NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2672 8.3144 120.1356 56.2245 32.6111 174.6073 2 E 4.1639 8.4582 125.3385 53.1410 30.7342 175.2125 3 S 4.4637 8.7363 122.4483 57.8125 66.4234 174.7456 4 A 4.0029 8.4781 123.1499 55.1265 18.0403 179.7683 5 A 3.9858 7.9948 118.9102 55.2550 18.5238 179.5649 6 A 4.0375 7.8743 119.2161 54.8569 18.3505 179.8706 7 K 3.8675 8.3602 118.5180 59.5308 32.3099 178.6227 8 F 4.0206 8.3803 120.9935 61.4839 39.2896 176.7408 9 E 3.9792 8.3314 117.9740 59.5462 29.0955 179.4472 10 R 3.8251 7.8350 117.0691 59.6822 30.2786 178.3007 11 Q 4.0407 8.1050 116.5218 57.8172 28.8424 176.4077 12 H 4.7147 7.7586 113.3375 55.0403 30.3969 172.9708 13 M 4.6949 7.8157 119.9169 53.6418 34.1596 176.4621 14 D 4.7350 8.1882 122.1779 52.8013 42.0890 174.0215 15 S 4.2120 8.1959 117.2847 57.1351 63.8607 174.6172 16 G 4.3127 7.9130 117.2619 45.7626 0.0000 171.9699 17 N 4.6823 8.3842 117.2005 54.2226 39.9072 176.4258 18 S 4.6959 7.5320 112.6514 55.7723 63.1031 172.4998 19 P 4.2513 0.0000 0.0000 66.0047 31.6184 178.2943 20 S 4.6252 7.8312 110.7700 57.5627 63.4891 173.9035 21 S 4.2091 7.7513 116.1544 58.8066 62.7960 175.5702 22 S 4.2755 8.6924 120.3924 61.0481 62.9184 176.5587 23 S 4.2608 8.0687 115.2664 60.7325 63.1003 174.8142 24 N 4.6241 8.2124 117.7091 54.1395 39.1853 176.1250 25 Y 4.0698 7.9824 119.8193 61.2526 38.5967 177.6018 26 C 4.1080 8.2897 116.6520 60.0276 38.5907 175.7516 27 N 4.3820 8.2449 117.4796 56.5510 38.0919 177.3190 28 L 4.0286 7.7299 119.9057 58.0521 41.6803 179.5040 29 M 3.6832 7.9649 119.0008 58.3937 31.6157 178.7435 30 M 4.0150 8.0526 119.1805 58.2852 32.0083 178.4173 31 C 4.1354 7.5670 118.7694 62.0738 31.6404 174.8876 32 C 3.9060 7.8597 119.4974 62.6995 31.0974 174.6796 33 R 4.3570 8.1134 115.8442 55.6309 29.4644 176.4365 34 K 3.8469 7.6219 115.4761 58.2123 30.3422 175.7318 35 M 4.5827 8.4378 115.5217 55.3798 32.6763 177.2333 36 T 5.5925 7.4819 108.7319 60.4685 69.5382 173.5372 37 Q 4.3032 8.3213 122.6538 56.6324 28.5842 177.2884 38 G 3.6603 9.4541 111.4774 45.0842 0.0000 172.0692 39 K 3.6547 6.5919 117.0090 56.4901 35.3671 173.2485 40 C 5.1116 8.6648 117.6428 54.8976 41.0332 173.9747 41 K 4.2359 8.5483 127.4324 55.6239 32.5366 174.8427 42 P 4.7283 0.0000 0.0000 65.0316 32.3093 176.3884 43 V 5.0835 7.5403 117.5353 61.1240 34.8875 173.9690 44 N 4.6774 8.9129 123.0051 52.8615 42.8422 172.9359 45 T 4.7713 7.8831 121.5756 61.6615 71.0039 173.3635 46 F 4.6730 8.8214 124.8089 55.6921 41.7072 174.7201 47 V 4.4878 8.3696 122.1916 61.3947 33.1859 174.7174 48 H 4.9260 9.1012 124.3369 55.8047 29.3379 174.9821 49 E 4.4649 8.0436 118.8105 54.7723 31.1734 176.1132 50 S 4.3487 8.2231 114.5069 57.8922 64.0656 174.9047 51 L 3.9254 8.7835 124.0206 58.5995 41.7617 179.1314 52 A 3.9864 8.0733 119.9372 55.5632 18.0083 179.2396 53 D 4.3402 7.8224 115.9340 57.3831 41.0609 178.8420 54 V 3.7919 7.7231 118.4101 65.7476 31.6904 178.1444 55 K 3.9991 8.5047 118.5852 59.1370 31.8873 178.8777 56 A 4.1217 7.9107 119.9422 54.1525 18.1910 179.6474 57 V 3.5968 7.4744 117.3216 65.9320 31.3961 176.9820 58 C 3.8824 7.7905 114.6389 58.1349 39.9309 174.2041 59 S 4.6483 7.4564 114.9602 57.9619 63.9196 174.9104 60 Q 4.6131 7.6146 121.0697 56.5649 28.2840 177.5711 61 K 4.1766 8.6406 129.9225 57.1620 32.9826 175.5091 62 K 3.9532 8.6031 129.7344 56.0118 32.5600 176.0803 63 V 4.5414 8.3600 119.7529 59.5744 36.3523 175.0608 64 T 4.3159 8.2775 118.3333 63.4799 69.3268 175.8259 65 C 4.7460 9.0352 122.9856 55.5433 41.6570 175.0780 66 K 3.8047 8.5738 121.1111 59.7072 31.5856 178.0157 67 N 4.6517 8.0951 113.7536 52.7070 37.2177 176.2002 68 G 3.9493 8.0937 108.1416 46.1569 0.0000 174.5854 69 Q 4.2798 8.3562 119.3165 56.1834 29.2718 176.1608 70 T 4.6659 8.2397 107.6860 61.6490 69.2649 173.8651 71 N 5.0350 8.0361 117.7881 54.0012 38.4511 174.3370 72 C 5.4819 7.5360 115.8728 56.6380 38.2384 172.7983 73 Y 5.2011 9.1367 119.0805 56.3546 41.6662 174.0586 74 Q 5.1309 9.1147 125.7735 54.2591 31.2437 174.9382 75 S 4.7704 8.6732 121.6626 58.2395 63.2534 174.8373 76 K 4.1415 9.7115 122.3664 59.0202 32.8049 176.9302 77 S 4.9571 7.7434 114.1419 56.5338 65.7797 173.8708 78 T 4.3376 8.1692 111.2394 61.8127 70.1727 173.6707 79 M 5.0657 9.0962 121.1141 53.6516 37.2795 174.6173 80 R 4.7275 9.1864 120.7259 55.7831 31.4551 175.9589 81 I 5.1629 8.6413 116.5546 59.5522 41.9696 174.0904 82 T 5.0666 8.9541 119.6846 62.0419 71.7548 172.6764 83 D 5.0531 9.3053 126.9295 53.0190 43.3189 174.7567 84 C 5.6149 9.1494 120.8112 55.2923 41.5007 173.2593 85 R 5.3689 8.9507 122.0862 54.0454 33.8185 174.7533 86 E 4.0581 9.3483 123.6769 56.9087 30.7953 177.0951 87 T 4.2617 8.5771 113.7453 60.5956 70.2231 175.8260 88 G 3.8735 8.8278 112.7069 49.0020 0.0000 174.5353 89 S 4.5586 7.8114 112.1727 57.8851 63.3737 173.5200 90 S 4.2323 7.8437 116.5826 58.2818 62.6984 173.5048 91 K 4.4689 8.7311 128.5927 54.5876 34.9021 174.5575 92 Y 4.1779 8.8381 127.4977 57.9269 38.9554 173.6678 93 P 3.3306 0.0000 0.0000 62.3401 31.7070 176.1774 94 N 4.7632 8.1179 119.3588 52.0838 38.1154 172.4041 95 C 4.7534 8.1613 118.3531 56.0288 42.9210 173.1660 96 A 5.0504 8.6135 124.6166 50.5396 22.1067 174.6511 97 Y 5.0771 9.5259 118.8980 56.0787 42.3347 174.7462 98 K 4.5880 9.2277 123.9001 55.4917 34.3708 175.1253 99 T 5.0602 8.5421 123.5971 62.5969 70.2713 174.1591 100 T 4.5928 8.9062 122.6031 61.9204 72.0511 172.8397 101 Q 4.9815 8.8080 125.9559 54.6129 30.4944 175.3031 102 V 4.5848 8.5441 116.6805 59.6524 36.8923 174.4640 103 E 4.7135 8.7293 119.4421 55.0066 31.9224 175.2973 104 K 4.7747 8.6709 122.8943 54.8360 37.6130 175.4534 105 H 5.0921 9.4525 118.4738 55.5161 30.3823 175.0022 106 I 4.9374 8.6426 113.9537 59.2656 41.1057 174.4455 107 I 4.9898 8.3890 123.7425 59.7877 40.4554 175.0699 108 V 4.7870 8.4544 119.1393 59.3320 36.0656 174.3100 109 A 5.0976 8.8601 124.6486 50.9088 20.7536 175.5158 110 C 5.3975 9.1079 120.1595 55.2751 44.1202 173.5791 111 G 4.1103 8.9754 109.0871 45.8284 0.0000 172.8858 112 G 4.2919 9.3570 108.1711 44.5833 0.0000 172.3646 113 K 4.4603 8.1085 119.2235 53.8439 33.9921 174.1759 114 P 4.3568 0.0000 0.0000 62.4724 31.8172 175.8978 115 S 4.5841 8.3053 115.0368 58.3312 62.7438 173.5577 116 V 4.6099 8.7269 119.3731 58.6259 36.5006 173.0650 117 P 4.7285 0.0000 0.0000 63.3386 30.9275 176.7136 118 V 4.3520 9.0352 117.5868 61.8515 34.2714 175.8326 119 H 5.0312 7.9590 115.7807 53.9968 33.5214 172.1940 120 F 4.6566 8.8602 124.0667 57.1861 39.6819 174.6349 121 D 4.5825 8.5033 127.0136 56.1877 41.9425 175.7724 122 A 4.6297 6.5746 117.4092 51.5873 22.3259 174.8030 123 S 5.2714 8.8734 113.2934 56.6910 66.5058 174.6467 124 V 4.1410 8.8263 120.5531 62.2014 31.5056 174.6898 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.31 4.27 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 2 E 8.46 4.16 0.00 2.01 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 2.27 2.37 0.00 3 S 8.74 4.46 0.00 4.10 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 4 A 8.48 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.99 3.99 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 6 A 7.87 4.04 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 7 K 8.36 3.87 0.00 1.95 2.00 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 8 F 8.38 4.02 0.00 3.26 3.27 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 0.00 9 E 8.33 3.98 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 10 R 7.84 3.83 0.00 1.78 2.06 0.00 3.23 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 1.58 1.63 0.00 11 Q 8.11 4.04 0.00 1.67 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 12 H 7.76 4.71 0.00 2.06 2.83 0.00 5.60 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.82 4.69 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 14 D 8.19 4.73 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.20 4.21 0.00 3.91 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 16 G 7.91 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 17 N 8.38 4.68 0.00 2.73 2.88 0.00 0.00 6.71 7.57 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 18 S 7.53 4.70 0.00 3.94 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 19 P 0.00 4.25 0.00 2.19 2.23 0.00 3.75 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 1.99 1.96 0.00 20 S 7.83 4.63 0.00 3.99 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 21 S 7.75 4.21 0.00 3.92 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 22 S 8.69 4.28 0.00 4.01 4.10 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 0.00 0.00 0.00 23 S 8.07 4.26 0.00 4.05 4.07 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 24 N 8.21 4.62 0.00 2.95 2.90 0.00 0.00 6.43 7.60 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 25 Y 7.98 4.07 0.00 3.01 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 26 C 8.29 4.11 0.00 3.15 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 27 N 8.24 4.38 0.00 2.90 2.93 0.00 0.00 7.12 6.74 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 28 L 7.73 4.03 0.00 1.69 1.58 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.96 3.68 0.00 0.98 1.21 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.63 0.00 30 M 8.05 4.01 0.00 1.74 1.91 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.39 0.00 31 C 7.57 4.14 0.00 3.10 3.14 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 32 C 7.86 3.91 0.00 2.92 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 33 R 8.11 4.36 0.00 2.02 2.01 0.00 3.57 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 34 K 7.62 3.85 0.00 1.91 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.55 7.81 35 M 8.44 4.58 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.44 0.00 36 T 7.48 5.59 4.44 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 0.00 0.00 0.00 1.43 0.00 0.00 37 Q 8.32 4.30 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 38 G 9.45 3.66 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 0.00 0.00 0.00 39 K 6.59 3.65 0.00 1.68 1.62 0.00 1.20 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.24 7.81 40 C 8.66 5.11 0.00 3.07 3.14 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 41 K 8.55 4.24 0.00 1.88 1.80 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.40 7.81 42 P 0.00 4.73 0.00 2.18 2.31 0.00 3.89 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 43 V 7.54 5.08 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 0.81 0.00 0.00 0.97 0.00 0.00 44 N 8.91 4.68 0.00 2.69 2.28 0.00 0.00 6.96 6.69 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 45 T 7.88 4.77 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 46 F 8.82 4.67 0.00 3.06 2.87 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 47 V 8.37 4.49 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.01 0.00 0.00 48 H 9.10 4.93 0.00 3.14 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.04 4.46 0.00 1.98 1.91 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 2.31 2.26 0.00 50 S 8.22 4.35 0.00 4.01 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 51 L 8.78 3.93 0.00 1.79 1.73 0.94 1.17 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 52 A 8.07 3.99 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 53 D 7.82 4.34 0.00 2.89 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 54 V 7.72 3.79 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 1.12 0.00 0.00 0.98 0.00 0.00 55 K 8.50 4.00 0.00 1.95 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.59 7.81 56 A 7.91 4.12 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 57 V 7.47 3.60 2.23 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 1.09 0.00 0.00 1.02 0.00 0.00 58 C 7.79 3.88 0.00 2.93 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 59 S 7.46 4.65 0.00 3.89 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 60 Q 7.61 4.61 0.00 2.23 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 61 K 8.64 4.18 0.00 1.98 1.71 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.37 7.81 62 K 8.60 3.95 0.00 1.63 1.53 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.97 0.85 7.81 63 V 8.36 4.54 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.85 0.00 0.00 64 T 8.28 4.32 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 1.21 0.00 0.00 65 C 9.04 4.75 0.00 3.10 2.97 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 66 K 8.57 3.80 0.00 1.75 1.87 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.47 7.81 67 N 8.10 4.65 0.00 2.81 2.88 0.00 0.00 6.10 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.09 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 0.00 0.00 0.00 69 Q 8.36 4.28 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 70 T 8.24 4.67 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 1.16 0.00 0.00 71 N 8.04 5.04 0.00 2.85 3.07 0.00 0.00 6.00 7.68 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 72 C 7.54 5.48 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 9.14 5.20 0.00 2.85 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 74 Q 9.11 5.13 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 75 S 8.67 4.77 0.00 3.96 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 76 K 9.71 4.14 0.00 1.86 2.01 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.43 7.81 77 S 7.74 4.96 0.00 3.75 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 78 T 8.17 4.34 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 1.09 0.00 0.00 79 M 9.10 5.07 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 80 R 9.19 4.73 0.00 1.80 1.88 0.00 3.06 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 81 I 8.64 5.16 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 1.04 0.00 0.00 82 T 8.95 5.07 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 83 D 9.31 5.05 0.00 2.58 2.60 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 84 C 9.15 5.61 0.00 2.89 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 8.95 5.37 0.00 1.80 1.82 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 86 E 9.35 4.06 0.00 1.96 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 1.97 1.70 0.00 87 T 8.58 4.26 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 1.20 0.00 0.00 88 G 8.83 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 89 S 7.81 4.56 0.00 3.97 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 90 S 7.84 4.23 0.00 3.85 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 91 K 8.73 4.47 0.00 1.78 1.57 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.39 7.81 92 Y 8.84 4.18 0.00 2.98 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 93 P 0.00 3.33 0.00 1.75 1.19 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 94 N 8.12 4.76 0.00 2.75 2.71 0.00 0.00 7.04 7.70 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 95 C 8.16 4.75 0.00 3.10 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 96 A 8.61 5.05 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.53 5.08 0.00 2.78 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 98 K 9.23 4.59 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 99 T 8.54 5.06 4.32 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 1.32 0.00 0.00 100 T 8.91 4.59 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 1.24 0.00 0.00 101 Q 8.81 4.98 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 102 V 8.54 4.58 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 0.93 0.00 0.00 0.96 0.00 0.00 103 E 8.73 4.71 0.00 1.79 1.86 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 2.20 2.31 0.00 104 K 8.67 4.77 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 105 H 9.45 5.09 0.00 3.11 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.64 4.94 1.79 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 1.16 0.00 0.00 107 I 8.39 4.99 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.82 0.00 0.00 108 V 8.45 4.79 2.14 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 0.60 0.00 0.00 0.95 0.00 0.00 109 A 8.86 5.10 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 0.00 110 C 9.11 5.40 0.00 2.93 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 0.00 111 G 8.98 4.11 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 0.00 0.00 0.00 112 G 9.36 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.11 4.46 0.00 1.66 1.66 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.36 7.81 114 P 0.00 4.36 0.00 2.19 2.02 0.00 3.81 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 1.97 1.94 0.00 115 S 8.31 4.58 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.73 4.61 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 0.74 0.00 0.00 0.97 0.00 0.00 117 P 0.00 4.73 0.00 1.95 2.02 0.00 3.62 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 2.03 2.11 0.00 118 V 9.04 4.35 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 0.71 0.00 0.00 0.92 0.00 0.00 119 H 7.96 5.03 0.00 3.02 3.12 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.86 4.66 0.00 3.07 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 0.00 121 D 8.50 4.58 0.00 2.59 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 0.00 122 A 6.57 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.87 5.27 0.00 4.01 4.10 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 0.00 0.00 0.00 124 V 8.83 4.14 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 0.72 0.00 0.00 0.93 0.00 0.00