NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4694 8.1776 115.2898 57.8765 63.6628 174.4953 3 V 3.3584 8.2863 128.3683 64.5962 31.1945 176.8513 4 Y 3.9499 8.5021 118.2857 61.0080 38.0194 179.0579 5 D 4.4155 7.7929 118.1570 57.1075 41.1959 178.3786 6 A 4.0708 8.1254 121.2442 55.1237 18.4652 179.5804 7 A 3.8747 8.1762 119.0879 55.0252 18.1826 179.4468 8 A 4.1064 7.5935 117.5885 54.4605 18.5352 178.9410 9 Q 4.2824 7.7823 115.0987 56.3057 30.0917 176.9999 10 L 4.2279 7.3395 121.5513 53.6916 40.2270 176.9776 11 T 4.2181 7.6513 114.7154 60.2942 71.6243 175.0668 12 A 3.9569 8.4559 121.9382 55.7201 18.2093 179.5000 13 D 4.2972 7.9970 116.6507 57.3899 40.9107 179.1118 14 V 3.4842 7.3998 117.3491 65.8879 31.5229 178.1735 15 K 3.8185 8.3072 118.6842 59.3189 31.7926 179.2135 16 K 3.9490 8.0987 119.7687 59.7177 32.1451 178.6623 17 D 4.6033 8.1118 119.1580 57.2366 40.6414 178.8325 18 L 3.6904 7.9943 119.6419 57.7455 41.6255 179.7614 19 R 4.0468 8.1441 118.0371 59.3999 30.3581 178.8443 20 D 4.4723 8.5942 119.3213 57.5202 40.8973 179.0914 21 S 3.0481 8.2557 114.7526 60.7081 63.0851 176.3027 22 W 4.3520 8.6596 132.0819 60.0532 30.2016 177.7193 23 K 3.8721 7.9188 119.0751 59.0169 31.6280 178.4598 24 V 3.8003 6.9819 116.9175 65.4452 32.0067 178.1414 25 I 3.5934 7.4057 112.9051 63.5801 37.1988 177.8776 26 G 2.2027 6.9563 106.1694 45.5745 0.0000 175.3709 27 S 4.2478 7.1342 115.8893 59.6530 64.1159 173.9791 28 D 4.6447 7.1735 120.8218 51.1653 41.1672 175.5307 29 K 3.8892 7.9830 123.2351 58.5271 32.4092 178.4073 30 K 4.0035 7.9349 119.5634 59.3922 32.4400 179.0029 31 G 3.5689 8.1582 107.1888 47.5631 0.0000 175.4652 32 N 4.4871 8.3582 119.6055 55.1096 38.5152 178.0725 33 G 3.4658 8.0319 107.6539 47.7860 0.0000 176.1015 34 V 3.5541 7.7439 120.9347 65.3803 31.4866 177.9585 35 A 3.8820 7.8225 120.4001 54.8342 18.2649 179.3031 36 L 3.6754 7.8142 118.7514 58.2884 42.2701 179.3854 37 V 3.0889 7.5922 118.2624 66.0617 31.4453 178.1562 38 T 3.8175 7.8789 109.5132 64.8829 68.4481 176.7104 39 T 3.8440 7.7011 118.8649 66.1086 68.4221 176.4265 40 L 3.8451 7.4231 122.2405 58.2188 41.9571 179.1647 41 F 4.5527 7.6274 117.3837 60.4172 38.5782 177.6583 42 A 4.1107 8.0129 119.6123 55.4309 18.3853 179.2009 43 D 4.5775 8.2621 115.7385 55.8391 42.5161 176.8189 44 N 5.1744 8.2297 116.2798 50.9189 39.4934 174.7617 45 Q 4.2032 8.4933 119.6453 58.1394 29.4557 179.3212 46 E 4.2384 8.2384 113.5677 57.8598 29.9768 177.7999 47 T 4.6080 8.2807 110.7904 63.0470 69.5467 176.5311 48 I 3.6699 7.7923 123.1828 64.5234 36.8141 178.1205 49 G 3.6137 8.0410 105.1628 48.0343 0.0000 174.8110 50 Y 4.3390 7.8023 117.6627 59.7677 38.1617 176.1974 51 F 4.8621 8.1775 119.0003 56.7719 39.8409 177.9364 52 K 3.8750 8.3024 124.4448 59.5918 32.1431 178.4944 53 R 3.9874 7.9714 117.7041 59.0050 30.1194 176.9648 54 L 4.2631 7.9164 115.9860 54.9355 42.7671 179.0612 55 G 3.7804 7.5867 106.6923 46.7539 0.0000 176.6591 56 D 4.5171 8.3943 122.2545 53.4480 40.8174 176.8345 57 V 3.8498 8.0151 120.5964 63.0920 31.5826 177.7638 58 S 4.3313 7.8696 113.0191 60.5933 63.3031 175.7324 59 Q 4.1632 8.1474 121.4167 55.8408 28.8648 177.3564 60 G 3.8022 8.5847 109.6942 46.2496 0.0000 176.5259 61 M 3.8970 9.0132 122.3590 58.2647 31.8608 176.8916 62 A 4.0325 7.7219 119.5236 53.6240 18.8840 177.1728 63 N 4.6526 8.2679 115.5570 52.4513 39.4609 175.0100 64 D 4.3770 8.6668 129.0857 57.5445 41.0569 178.9599 65 K 4.0156 8.1166 118.4401 59.3112 32.0547 179.0470 66 L 4.0484 8.5907 120.9489 58.0814 42.0388 178.9988 67 R 4.0029 8.3868 119.0707 59.4026 30.1630 178.7568 68 G 3.6516 8.4086 105.7929 47.9506 0.0000 175.2085 69 H 4.2274 8.4646 120.6096 59.2341 29.9398 177.5913 70 S 4.0625 8.4860 117.3463 61.5898 62.4182 176.7935 71 I 3.7422 7.6844 121.3504 64.8330 37.3253 178.3204 72 T 4.1915 7.9181 116.2687 66.5506 68.2655 176.4051 73 L 3.8791 8.0849 122.3850 58.4517 42.0924 179.0286 74 M 4.1911 7.8465 118.0711 58.3454 31.8422 178.0520 75 Y 4.0568 7.8920 115.8632 60.0209 38.0906 177.8003 76 A 3.5901 7.6232 122.3623 54.7874 18.3386 179.6413 77 L 3.5335 7.3549 117.0202 57.5752 41.6587 179.2064 78 Q 3.4843 7.8439 119.5543 58.9343 28.7457 177.8353 79 N 4.2639 7.6944 116.7815 56.8370 39.4099 176.3420 80 F 4.6313 7.6071 118.8881 60.8663 39.1042 177.7209 81 I 3.5408 7.5933 119.1970 64.5341 36.6508 178.2877 82 D 4.4916 8.1063 118.1370 56.5260 41.0393 177.7153 83 Q 4.4347 7.7442 116.9750 55.8624 28.8704 177.2254 84 L 3.9800 7.5564 120.7529 57.9553 41.6546 178.2537 85 D 4.3338 8.0905 117.6292 56.1286 41.2244 175.8512 86 N 4.8158 7.9565 117.3322 50.8108 40.4186 172.6726 87 P 4.2391 0.0000 0.0000 65.9167 31.4923 178.2862 88 D 4.4487 8.2202 117.0122 57.4445 40.8747 178.3551 89 D 4.4378 8.3348 119.1481 56.8265 40.8827 178.5438 90 L 3.9755 8.0588 121.0681 58.1090 42.0548 179.1919 91 V 3.4099 8.0303 118.7574 66.0929 31.2473 177.8202 92 C 4.1570 7.9647 113.7456 61.2050 29.5378 176.2030 93 V 3.7142 7.7861 114.6124 63.9040 31.1791 178.6427 94 V 3.8132 8.0464 118.2770 66.1637 31.3981 178.0378 95 E 3.9301 8.4060 118.3649 58.8629 28.7136 179.3239 96 K 3.8152 7.6300 119.9419 59.6252 31.8881 178.9990 97 F 4.7215 8.3812 118.7341 59.5384 38.7314 177.7056 98 A 3.9849 8.2490 121.1340 55.1313 18.1641 179.7299 99 V 3.5419 7.7859 116.6950 66.2848 31.8725 177.9583 100 N 4.3764 7.9261 115.0113 56.3177 38.3217 176.6123 101 H 4.2371 7.9293 116.4779 57.7727 29.2791 177.6929 102 I 3.7559 8.1515 122.6074 64.4586 36.7036 178.4384 103 T 3.9531 7.8543 108.8515 63.9578 68.7681 175.1959 104 R 4.2798 7.1042 118.3238 55.4143 30.3336 176.1564 105 K 3.8434 7.7849 116.3781 57.5492 29.7302 175.6826 106 I 4.0318 7.6839 120.1826 60.0278 38.0717 177.1194 107 S 4.5650 8.3669 120.6633 57.1566 65.8438 174.8808 108 A 3.9915 8.4343 122.8787 55.1858 17.7924 179.6964 109 A 3.9842 7.8921 117.9811 55.5148 18.9277 179.3225 110 E 4.1501 8.1550 116.9113 59.3085 29.6178 179.2798 111 F 4.1558 8.6354 121.1973 61.0507 39.4762 177.0751 112 G 3.8977 8.3178 104.4838 46.5424 0.0000 174.9974 113 K 4.2526 8.0094 120.4727 58.0321 32.0836 178.2350 114 I 3.7863 7.5775 119.1987 62.9588 37.8426 177.1583 115 N 4.4672 8.1759 117.9781 56.2937 38.3226 177.2612 116 G 3.6049 7.5691 107.4852 47.5246 0.0000 173.9165 117 P 4.2266 0.0000 0.0000 65.0394 31.2479 178.8111 118 I 3.5031 7.7778 118.5836 64.1518 36.9212 178.3123 119 K 3.9208 8.2063 120.5727 59.4617 31.9843 179.0276 120 K 3.9432 8.0641 118.7146 59.4584 31.7827 179.5751 121 V 3.5307 7.7391 117.5773 65.8353 31.6789 177.7621 122 L 4.0950 8.1607 118.8155 57.8409 41.5083 179.3294 123 A 4.2795 8.5778 122.4620 54.5489 18.0633 179.6272 124 S 4.2798 8.0236 111.4947 60.2579 63.0869 175.7792 125 K 4.4598 7.6812 120.9663 55.4591 32.5701 175.1885 126 N 4.0808 8.0148 115.7945 54.8063 37.7422 173.9243 127 F 4.5351 8.0986 115.4474 55.1126 40.9734 175.8712 128 G 4.1909 8.6272 114.9131 44.1007 0.0000 172.1262 129 D 4.4954 8.9219 118.6789 57.6016 40.6115 178.6033 130 K 3.7700 8.1923 119.3551 60.0564 32.0435 178.2207 131 Y 4.1442 8.0443 115.9444 60.8691 37.9860 177.7070 132 A 4.2183 8.2281 121.8247 55.4446 18.3693 179.4983 133 N 4.3914 8.8759 115.1964 56.1745 38.2497 177.6013 134 A 3.9322 7.7916 122.5024 55.0738 18.4813 179.8198 135 W 3.8880 8.5756 117.2149 59.6300 29.0669 178.6690 136 A 4.1159 8.2111 121.0370 55.0330 17.5437 179.8308 137 K 3.9691 7.6174 116.3596 59.1954 32.3362 179.1233 138 L 3.9360 7.4852 120.6424 58.0689 42.0607 179.1093 139 V 3.7547 8.1413 118.1009 65.9889 31.4224 177.8111 140 A 4.5224 8.0826 121.8254 54.3768 17.8746 179.8245 141 V 3.4034 7.3240 116.5512 66.0180 31.8596 178.1379 142 V 3.4730 7.4484 117.5567 65.9336 31.3515 177.7581 143 Q 3.8228 8.0610 117.5885 58.9320 28.3367 178.7810 144 A 4.0310 7.8195 120.2667 54.1152 18.4465 178.4051 145 A 4.3278 7.5310 117.1664 52.1374 19.4407 177.1225 146 L 4.1344 7.5084 122.9597 54.7123 41.8665 176.4707 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 2 S 8.18 4.47 0.00 3.92 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 3 V 8.29 3.36 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 0.14 0.00 0.00 0.70 0.00 0.00 4 Y 8.50 3.95 0.00 3.04 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 5 D 7.79 4.42 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 6 A 8.13 4.07 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 7 A 8.18 3.87 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 8 A 7.59 4.11 1.40 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 9 Q 7.78 4.28 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.23 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 10 L 7.34 4.23 0.00 1.69 1.53 0.78 0.73 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 11 T 7.65 4.22 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 1.18 0.00 0.00 12 A 8.46 3.96 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 13 D 8.00 4.30 0.00 2.66 2.69 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 14 V 7.40 3.48 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 0.91 0.00 0.00 0.87 0.00 0.00 15 K 8.31 3.82 0.00 1.98 1.80 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.66 7.81 16 K 8.10 3.95 0.00 2.00 1.96 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.76 7.81 17 D 8.11 4.60 0.00 2.83 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 18 L 7.99 3.69 0.00 1.64 1.23 0.57 -0.56 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 19 R 8.14 4.05 0.00 2.04 2.05 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 20 D 8.59 4.47 0.00 2.97 2.91 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 21 S 8.26 3.05 0.00 3.47 3.52 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 0.00 0.00 0.00 0.00 22 W 8.66 4.35 0.00 3.79 3.39 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 23 K 7.92 3.87 0.00 1.86 2.02 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 24 V 6.98 3.80 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 1.06 0.00 0.00 1.09 0.00 0.00 25 I 7.41 3.59 1.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.10 0.68 0.00 0.00 26 G 6.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.13 4.25 0.00 3.86 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 28 D 7.17 4.64 0.00 2.69 2.39 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 29 K 7.98 3.89 0.00 1.72 1.67 0.00 1.15 0.00 0.00 0.73 0.00 0.00 2.30 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.37 7.81 30 K 7.93 4.00 0.00 1.82 1.77 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 31 G 8.16 3.57 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 0.00 0.00 0.00 32 N 8.36 4.49 0.00 2.70 2.71 0.00 0.00 6.99 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 33 G 8.03 3.47 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 0.00 0.00 0.00 34 V 7.74 3.55 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 1.05 0.00 0.00 0.94 0.00 0.00 35 A 7.82 3.88 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 36 L 7.81 3.68 0.00 1.83 1.63 0.78 0.52 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 37 V 7.59 3.09 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 0.28 0.00 0.00 0.84 0.00 0.00 38 T 7.88 3.82 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 1.27 0.00 0.00 39 T 7.70 3.84 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 1.15 0.00 0.00 40 L 7.42 3.85 0.00 1.54 1.37 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.63 4.55 0.00 3.20 2.90 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 42 A 8.01 4.11 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 43 D 8.26 4.58 0.00 2.74 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 44 N 8.23 5.17 0.00 3.01 2.86 0.00 0.00 6.80 7.44 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 45 Q 8.49 4.20 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 46 E 8.24 4.24 0.00 2.09 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 0.00 2.36 2.30 0.00 47 T 8.28 4.61 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 1.46 0.00 0.00 48 I 7.79 3.67 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.89 0.66 0.00 0.00 49 G 8.04 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 0.00 0.00 0.00 50 Y 7.80 4.34 0.00 2.84 2.56 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 51 F 8.18 4.86 0.00 3.08 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 52 K 8.30 3.87 0.00 1.74 1.83 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.39 7.81 53 R 7.97 3.99 0.00 1.84 2.00 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 7.92 4.26 0.00 1.77 1.76 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.59 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 0.00 0.00 0.00 56 D 8.39 4.52 0.00 2.79 2.59 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 57 V 8.02 3.85 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 0.57 0.00 0.00 0.50 0.00 0.00 58 S 7.87 4.33 0.00 4.02 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 59 Q 8.15 4.16 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.81 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 60 G 8.58 3.80 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 0.00 0.00 0.00 61 M 9.01 3.90 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 62 A 7.72 4.03 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 63 N 8.27 4.65 0.00 2.79 2.90 0.00 0.00 7.03 8.00 0.00 0.00 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 D 8.67 4.38 0.00 2.74 2.73 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 65 K 8.12 4.02 0.00 1.99 1.91 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.52 7.81 66 L 8.59 4.05 0.00 1.81 1.88 1.05 1.24 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 67 R 8.39 4.00 0.00 2.04 2.06 0.00 3.16 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.41 3.65 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 0.00 0.00 0.00 69 H 8.46 4.23 0.00 3.42 3.64 0.00 5.79 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 70 S 8.49 4.06 0.00 4.00 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 71 I 7.68 3.74 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 1.15 0.00 0.00 72 T 7.92 4.19 4.43 0.00 0.00 0.00 0.00 0.00 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 73 L 8.08 3.88 0.00 1.66 1.77 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.85 4.19 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.85 0.00 75 Y 7.89 4.06 0.00 3.25 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 76 A 7.62 3.59 0.39 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 77 L 7.35 3.53 0.00 1.57 1.28 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.84 3.48 0.00 2.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 79 N 7.69 4.26 0.00 2.94 2.85 0.00 0.00 7.29 6.61 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 80 F 7.61 4.63 0.00 3.07 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 81 I 7.59 3.54 1.58 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.14 0.82 0.00 0.00 82 D 8.11 4.49 0.00 2.81 2.76 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 0.00 83 Q 7.74 4.43 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 84 L 7.56 3.98 0.00 1.59 1.69 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.09 4.33 0.00 2.67 2.73 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 86 N 7.96 4.82 0.00 2.76 2.68 0.00 0.00 7.13 7.05 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 87 P 0.00 4.24 0.00 2.23 2.11 0.00 3.66 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 2.18 0.00 88 D 8.22 4.45 0.00 2.87 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 89 D 8.33 4.44 0.00 2.89 2.73 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 90 L 8.06 3.98 0.00 1.91 1.77 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.03 3.41 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 0.62 0.00 0.00 0.59 0.00 0.00 92 C 7.96 4.16 0.00 3.18 3.19 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 0.00 93 V 7.79 3.71 2.36 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 1.06 0.00 0.00 1.26 0.00 0.00 94 V 8.05 3.81 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 0.91 0.00 0.00 0.47 0.00 0.00 95 E 8.41 3.93 0.00 2.01 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 2.23 2.44 0.00 96 K 7.63 3.82 0.00 1.75 1.68 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.66 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 1.37 7.81 97 F 8.38 4.72 0.00 3.41 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 98 A 8.25 3.98 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 99 V 7.79 3.54 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 1.01 0.00 0.00 0.97 0.00 0.00 100 N 7.93 4.38 0.00 3.21 2.89 0.00 0.00 6.96 8.04 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 0.00 101 H 7.93 4.24 0.00 3.39 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.15 3.76 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 0.91 0.00 0.00 103 T 7.85 3.95 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 1.24 0.00 0.00 104 R 7.10 4.28 0.00 1.89 1.85 0.00 3.30 0.00 0.00 3.46 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 105 K 7.78 3.84 0.00 2.02 2.01 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.59 7.81 106 I 7.68 4.03 1.98 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.96 0.00 0.00 107 S 8.37 4.57 0.00 4.07 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 0.00 108 A 8.43 3.99 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 0.00 109 A 7.89 3.98 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 0.00 110 E 8.15 4.15 0.00 2.05 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 0.00 2.43 2.41 0.00 111 F 8.64 4.16 0.00 3.27 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 0.00 112 G 8.32 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 0.00 113 K 8.01 4.25 0.00 1.98 1.89 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.72 7.81 114 I 7.58 3.79 1.53 0.00 0.00 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 1.32 1.08 0.72 0.00 0.00 115 N 8.18 4.47 0.00 2.95 2.89 0.00 0.00 6.70 7.67 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 0.00 116 G 7.57 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.15 2.12 0.00 3.66 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 2.01 2.11 0.00 118 I 7.78 3.50 1.95 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 1.17 0.74 0.63 0.00 0.00 119 K 8.21 3.92 0.00 1.91 1.98 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.54 7.81 120 K 8.06 3.94 0.00 1.96 1.80 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.63 7.81 121 V 7.74 3.53 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 0.69 0.00 0.00 0.86 0.00 0.00 122 L 8.16 4.10 0.00 1.95 1.97 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.58 4.28 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 0.00 124 S 8.02 4.28 0.00 4.04 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 0.00 125 K 7.68 4.46 0.00 2.08 1.97 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.54 7.81 126 N 8.01 4.08 0.00 2.72 2.57 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 0.00 127 F 8.10 4.54 0.00 3.26 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 0.00 128 G 8.63 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 0.00 0.00 0.00 0.00 129 D 8.92 4.50 0.00 2.82 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 0.00 130 K 8.19 3.77 0.00 1.73 1.67 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.92 1.33 7.81 131 Y 8.04 4.14 0.00 3.46 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 0.00 132 A 8.23 4.22 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 0.00 133 N 8.88 4.39 0.00 2.89 2.89 0.00 0.00 6.91 7.20 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 0.00 134 A 7.79 3.93 1.26 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 0.00 0.00 0.00 135 W 8.58 3.89 0.00 3.62 3.36 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 0.00 136 A 8.21 4.12 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 0.00 137 K 7.62 3.97 0.00 1.81 1.82 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.60 7.81 138 L 7.49 3.94 0.00 1.47 1.73 0.63 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.14 3.75 2.34 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 1.20 0.00 0.00 1.16 0.00 0.00 140 A 8.08 4.52 1.40 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 0.00 141 V 7.32 3.40 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 0.60 0.00 0.00 0.82 0.00 0.00 142 V 7.45 3.47 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 0.22 0.00 0.00 0.76 0.00 0.00 143 Q 8.06 3.82 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 144 A 7.82 4.03 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 0.00 145 A 7.53 4.33 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 0.00 146 L 7.51 4.13 0.00 1.69 1.51 0.53 0.72 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