NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4548 8.2893 120.3240 54.9242 32.9833 178.3156 1 K 3.9567 9.1450 121.3794 55.9351 33.7938 174.8071 2 P 4.3023 0.0000 0.0000 63.1682 32.3859 176.5684 3 K 4.1362 8.6037 112.8737 57.7679 34.4175 176.3759 4 G 4.0448 9.4482 110.8717 46.2350 0.0000 173.6666 5 M 4.7986 7.4553 117.5768 52.2626 33.0039 175.0770 6 T 3.9983 7.8047 118.8101 63.3213 71.2316 173.9820 7 S 4.1765 8.7229 115.8156 62.4228 62.0272 176.8658 8 S 4.5202 7.7695 117.0226 60.8632 62.7375 176.5355 9 Q 3.9149 7.7521 120.4315 58.7355 28.5151 178.2072 10 W 4.4074 8.7090 129.6609 60.5632 30.7443 177.3947 11 F 2.8822 8.0608 116.3876 58.1605 38.4660 177.3416 12 K 3.8201 7.7392 119.2984 58.6503 32.4985 178.6034 13 I 4.0138 7.4501 112.7826 62.3567 38.0963 176.7545 14 Q 4.1742 6.7084 117.5882 56.6064 29.2014 176.4878 15 H 3.5155 7.7456 116.5094 55.7394 31.0959 171.9965 16 M 4.8892 8.2597 118.1412 54.1314 32.2489 175.6645 17 Q 4.4938 9.1603 123.8340 55.4020 30.4211 175.1504 18 P 3.8856 0.0000 0.0000 64.2263 31.8317 176.2696 19 S 6.0216 6.7039 129.0789 58.7766 65.0692 174.7894 20 P 4.3439 0.0000 0.0000 63.7970 31.7166 177.2477 21 Q 3.8485 7.8252 117.1346 56.1239 24.7993 169.8870 22 A 4.1856 7.8095 126.3752 52.2238 19.3843 180.1084 23 C 3.7565 8.5751 119.6072 59.7408 39.9058 175.9192 24 N 4.5068 8.1057 117.6132 57.0948 38.9031 176.2740 25 S 4.2591 7.5661 114.0412 60.9497 62.4148 175.7497 26 A 3.9491 8.4782 124.0061 55.3672 18.0416 179.1781 27 M 3.8920 8.5267 116.9096 58.0919 31.7817 178.5542 28 K 4.0500 7.7789 118.7902 59.3094 32.0000 178.5071 29 N 4.4711 7.9161 116.4577 55.9571 38.7802 176.7386 30 I 4.1726 7.6357 121.0285 63.7655 37.6708 177.4234 31 N 5.0604 8.7651 119.3033 54.7517 36.9784 177.2155 32 K 4.1668 7.6646 120.3638 59.5710 33.2654 178.0947 33 H 4.4548 7.7950 115.3729 56.6402 29.0182 176.3177 34 T 4.4044 7.8686 109.5381 59.9932 69.7512 173.9938 35 K 4.1425 7.6294 119.0581 55.6684 30.6957 174.6815 36 R 3.0085 6.8955 113.9998 55.6250 33.4638 173.2747 37 C 4.8308 8.5359 121.5763 55.5605 35.8959 174.9001 38 K 3.8512 8.4305 125.6979 57.9739 32.2805 178.1903 39 D 5.0772 10.1759 119.6004 54.1531 40.4750 173.7655 40 L 5.1129 7.7848 118.7974 53.8380 45.7709 175.3065 41 N 5.0085 9.1341 122.1227 52.3782 43.1836 173.6690 42 T 4.9564 8.3076 113.5600 60.2357 72.0556 173.3204 43 F 4.5708 9.3960 120.7769 55.8419 43.9393 173.6094 44 L 5.0449 8.8641 119.6857 53.0719 45.1044 175.8076 45 H 4.7754 8.2697 121.9576 54.0644 27.9631 173.1246 46 E 4.6378 7.8686 118.9857 53.6593 33.1669 172.7071 47 P 3.6649 0.0000 0.0000 62.8870 31.8970 177.1772 48 F 3.9162 6.8598 121.6736 60.9127 38.5909 178.0154 49 S 4.5112 8.0327 114.4082 61.0842 62.7914 176.0790 50 S 4.2407 9.1011 116.8885 60.9828 62.3501 176.3420 51 V 3.8619 7.9827 121.5789 65.1626 31.0580 177.5865 52 A 3.9894 8.1348 120.0667 55.3468 18.5933 179.2489 53 A 4.1456 7.9291 119.1861 55.5583 18.3830 179.9036 54 T 3.9039 8.5802 114.7358 66.7771 68.1937 175.2358 55 C 4.6959 8.2776 117.9099 57.1411 43.6375 173.5836 56 Q 4.1016 7.8833 120.8642 56.1876 29.8508 175.8756 57 T 4.0078 7.5150 111.7814 61.0246 67.9389 171.3761 58 P 4.1117 0.0000 0.0000 62.6458 32.1046 176.6275 59 K 4.9512 8.2958 121.2548 55.3905 35.3499 175.3691 60 I 4.4517 7.8124 109.1108 59.7248 40.0873 172.7621 61 A 4.3789 8.4858 126.6633 52.0300 16.3394 178.0447 62 C 3.6466 8.1242 114.2708 61.5558 40.1970 176.2059 63 K 4.0349 7.4797 123.9428 58.6631 32.8351 178.4135 64 N 4.8462 7.3745 115.6402 51.7109 40.5229 174.8778 65 G 4.2385 8.1389 116.3595 46.1454 0.0000 174.3381 66 D 4.3387 7.8563 122.5853 55.4514 41.2805 176.7694 67 K 4.2793 7.9460 115.5017 57.1397 29.5847 174.5738 68 N 4.9872 7.9007 113.2061 53.5379 41.1535 174.6408 69 C 5.1050 8.0255 115.0306 56.8763 43.7899 172.4791 70 H 4.9457 8.7325 116.9994 54.9200 32.7337 172.5298 71 Q 5.5816 8.5954 125.1231 54.0789 30.3415 175.4168 72 S 4.1531 8.5914 121.8237 58.8911 64.0712 175.0683 73 H 4.6313 8.9209 119.6242 55.2193 28.1894 175.2330 74 G 4.0220 7.4496 107.6299 45.5716 0.0000 170.3642 75 P 4.9031 0.0000 0.0000 62.4289 32.0081 176.1572 76 V 4.2823 8.1594 124.6674 59.5623 34.1039 175.7807 77 S 4.8086 8.7530 118.8316 59.0254 60.8990 173.1158 78 L 4.8605 8.8751 127.2290 54.5171 43.9003 175.8298 79 T 4.9521 9.1220 115.0023 62.5419 72.3394 173.8818 80 M 4.8057 9.1747 128.5656 54.6678 33.0694 175.1999 81 C 5.6706 9.2480 122.1494 55.0250 36.8455 173.2856 82 K 5.1126 8.4507 119.7659 54.8241 36.3735 175.1176 83 L 3.3089 8.7818 124.7557 54.9653 41.5564 176.7910 84 T 4.1056 8.4265 118.4657 63.0760 69.2437 175.1453 85 S 5.1306 8.0881 119.5962 57.0132 63.9302 176.0323 86 G 4.3065 9.0630 116.3141 48.1002 0.0000 171.9156 87 K 4.1188 7.2850 116.7434 55.3106 33.7687 174.3597 88 Y 4.5416 8.8915 120.1248 60.2875 39.2868 176.1424 89 P 4.0060 0.0000 0.0000 63.2917 32.0417 175.3932 90 N 5.1219 7.5093 118.1434 53.4799 40.4220 171.9218 91 C 4.9565 8.5364 112.5575 54.4232 44.1438 172.5821 92 R 4.9013 8.5007 120.1902 54.5927 31.5592 174.7957 93 Y 5.1453 8.8769 118.9810 56.2474 41.6000 174.8048 94 K 4.7937 8.5840 119.5084 54.5710 35.5290 175.2077 95 E 4.6486 8.7924 122.6414 55.1726 31.1514 175.3155 96 K 4.3856 8.4812 126.1506 54.3324 34.0751 175.1923 97 R 4.5028 8.6349 129.4017 56.3976 30.4276 175.0406 98 Q 4.8822 9.1324 127.8800 54.0779 33.1061 173.8877 99 N 5.6390 9.6541 119.9935 50.4197 39.2814 173.7382 100 K 4.5633 8.2929 121.3532 55.2123 37.4479 175.1570 101 S 4.7165 8.8082 118.6357 57.7970 64.0765 173.6639 102 Y 4.9795 7.0191 124.2431 55.4910 41.5431 174.0599 103 V 5.0592 9.2696 119.1453 61.6190 34.5115 174.9357 104 V 4.5817 8.7959 127.8738 59.8850 34.3729 175.3791 105 A 5.5329 8.4603 124.9562 50.8071 20.9245 175.2639 106 C 5.8369 8.4049 115.2210 54.5503 38.9019 173.9104 107 K 4.8172 8.1472 118.2865 54.1027 36.6827 173.6761 108 P 4.4723 0.0000 0.0000 62.2840 31.9222 173.3878 109 P 3.9604 0.0000 0.0000 64.5019 31.6232 175.9667 110 Q 3.8791 9.3326 122.1044 58.6244 27.6507 178.1963 111 K 4.5750 8.9507 124.2671 57.1025 35.2684 178.3658 112 K 3.7663 8.7011 120.1700 58.5355 32.6054 177.3750 113 D 4.3438 8.3744 113.2746 53.9909 37.4915 175.1816 114 S 4.3863 8.8091 125.7159 61.9129 63.3139 175.2253 115 Q 4.6745 8.1166 116.0369 55.6650 35.4485 176.3781 116 Q 5.6484 8.4931 126.4804 57.7905 26.4287 178.0764 117 F 2.8559 5.9127 114.0053 54.7599 41.1204 175.1321 118 H 4.6564 8.9275 119.3330 54.9484 26.7389 175.0594 119 L 5.0920 7.8918 120.5007 56.1826 41.6882 173.9960 120 V 3.3621 6.9390 112.5544 61.5510 33.6186 174.6084 121 P 4.1510 0.0000 0.0000 62.9440 30.6069 176.1219 122 V 3.7542 8.2728 126.2488 62.7825 31.3604 177.5688 123 H 2.5800 7.3166 119.1311 53.3624 32.8793 173.4169 124 L 4.7249 6.9209 121.7137 53.1852 42.8451 175.5173 125 D 4.6367 9.9168 129.3200 56.8456 41.6540 176.6162 126 R 4.3894 7.1093 112.5335 56.1467 32.3607 172.9106 127 V 4.8047 8.5698 118.4201 60.9872 33.9443 175.0573 128 L 4.4465 8.5374 128.6237 55.1775 41.8303 175.8279 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 0 M 8.29 4.45 0.00 2.02 1.62 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 1 K 9.14 3.96 0.00 1.94 1.81 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.52 7.81 2 P 0.00 4.30 0.00 2.06 2.09 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 3 K 8.60 4.14 0.00 1.87 1.85 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.35 7.81 4 G 9.45 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 5 M 7.46 4.80 0.00 2.03 1.98 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 2.50 2.86 0.00 6 T 7.80 4.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 7 S 8.72 4.18 0.00 3.89 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 8 S 7.77 4.52 0.00 3.63 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 9 Q 7.75 3.91 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 10 W 8.71 4.41 0.00 3.23 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 11 F 8.06 2.88 0.00 2.98 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 12 K 7.74 3.82 0.00 0.79 1.36 0.00 1.16 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.01 1.49 7.81 13 I 7.45 4.01 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.94 0.96 0.00 0.00 14 Q 6.71 4.17 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.30 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.00 15 H 7.75 3.52 0.00 2.90 3.02 0.00 5.61 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 M 8.26 4.89 0.00 2.17 2.47 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 17 Q 9.16 4.49 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 18 P 0.00 3.89 0.00 2.03 1.97 0.00 3.96 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 19 S 6.70 6.02 0.00 3.94 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 4.34 0.00 2.02 2.30 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 21 Q 7.83 3.85 0.00 2.15 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 5.97 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 22 A 7.81 4.19 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 23 C 8.58 3.76 0.00 2.94 2.98 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 24 N 8.11 4.51 0.00 2.92 2.88 0.00 0.00 7.11 7.72 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 25 S 7.57 4.26 0.00 4.08 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 26 A 8.48 3.95 0.90 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 27 M 8.53 3.89 0.00 1.18 1.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.83 0.00 28 K 7.78 4.05 0.00 1.98 1.87 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.76 1.62 7.81 29 N 7.92 4.47 0.00 3.02 2.92 0.00 0.00 7.39 7.93 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 30 I 7.64 4.17 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.76 1.11 0.00 0.00 31 N 8.77 5.06 0.00 3.38 3.26 0.00 0.00 6.79 6.07 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 32 K 7.66 4.17 0.00 1.90 2.11 0.00 0.76 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.62 7.81 33 H 7.79 4.45 0.00 3.13 2.96 0.00 5.60 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 34 T 7.87 4.40 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 35 K 7.63 4.14 0.00 1.75 1.79 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.41 7.81 36 R 6.90 3.01 0.00 1.43 1.59 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 37 C 8.54 4.83 0.00 3.29 3.34 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 38 K 8.43 3.85 0.00 1.88 2.05 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.56 7.81 39 D 10.18 5.08 0.00 2.91 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 40 L 7.78 5.11 0.00 1.70 1.54 1.04 1.08 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 41 N 9.13 5.01 0.00 2.75 2.53 0.00 0.00 6.55 7.41 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 42 T 8.31 4.96 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 1.26 0.00 0.00 43 F 9.40 4.57 0.00 2.87 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 44 L 8.86 5.04 0.00 1.53 1.60 -0.54 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.27 4.78 0.00 3.43 3.36 0.00 5.95 0.00 0.00 0.00 0.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.87 4.64 0.00 2.02 1.90 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 2.29 2.44 0.00 47 P 0.00 3.66 0.00 2.10 1.75 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 48 F 6.86 3.92 0.00 3.10 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 S 8.03 4.51 0.00 3.91 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 9.10 4.24 0.00 3.76 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 51 V 7.98 3.86 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 1.31 0.00 0.00 1.08 0.00 0.00 52 A 8.13 3.99 1.57 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 53 A 7.93 4.15 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 54 T 8.58 3.90 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 1.27 0.00 0.00 55 C 8.28 4.70 0.00 2.94 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 56 Q 7.88 4.10 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 57 T 7.52 4.01 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 1.31 0.00 0.00 58 P 0.00 4.11 0.00 2.08 2.00 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 59 K 8.30 4.95 0.00 1.76 1.48 0.00 1.22 0.00 0.00 2.33 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.35 7.81 60 I 7.81 4.45 1.86 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 1.32 0.42 0.90 0.00 0.00 61 A 8.49 4.38 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 62 C 8.12 3.65 0.00 2.94 2.98 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 63 K 7.48 4.03 0.00 1.87 1.74 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.38 7.81 64 N 7.37 4.85 0.00 2.65 2.74 0.00 0.00 6.81 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 65 G 8.14 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 0.00 0.00 0.00 0.00 66 D 7.86 4.34 0.00 2.72 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 67 K 7.95 4.28 0.00 1.86 1.83 0.00 1.72 0.00 0.00 2.28 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.50 7.81 68 N 7.90 4.99 0.00 2.70 2.68 0.00 0.00 6.97 7.80 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 69 C 8.03 5.10 0.00 2.92 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 70 H 8.73 4.95 0.00 3.22 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.60 5.58 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 72 S 8.59 4.15 0.00 3.49 3.53 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 73 H 8.92 4.63 0.00 3.08 3.33 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.45 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 0.00 0.00 0.00 75 P 0.00 4.90 0.00 2.07 2.05 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 76 V 8.16 4.28 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 0.01 0.00 0.00 1.18 0.00 0.00 77 S 8.75 4.81 0.00 3.95 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 78 L 8.88 4.86 0.00 2.15 2.10 1.04 0.73 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 79 T 9.12 4.95 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 1.22 0.00 0.00 80 M 9.17 4.81 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 81 C 9.25 5.67 0.00 3.27 3.06 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 82 K 8.45 5.11 0.00 1.83 1.92 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 83 L 8.78 3.31 0.00 1.47 1.62 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.43 4.11 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 1.23 0.00 0.00 85 S 8.09 5.13 0.00 4.09 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 86 G 9.06 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.28 4.12 0.00 1.82 2.06 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.22 7.81 88 Y 8.89 4.54 0.00 3.04 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 89 P 0.00 4.01 0.00 1.97 1.62 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 90 N 7.51 5.12 0.00 2.67 2.83 0.00 0.00 6.91 7.63 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 91 C 8.54 4.96 0.00 3.00 3.18 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 92 R 8.50 4.90 0.00 1.89 2.06 0.00 2.69 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 93 Y 8.88 5.15 0.00 2.79 3.06 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 94 K 8.58 4.79 0.00 1.68 1.68 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.49 7.81 95 E 8.79 4.65 0.00 1.90 1.90 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 2.21 2.28 0.00 96 K 8.48 4.39 0.00 1.84 1.87 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.37 7.81 97 R 8.63 4.50 0.00 1.86 1.85 0.00 3.21 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 98 Q 9.13 4.88 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 99 N 9.65 5.64 0.00 2.55 2.79 0.00 0.00 6.76 7.02 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 0.00 100 K 8.29 4.56 0.00 1.69 1.80 0.00 1.71 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.51 7.81 101 S 8.81 4.72 0.00 3.70 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 0.00 102 Y 7.02 4.98 0.00 3.19 3.23 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 0.00 103 V 9.27 5.06 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 1.17 0.00 0.00 1.05 0.00 0.00 104 V 8.80 4.58 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 0.56 0.00 0.00 0.86 0.00 0.00 105 A 8.46 5.53 1.20 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 0.00 106 C 8.40 5.84 0.00 2.64 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.15 4.82 0.00 1.59 1.60 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.37 7.81 108 P 0.00 4.47 0.00 2.09 2.07 0.00 3.78 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 1.98 2.00 0.00 109 P 0.00 3.96 0.00 2.05 2.28 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 110 Q 9.33 3.88 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 111 K 8.95 4.58 0.00 1.80 1.87 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.47 7.81 112 K 8.70 3.77 0.00 1.82 1.91 0.00 1.84 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.47 7.81 113 D 8.37 4.34 0.00 3.10 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.81 4.39 0.00 4.29 4.38 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 4.67 0.00 1.29 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 116 Q 8.49 5.65 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.30 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 117 F 5.91 2.86 0.00 3.15 3.42 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 0.00 118 H 8.93 4.66 0.00 3.34 3.83 0.00 5.63 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.89 5.09 0.00 1.66 1.56 1.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 120 V 6.94 3.36 1.69 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 0.40 0.00 0.00 0.88 0.00 0.00 121 P 0.00 4.15 0.00 2.00 2.17 0.00 3.31 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 122 V 8.27 3.75 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 0.63 0.00 0.00 0.61 0.00 0.00 123 H 7.32 2.58 0.00 2.72 2.86 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 6.92 4.72 0.00 1.24 1.26 0.68 1.17 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 0.00 125 D 9.92 4.64 0.00 2.58 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 0.00 126 R 7.11 4.39 0.00 1.87 2.05 0.00 2.92 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 127 V 8.57 4.80 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 0.94 0.00 0.00 1.00 0.00 0.00 128 L 8.54 4.45 0.00 1.69 1.49 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00