60 0.52 0.00 0.00 21 R 8.51 4.40 0.00 1.71 1.91 0.00 3.17 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 22 A 8.59 3.98 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 23 V 7.66 4.26 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 0.85 0.00 0.00 24 N 8.84 4.78 0.00 2.99 2.99 0.00 0.00 6.31 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 25 S 8.44 4.23 0.00 4.01 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 26 R 8.09 4.04 0.00 2.01 2.01 0.00 3.36 0.00 0.00 3.23 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 27 G 8.39 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 0.00 0.00 0.00 28 E 8.50 4.77 0.00 2.04 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 2.26 2.23 0.00 29 F 8.49 5.20 0.00 3.00 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 30 T 8.41 5.02 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 1.22 0.00 0.00 31 G 7.53 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 0.00 0.00 0.00 0.00 32 T 7.94 5.25 4.30 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 1.23 0.00 0.00 33 Y 9.25 4.85 0.00 2.95 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 34 L 9.02 5.05 0.00 1.78 1.53 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 T 9.00 4.62 4.76 0.00 0.00 0.00 0.00 0.00 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 36 A 8.77 4.29 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 37 V 7.25 4.39 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 0.70 0.00 0.00 0.86 0.00 0.00 38 A 7.97 4.32 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 39 D 8.85 4.46 0.00 2.65 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 40 N 7.73 4.86 0.00 2.68 2.68 0.00 0.00 6.87 8.03 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 41 P 0.00 4.11 0.00 2.14 2.24 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 42 G 7.99 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 0.00 0.00 0.00 43 N 7.83 4.64 0.00 2.79 2.87 0.00 0.00 6.99 6.97 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 44 I 6.79 2.00 1.66 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.02 0.78 0.00 0.00 45 T 7.34 4.69 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 1.27 0.00 0.00 46 L 8.66 4.23 0.00 1.73 1.72 0.99 0.89 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 47 S 9.20 5.10 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 5.14 0.00 2.08 2.15 0.00 3.95 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 49 L 8.67 5.34 0.00 1.93 1.75 0.84 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.73 4.83 0.00 1.68 1.41 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.07 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 52 I 8.40 5.27 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.90 0.00 0.00 53 Q 9.36 5.43 0.00 2.23 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.97 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 54 H 8.98 4.61 0.00 3.20 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.56 4.43 0.00 1.76 1.87 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.53 7.81 56 R 8.03 4.06 0.00 1.83 2.01 0.00 3.23 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 57 A 7.81 4.21 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 58 S 8.73 4.34 0.00 4.05 4.16 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 0.00 0.00 0.00 0.00 59 Q 7.84 5.16 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 60 P 0.00 4.51 0.00 2.23 2.34 0.00 3.69 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 61 T 8.42 4.76 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 1.19 0.00 0.00 62 F 8.17 5.31 0.00 3.50 3.24 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 63 G 9.45 4.75 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 0.00 0.00 0.00 64 F 9.08 5.53 0.00 3.19 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 65 T 9.05 5.02 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 1.16 0.00 0.00 66 V 8.76 4.43 1.18 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 -0.52 0.00 0.00 0.78 0.00 0.00 67 H 8.34 4.30 0.00 3.11 3.11 0.00 6.01 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 7.48 4.29 0.00 2.89 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 0.00 0.00 0.00 69 N 9.38 4.75 0.00 2.92 3.01 0.00 0.00 6.84 7.35 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 70 F 7.47 4.99 0.00 3.17 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 71 S 7.21 4.50 0.00 3.82 3.61 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 72 E 8.51 4.31 0.00 1.93 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 2.24 2.20 0.00 73 S 7.76 4.85 0.00 4.04 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 74 T 8.87 4.92 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 1.14 0.00 0.00 75 T 8.40 5.16 4.30 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 0.73 0.00 0.00 76 V 8.62 4.87 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 0.76 0.00 0.00 0.90 0.00 0.00 77 F 8.84 5.33 0.00 1.56 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 78 T 8.87 4.71 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 1.15 0.00 0.00 79 G 6.79 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.58 4.79 0.00 1.83 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 1.40 2.16 0.00 81 C 9.00 5.11 0.00 3.03 2.94 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 82 F 9.25 5.31 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 83 I 8.97 5.14 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.97 0.00 0.00 84 D 8.98 4.79 0.00 2.93 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 85 R 8.49 3.93 0.00 1.96 2.13 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 86 N 8.45 4.62 0.00 2.85 2.89 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 87 G 8.37 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 88 K 8.36 4.20 0.00 1.86 2.08 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.46 7.81 89 E 8.69 5.34 0.00 2.14 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 2.45 2.37 0.00 90 V 8.88 4.97 2.33 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 1.35 0.00 0.00 1.09 0.00 0.00 91 L 9.20 5.04 0.00 1.72 1.69 -0.82 0.50 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 92 K 9.09 5.14 0.00 2.00 1.95 0.00 1.97 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.85 7.81 93 T 9.23 5.42 4.73 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 1.65 0.00 0.00 94 M 9.10 5.46 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 95 W 8.50 5.51 0.00 2.65 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 0.00 0.00 0.00 0.00 96 L 8.83 5.29 0.00 1.60 1.60 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.37 4.93 0.00 1.67 1.81 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 98 R 9.11 4.82 0.00 1.94 1.92 0.00 3.34 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 99 S 8.89 4.90 0.00 3.68 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 0.00 100 S 8.43 4.41 0.00 3.85 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 0.00 101 V 8.16 4.44 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 0.70 0.00 0.00 1.02 0.00 0.00 102 N 8.40 4.44 0.00 2.56 2.85 0.00 0.00 6.76 8.06 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 0.00 103 D 7.68 4.60 0.00 2.92 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 0.00 104 I 8.27 3.81 1.91 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 1.73 1.36 0.94 0.00 0.00 105 S 8.41 4.26 0.00 3.91 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 0.00 106 Y 7.96 4.59 0.00 3.14 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 0.00 107 D 8.17 4.38 0.00 2.94 2.79 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 0.00 108 W 8.45 4.34 0.00 3.63 3.24 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 0.00 109 K 6.70 3.75 0.00 1.00 0.74 0.00 1.00 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.91 0.92 7.81 110 A 7.65 4.19 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 0.00 111 T 7.57 5.05 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 1.22 0.00 0.00 112 L 8.93 4.66 0.00 1.86 1.80 0.99 0.72 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 0.00 113 V 7.81 4.42 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 0.58 0.00 0.00 0.74 0.00 0.00 114 G 6.25 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.04 5.51 0.00 3.07 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 0.00 116 N 9.52 5.28 0.00 3.24 2.57 0.00 0.00 7.24 6.36 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 0.00 117 N 9.57 5.79 0.00 2.78 2.88 0.00 0.00 6.69 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 0.00 118 F 9.72 5.69 0.00 2.75 3.09 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 0.00 119 T 9.10 5.50 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 1.39 0.00 0.00 120 R 8.46 3.76 0.00 1.42 1.46 0.00 2.85 0.00 0.00 2.62 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.78 0.00 121 L 8.10 4.15 0.00 1.56 1.50 0.90 0.84 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 0.00 122 S 8.52 4.54 0.00 3.85 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