NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.3568 8.2931 120.3234 53.9190 33.6480 176.5982 5 G 4.5537 8.1711 112.3038 43.2694 0.0000 172.0028 6 S 4.2467 9.4065 116.0456 59.4217 64.2427 172.5834 7 Q 5.0529 7.9891 120.5567 54.2050 32.1490 174.8486 8 F 4.9533 8.9294 119.9474 55.5918 43.8702 173.8141 9 W 5.3406 9.1650 132.7887 56.7115 31.1021 175.4267 10 V 4.6435 8.3864 120.2814 59.7339 35.7502 174.7980 11 T 5.0454 8.2365 118.0871 61.7226 71.7031 173.7499 12 S 4.4586 9.6241 121.8270 58.2205 63.2896 172.9143 13 Q 4.5441 8.1708 128.3680 53.6530 30.7173 175.0546 14 K 3.6699 8.8151 127.5081 57.5914 32.7229 175.8812 15 T 4.5877 8.2090 115.1727 59.1019 73.4305 174.5202 16 E 3.8102 8.4214 120.1401 59.1630 29.6886 178.3134 17 A 3.8196 7.5094 120.5775 55.1469 18.3579 179.6798 18 S 4.2725 7.3586 112.4436 61.3972 62.9428 176.6134 19 E 3.9119 8.0121 122.2263 59.2305 29.0028 178.9071 20 R 3.9054 7.7599 117.5053 59.6431 30.1718 177.4045 21 C 4.5753 7.9005 112.5586 58.9645 28.3288 173.8983 22 G 3.9977 8.1461 108.6343 46.3139 0.0000 174.1740 23 L 4.8368 8.1477 119.2593 54.1420 41.4960 175.4857 24 Q 4.6941 8.6654 119.5146 55.7811 33.6227 178.3316 25 G 4.1210 7.4457 100.3234 46.7433 0.0000 175.6614 26 S 5.0024 8.7611 117.6785 57.5712 64.5887 171.3588 27 Y 4.5170 8.0856 119.0698 57.1439 43.3563 173.4029 28 I 5.0157 9.2790 121.4357 59.9258 39.7144 174.9634 29 L 5.2296 9.1133 129.1715 53.2626 44.4298 175.0538 30 R 5.1983 9.0699 123.2708 54.5053 32.7518 174.9545 31 V 4.6252 8.6787 115.4503 60.3953 33.4985 175.1612 32 E 5.1415 8.4540 125.1175 54.3349 32.3007 175.6904 33 A 4.1703 8.7970 122.3439 55.2168 18.5655 178.1955 34 E 5.2457 7.8700 110.4320 54.7521 31.5425 175.2999 35 K 3.6947 6.6579 118.5677 56.3837 36.0786 173.5470 36 L 5.2430 8.4403 119.8931 53.3762 44.4080 176.2227 37 T 5.2755 8.8201 118.4908 61.7856 72.8585 172.4532 38 L 5.1122 8.8520 127.7901 53.5263 44.1793 175.1189 39 L 5.3322 9.2776 125.9368 53.2874 45.8559 175.2334 40 T 5.0347 8.4729 115.1940 60.4073 71.6730 172.1533 41 L 5.1669 8.4020 123.4114 52.5334 43.2908 177.3142 42 G 3.7310 10.1212 112.8622 46.9616 0.0000 176.6667 43 A 3.5668 7.8279 117.4522 50.4485 21.2039 180.5463 44 Q 4.3777 8.7958 124.8600 57.2473 30.6656 172.8898 45 S 4.4016 8.8266 117.2229 58.0270 66.8803 173.9465 46 Q 3.4969 7.9201 117.0976 57.5623 25.6255 173.5022 47 I 4.3330 7.3195 111.4098 60.3653 39.7973 175.9478 48 L 5.5263 7.9738 123.5459 53.5249 43.7599 174.8449 49 E 4.8202 8.1735 115.6977 54.8715 33.9750 173.2410 50 P 4.3205 0.0000 0.0000 63.0167 31.5247 175.4651 51 L 4.3594 8.9430 126.8647 56.2830 43.2843 176.4051 52 L 4.2957 7.1568 116.7258 52.6403 46.2981 175.0073 53 F 5.3006 7.8695 119.4677 55.7079 42.0964 175.3062 54 W 4.7423 9.5222 124.0659 53.5291 30.2643 172.5496 55 P 4.3853 0.0000 0.0000 62.7687 31.7893 177.0000 56 Y 4.4061 8.7627 121.9940 61.5148 37.9443 178.3186 57 T 4.2253 8.0345 106.6798 62.8654 69.1351 174.4241 58 L 4.7164 8.1924 121.5815 54.5177 42.6606 175.3245 59 L 5.0244 7.7995 120.1547 53.2874 42.5688 176.6865 60 R 4.3274 9.0091 124.2713 58.8009 30.4585 177.0424 61 R 4.7953 7.9885 112.6739 56.1230 32.0918 172.6608 62 Y 5.1649 7.8327 116.2040 56.3420 41.4422 173.6109 63 G 4.3374 8.6030 107.6327 45.9547 0.0000 171.1938 64 R 5.0227 8.1125 115.1296 56.1064 31.9540 172.7360 65 D 4.5186 8.4630 116.3913 52.8445 41.8460 175.9646 66 K 4.2014 8.6613 117.3078 58.1952 32.2891 177.6445 67 V 4.3879 9.3336 120.6987 64.1787 34.1221 174.6499 68 M 5.1297 7.8917 115.4461 54.5833 35.2196 173.2247 69 F 5.3840 9.0083 119.4874 56.8879 43.1358 173.7790 70 S 5.1722 8.3010 120.5433 57.3347 67.9407 172.4711 71 F 5.1782 8.2480 114.2121 56.1753 41.6009 172.5526 72 E 5.0616 9.2152 121.0517 54.4016 32.0724 174.9976 73 A 4.8918 9.5294 129.8481 51.6851 20.3233 177.1599 74 G 4.4648 9.4224 109.0089 45.3704 0.0000 174.6808 75 R 4.3804 8.6639 114.8151 57.1879 29.8067 177.1648 76 R 4.2747 7.8329 117.8595 57.1541 30.8584 176.0118 77 C 4.4885 7.7674 115.7637 59.5844 28.7582 173.0330 78 P 4.3197 0.0000 0.0000 65.4679 31.1562 178.3147 79 S 4.1634 7.8565 112.2131 59.2543 63.3286 175.5386 80 G 4.1461 8.0219 105.1721 44.3372 0.0000 171.2285 81 P 4.7568 0.0000 0.0000 62.6658 32.2497 175.9900 82 G 3.9922 7.4438 105.6254 43.9562 0.0000 172.0553 83 T 4.7972 7.5368 116.3951 61.8742 70.4850 174.7910 84 F 4.2170 8.2239 123.4175 55.6641 42.3380 174.1525 85 T 4.8971 7.8997 119.5659 61.5800 72.1197 173.0054 86 F 5.3827 8.9299 124.0150 55.3573 42.6305 174.4333 87 Q 4.5794 9.1414 123.2993 56.7751 29.5482 175.2833 88 T 4.4794 8.9371 115.1177 61.5327 70.8925 172.8017 89 S 4.9103 8.9438 121.1207 58.5155 63.6022 174.1785 90 Q 4.6820 8.0628 119.8583 55.5079 29.6803 177.7782 91 G 3.9609 8.5614 107.3326 48.4626 0.0000 175.5256 92 N 4.4398 8.1764 118.2205 56.1971 38.5736 177.0829 93 D 4.4223 8.0340 119.7201 57.4289 40.9300 178.6896 94 I 3.0082 7.2582 120.2722 64.0261 36.7983 178.3070 95 F 4.2675 8.2890 121.6264 61.4542 39.2575 177.3133 96 Q 4.1090 8.8011 118.0278 58.6572 28.4372 178.4672 97 A 3.9730 8.4107 122.4030 55.0934 18.4680 179.8884 98 V 3.1617 7.8751 117.1536 65.9545 31.5721 177.7463 99 E 3.8843 8.3447 120.3447 58.5583 29.2461 178.6480 100 A 3.9283 8.1091 120.5186 55.2413 18.5174 179.5703 101 A 3.9529 8.1255 119.3369 55.1565 18.3315 179.8732 102 I 3.7114 7.5330 118.4922 64.2710 37.1767 178.5311 103 Q 4.0571 8.0342 118.9595 58.7036 28.2288 178.6282 104 Q 4.0284 7.6016 118.7543 58.7680 29.2183 177.8618 105 Q 4.1389 8.1847 120.9522 58.9216 29.0569 178.3685 106 K 4.1108 8.5725 120.2658 59.5906 32.4382 178.7655 107 A 4.4248 7.6624 117.6898 52.6276 17.9618 177.2875 108 Q 4.2038 8.0548 124.7342 57.0333 29.1815 175.6089 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 4 M 8.29 4.36 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 5 G 8.17 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.41 4.25 0.00 3.89 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 7 Q 7.99 5.05 0.00 1.73 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 8 F 8.93 4.95 0.00 2.98 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 9 W 9.16 5.34 0.00 3.35 3.13 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 0.00 0.00 0.00 0.00 10 V 8.39 4.64 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 0.68 0.00 0.00 0.60 0.00 0.00 11 T 8.24 5.05 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 1.30 0.00 0.00 12 S 9.62 4.46 0.00 4.16 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 13 Q 8.17 4.54 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.49 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 14 K 8.82 3.67 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.36 1.54 7.81 15 T 8.21 4.59 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 0.98 0.00 0.00 16 E 8.42 3.81 0.00 1.96 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 2.31 2.32 0.00 17 A 7.51 3.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 4.27 0.00 4.04 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 19 E 8.01 3.91 0.00 2.17 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 2.30 2.47 0.00 20 R 7.76 3.91 0.00 1.80 2.19 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 21 C 7.90 4.58 0.00 3.22 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 22 G 8.15 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 0.00 0.00 0.00 23 L 8.15 4.84 0.00 1.73 1.75 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.67 4.69 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 25 G 7.45 4.12 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 0.00 26 S 8.76 5.00 0.00 3.51 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 27 Y 8.09 4.52 0.00 2.68 2.85 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 0.00 0.00 0.00 28 I 9.28 5.02 2.19 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 1.45 1.25 1.03 0.00 0.00 29 L 9.11 5.23 0.00 1.40 1.45 0.95 0.56 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 30 R 9.07 5.20 0.00 2.08 2.03 0.00 2.97 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 31 V 8.68 4.63 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 0.88 0.00 0.00 1.00 0.00 0.00 32 E 8.45 5.14 0.00 1.79 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 2.20 2.19 0.00 33 A 8.80 4.17 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 34 E 7.87 5.25 0.00 1.86 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 0.00 2.11 2.05 0.00 35 K 6.66 3.69 0.00 1.58 1.54 0.00 0.87 0.00 0.00 1.31 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.16 7.81 36 L 8.44 5.24 0.00 1.70 1.74 0.23 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.82 5.28 4.41 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 1.46 0.00 0.00 38 L 8.85 5.11 0.00 1.98 1.42 0.82 0.28 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 39 L 9.28 5.33 0.00 1.72 1.59 1.01 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.47 5.03 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 1.30 0.00 0.00 41 L 8.40 5.17 0.00 1.63 1.61 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 G 10.12 3.73 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 0.00 0.00 0.00 43 A 7.83 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.80 4.38 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 45 S 8.83 4.40 0.00 3.81 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 46 Q 7.92 3.50 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 47 I 7.32 4.33 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.91 0.00 0.00 48 L 7.97 5.53 0.00 1.86 1.69 0.94 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 49 E 8.17 4.82 0.00 1.94 1.83 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 2.26 2.36 0.00 50 P 0.00 4.32 0.00 1.82 2.01 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 51 L 8.94 4.36 0.00 1.73 1.53 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.16 4.30 0.00 0.71 0.13 0.74 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.87 5.30 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.52 4.74 0.00 3.16 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 55 P 0.00 4.39 0.00 2.08 1.92 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 56 Y 8.76 4.41 0.00 3.12 2.85 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 0.00 0.00 0.00 57 T 8.03 4.23 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 1.26 0.00 0.00 58 L 8.19 4.72 0.00 2.05 1.81 0.97 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.80 5.02 0.00 1.93 1.73 1.08 0.90 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 60 R 9.01 4.33 0.00 1.93 2.05 0.00 3.34 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 61 R 7.99 4.80 0.00 1.81 2.00 0.00 2.98 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 62 Y 7.83 5.16 0.00 2.99 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 63 G 8.60 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 0.00 0.00 0.00 64 R 8.11 5.02 0.00 2.30 2.33 0.00 2.82 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.84 0.00 65 D 8.46 4.52 0.00 2.86 2.78 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 66 K 8.66 4.20 0.00 1.78 1.92 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.43 7.81 67 V 9.33 4.39 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 1.01 0.00 0.00 0.95 0.00 0.00 68 M 7.89 5.13 0.00 2.32 2.26 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 2.66 2.52 0.00 69 F 9.01 5.38 0.00 3.20 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 70 S 8.30 5.17 0.00 3.58 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 71 F 8.25 5.18 0.00 3.12 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 72 E 9.22 5.06 0.00 2.04 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 0.00 2.23 2.28 0.00 73 A 9.53 4.89 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 0.00 0.00 0.00 0.00 0.00 74 G 9.42 4.46 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 0.00 75 R 8.66 4.38 0.00 1.98 2.11 0.00 3.06 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 76 R 7.83 4.27 0.00 1.84 2.03 0.00 3.27 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 77 C 7.77 4.49 0.00 3.33 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 78 P 0.00 4.32 0.00 1.81 2.00 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 1.96 2.05 0.00 79 S 7.86 4.16 0.00 4.45 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 80 G 8.02 4.15 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 0.00 0.00 0.00 81 P 0.00 4.76 0.00 2.24 2.22 0.00 3.82 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 2.02 2.00 0.00 82 G 7.44 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 0.00 0.00 0.00 83 T 7.54 4.80 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 0.97 0.00 0.00 84 F 8.22 4.22 0.00 1.51 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 85 T 7.90 4.90 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 1.19 0.00 0.00 86 F 8.93 5.38 0.00 3.18 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 87 Q 9.14 4.58 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 88 T 8.94 4.48 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 1.37 0.00 0.00 89 S 8.94 4.91 0.00 4.06 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 90 Q 8.06 4.68 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 91 G 8.56 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 0.00 0.00 0.00 92 N 8.18 4.44 0.00 2.85 2.91 0.00 0.00 7.11 8.08 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 93 D 8.03 4.42 0.00 2.87 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 94 I 7.26 3.01 1.22 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.87 0.00 0.00 95 F 8.29 4.27 0.00 3.58 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 96 Q 8.80 4.11 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 97 A 8.41 3.97 1.43 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 0.00 0.00 0.00 98 V 7.88 3.16 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 -0.07 0.00 0.00 0.69 0.00 0.00 99 E 8.34 3.88 0.00 1.84 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 2.51 2.18 0.00 100 A 8.11 3.93 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 0.00 101 A 8.13 3.95 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 0.00 102 I 7.53 3.71 1.70 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.12 0.85 0.00 0.00 103 Q 8.03 4.06 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 104 Q 7.60 4.03 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 105 Q 8.18 4.14 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 106 K 8.57 4.11 0.00 2.01 2.14 0.00 1.37 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.58 7.81 107 A 7.66 4.42 1.38 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 0.00 0.00 108 Q 8.05 4.20 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.49 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00