NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4121 8.2893 120.3486 55.3588 33.1057 174.7469 2 N 4.6472 8.5880 124.0407 51.5053 38.8933 172.9758 3 I 4.5984 8.7939 121.0817 59.5859 41.9256 176.3691 4 I 4.3653 8.3102 123.6353 59.6562 38.4628 175.1396 5 K 4.4488 8.5961 124.8335 54.3868 34.0015 176.2892 6 A 4.5650 8.3815 126.3793 50.8016 20.8084 175.0418 7 N 5.0473 8.1930 116.8054 51.9735 41.4776 175.5835 8 V 3.9278 8.1617 114.0232 62.4687 32.3355 176.7998 9 A 4.2596 8.1028 123.6544 52.1198 18.6492 177.9447 10 A 4.6028 8.2896 122.3544 51.2510 21.3822 174.0812 11 P 4.8023 0.0000 0.0000 64.8951 32.1670 178.7206 12 D 4.7821 8.0709 115.9811 54.2326 40.5847 175.7679 13 A 4.6418 7.5954 124.7962 51.8062 20.2680 178.2979 14 R 4.8248 9.4996 120.8152 55.1077 32.6522 175.7704 15 V 4.9275 8.8689 124.3990 60.0013 34.8153 173.9602 16 A 4.8323 8.5448 128.5789 50.0783 21.5477 175.1971 17 I 4.8263 8.6318 123.7752 59.5604 39.7799 174.6874 18 T 4.7760 8.6831 117.7717 59.9430 70.8378 173.3776 19 I 5.2780 8.4245 126.3657 58.2141 40.7081 174.4203 20 A 5.0615 8.4286 127.6456 51.2232 19.2373 177.9653 21 R 4.4370 9.2902 119.4878 58.4911 30.2478 177.0034 22 F 4.6274 8.1645 121.3655 59.8637 39.7405 174.3144 23 N 4.6489 9.8646 123.9546 54.5567 35.5766 176.1793 24 Q 4.1895 8.3409 120.4000 59.3737 28.1031 177.7977 25 F 3.8982 8.4976 121.5865 61.1574 39.4130 176.4230 26 I 4.1980 8.1858 118.4969 63.7432 37.7782 177.7568 27 N 4.3633 8.2837 116.6398 56.3064 38.2727 176.8997 28 D 4.5831 8.7438 120.8078 57.6639 41.0227 178.8421 29 S 4.0666 7.9660 112.9239 61.0572 62.3885 175.4408 30 L 4.0612 7.7956 123.2401 58.6720 41.6575 178.3405 31 L 3.8742 8.3622 120.4963 57.6317 41.9394 178.6921 32 D 4.5032 8.5106 118.5795 57.2763 40.9323 179.7794 33 G 3.5749 8.1660 105.8205 47.7631 0.0000 175.3880 34 A 3.9342 7.8727 123.4355 54.6616 18.4931 179.3616 35 V 3.4334 7.9583 116.9204 66.2788 31.5899 177.3424 36 D 4.3118 8.2382 117.2474 57.7083 40.9627 177.7704 37 A 3.9254 8.2881 121.0282 55.8368 18.3846 179.0302 38 L 3.8736 8.5574 116.5149 59.3936 41.8748 179.7257 39 T 4.2334 8.3077 111.0938 63.8659 68.4873 176.0917 40 R 3.8735 8.2504 123.9109 58.2263 30.4120 178.3825 41 I 4.2612 7.7873 117.9444 63.3417 38.2548 177.6942 42 G 3.8357 7.8157 103.6550 44.1529 0.0000 173.8419 43 Q 3.6844 8.1030 120.8637 56.5741 28.1984 172.7484 44 V 3.9712 7.5052 116.5864 61.7793 32.2268 175.2083 45 K 4.1962 8.5778 128.9250 56.2611 32.5262 176.6697 46 D 4.6595 8.8162 124.1516 54.0983 39.0856 176.1852 47 D 4.7940 7.9739 117.2936 53.7436 40.2148 176.3297 48 N 4.7084 8.5333 117.7940 53.6879 39.3508 174.1160 49 I 4.9188 7.5905 120.2437 60.2913 38.3906 175.1916 50 T 4.7053 8.8824 117.5062 59.6950 71.8694 173.0284 51 V 4.6251 8.4028 123.6881 61.0556 34.0910 174.5176 52 V 4.3213 8.8588 128.4454 60.8332 33.7057 174.4068 53 W 4.8874 8.9925 128.9986 56.4523 29.6822 176.5133 54 V 4.3686 8.7439 119.1175 59.0364 33.7970 174.5976 55 P 4.3258 0.0000 0.0000 65.0504 31.3100 177.1513 56 G 4.4098 7.9615 108.2830 42.8552 0.0000 174.0910 57 A 4.0417 8.4881 120.5404 54.8778 18.0796 179.2436 58 Y 4.2330 8.1609 117.0353 60.6330 39.2542 177.3932 59 E 4.1226 8.1798 119.1488 57.9501 29.6268 178.5244 60 L 3.8925 7.5750 119.8586 58.1622 41.6489 177.0448 61 P 4.1660 0.0000 0.0000 64.9720 31.1484 177.9182 62 L 3.8132 7.7536 117.8448 58.5044 42.1796 179.4393 63 A 3.9785 7.8350 120.0829 55.5463 18.3375 179.8350 64 T 3.8422 8.1913 108.5604 64.4911 68.7131 176.3141 65 E 3.8418 8.8849 122.5483 59.1548 29.6616 178.2175 66 A 4.0078 7.9654 120.6686 55.6337 18.1731 179.5643 67 L 4.0963 7.5688 114.8514 57.9678 41.9924 179.5046 68 A 4.2304 8.3493 120.8167 55.1362 18.2146 179.8455 69 K 3.9443 8.2644 116.2944 59.5656 32.1244 179.0241 70 S 4.1933 8.1573 113.0279 59.3824 61.4723 175.9529 71 G 3.9545 8.5272 110.3699 46.4444 0.0000 176.1497 72 K 3.9061 7.7524 120.4744 56.3401 31.8437 182.1823 73 Y 5.1200 6.8964 114.0192 56.8394 40.5483 175.5244 74 D 4.7178 9.2494 122.2087 56.1208 41.8131 176.4433 75 A 4.5513 7.4093 117.2720 51.1786 22.5151 175.0750 76 V 4.7274 8.2687 120.1508 61.0421 34.5095 174.4871 77 V 4.3868 8.8502 128.2372 61.4757 33.4123 174.1276 78 A 4.9868 8.6722 130.0501 49.5980 20.9934 175.1421 79 L 5.2599 7.8978 123.2399 52.5897 44.4627 176.3421 80 G 4.2070 7.7353 108.4111 45.9234 0.0000 171.8747 81 T 5.0973 8.5345 116.1478 61.5026 72.0336 174.3052 82 V 4.2210 9.0322 125.3511 61.2937 34.0083 173.9185 83 I 4.7331 8.1886 128.6370 59.7524 38.5806 175.9788 84 R 3.6475 8.4612 127.7345 56.5175 30.2822 176.3463 85 G 4.4121 8.3392 116.2314 44.3091 0.0000 172.9863 86 G 3.6365 8.7815 107.6979 47.4909 0.0000 173.2725 87 T 4.5264 7.5911 108.3422 59.6804 71.5264 173.5595 88 A 4.4435 8.3680 121.3332 52.7195 18.9359 178.5392 89 H 4.2687 8.3411 119.3346 60.1448 29.7851 176.8212 90 F 4.0480 8.4877 121.8529 61.5698 39.0117 176.6347 91 E 3.6196 8.1294 118.4437 59.4979 29.3530 178.3540 92 Y 4.3345 7.3907 115.8661 60.6458 38.2627 177.5631 93 V 3.6614 7.6415 119.1329 65.8689 31.6075 177.7654 94 A 4.0713 7.7910 120.0641 55.2563 18.0960 179.6739 95 G 3.6140 8.1837 104.5142 47.8181 0.0000 176.0874 96 G 3.8633 8.6768 108.3468 45.8404 0.0000 174.9176 97 A 4.2410 7.8745 122.7903 54.4513 19.5414 179.1515 98 S 4.2001 8.2338 111.7575 61.8863 62.3676 176.2817 99 N 4.4268 8.4580 119.2719 56.1294 38.3260 177.2352 100 G 3.7672 7.7418 106.5897 48.1768 0.0000 175.3143 101 L 3.9952 8.1283 121.3466 57.2907 41.9345 179.7162 102 A 3.9963 8.0198 120.4555 55.0488 18.2510 179.6015 103 S 3.9569 8.3167 111.8045 61.5205 62.4796 176.1571 104 V 3.5518 7.7683 120.7185 66.2294 31.0764 177.6719 105 A 4.3788 7.8400 121.2972 54.8215 18.0125 179.4203 106 Q 3.8970 7.6772 116.2712 59.2359 29.1395 177.8033 107 D 4.5343 8.0370 119.3484 56.9377 41.2585 178.4713 108 S 4.3588 8.3018 113.0578 58.6857 63.4855 175.6211 109 G 3.8923 8.2586 109.7661 45.6515 0.0000 173.7354 110 V 3.9564 7.5256 121.0544 61.6403 33.0446 173.5952 111 P 4.5790 0.0000 0.0000 62.6638 32.4771 175.1534 112 V 4.8747 8.4117 123.7062 61.0215 33.9382 174.2289 113 A 4.4458 8.8926 130.4970 50.9189 20.3835 176.2502 114 F 4.5876 9.0076 126.8377 56.3235 38.4070 175.9244 115 G 3.9481 8.1532 118.6096 45.0312 0.0000 171.1575 116 V 4.5743 6.1980 117.7397 60.5470 33.7810 176.0486 117 L 4.2717 8.8407 129.6043 55.1621 42.8068 176.6696 118 T 4.9003 8.5081 112.7088 59.9301 69.0628 172.5401 119 T 4.6285 8.7418 120.9928 60.9692 72.0061 175.0084 120 E 4.1434 9.8567 120.6544 57.2350 30.5743 177.1761 121 S 4.7047 7.5876 111.9774 55.5830 67.6272 174.7946 122 I 3.6821 8.2287 123.1121 64.3081 36.5977 177.9740 123 E 3.9275 8.1964 118.9608 59.7478 29.7408 178.6725 124 Q 4.2848 8.1373 117.4523 58.7926 28.8857 178.4802 125 A 4.0182 7.7922 121.7851 55.4541 18.0376 179.7179 126 I 3.7588 7.8909 118.1273 64.6835 37.0985 178.5449 127 E 4.5652 8.0673 120.2743 58.1431 29.2495 178.4375 128 R 4.5281 7.8888 115.3948 55.7478 30.5094 176.7685 129 A 4.8294 7.1539 121.2419 52.7082 19.4532 177.0674 130 G 4.4551 7.9976 108.2030 48.1279 0.0000 175.4481 131 T 4.6180 7.5372 115.2738 60.0718 68.7891 175.7142 132 K 3.7784 9.2350 117.0939 59.3481 31.7503 177.7761 133 A 4.5719 7.7966 119.2158 52.0566 19.9767 179.0199 134 G 3.7485 8.2070 110.0164 47.5048 0.0000 174.1423 135 N 5.2457 8.2301 117.1564 50.8064 40.7102 175.4366 136 K 4.0111 9.0090 128.6218 58.9129 32.0997 179.0626 137 G 4.0482 8.2962 107.6174 47.3691 0.0000 175.6682 138 A 4.0333 7.8845 123.5343 54.3443 18.4335 179.2159 139 E 3.8426 8.4296 117.8499 59.3907 29.7329 178.9499 140 A 4.0548 8.5661 122.2525 54.3632 18.4045 179.3587 141 A 3.8905 8.2105 119.5662 55.3255 18.3811 179.8983 142 L 3.9056 8.0648 117.6430 58.2433 41.2643 179.8990 143 T 3.8400 8.1103 109.3743 64.6518 68.4359 176.0980 144 A 3.9768 7.9043 123.7837 55.0434 18.5002 179.0698 145 L 3.8773 7.8582 116.9021 58.1843 41.7787 179.2784 146 E 4.1781 8.3819 120.2968 59.0998 29.4314 178.9344 147 M 4.0409 8.0210 118.2662 58.4070 31.9219 178.4425 148 I 3.6973 7.7134 119.8864 64.8433 37.3437 178.1542 149 N 4.3208 7.9919 116.3066 56.2584 38.1633 177.5289 150 V 3.6066 7.9014 118.9549 66.1286 31.8045 177.9046 151 L 4.0802 8.3431 118.8347 57.7618 41.3829 179.0836 152 K 3.8484 8.1534 118.5556 59.6306 32.1125 177.4632 153 A 4.4373 8.2977 120.3559 51.7111 19.1766 177.2815 154 I 3.8772 7.7728 120.9393 63.1739 37.7471 173.9446 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 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.65 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.79 4.60 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.31 4.37 1.87 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 1.41 0.61 0.91 0.00 0.00 5 K 8.60 4.45 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.56 1.23 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 0.00 0.00 7 N 8.19 5.05 0.00 2.73 2.64 0.00 0.00 6.85 7.71 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 8 V 8.16 3.93 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 0.80 0.00 0.00 0.93 0.00 0.00 9 A 8.10 4.26 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 10 A 8.29 4.60 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 11 P 0.00 4.80 0.00 2.23 2.37 0.00 3.86 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 2.07 1.94 0.00 12 D 8.07 4.78 0.00 2.69 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 13 A 7.60 4.64 1.31 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 14 R 9.50 4.82 0.00 1.42 1.78 0.00 3.22 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.87 4.93 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 0.95 0.00 0.00 0.95 0.00 0.00 16 A 8.54 4.83 0.23 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 0.00 0.00 17 I 8.63 4.83 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.73 0.00 0.00 18 T 8.68 4.78 4.13 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 1.09 0.00 0.00 19 I 8.42 5.28 0.74 0.00 0.00 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 0.79 -0.07 0.46 0.00 0.00 20 A 8.43 5.06 1.28 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 21 R 9.29 4.44 0.00 2.09 2.51 0.00 2.86 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 22 F 8.16 4.63 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.86 4.65 0.00 2.96 2.99 0.00 0.00 6.88 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 24 Q 8.34 4.19 0.00 2.52 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.90 0.00 3.15 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 26 I 8.19 4.20 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.79 0.95 0.00 0.00 27 N 8.28 4.36 0.00 2.87 2.92 0.00 0.00 7.07 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 28 D 8.74 4.58 0.00 2.66 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 29 S 7.97 4.07 0.00 3.81 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 30 L 7.80 4.06 0.00 1.93 1.63 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.36 3.87 0.00 1.78 1.77 0.77 1.26 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 32 D 8.51 4.50 0.00 2.87 2.70 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 33 G 8.17 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 34 A 7.87 3.93 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 35 V 7.96 3.43 2.07 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 0.97 0.00 0.00 0.91 0.00 0.00 36 D 8.24 4.31 0.00 2.82 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 37 A 8.29 3.93 1.39 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 38 L 8.56 3.87 0.00 1.84 1.72 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.31 4.23 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 1.23 0.00 0.00 40 R 8.25 3.87 0.00 1.84 2.26 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 41 I 7.79 4.26 2.07 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 1.45 0.97 0.91 0.00 0.00 42 G 7.82 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 0.00 0.00 0.00 43 Q 8.10 3.68 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.51 3.97 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 0.87 0.00 0.00 1.02 0.00 0.00 45 K 8.58 4.20 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.82 4.66 0.00 2.83 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 47 D 7.97 4.79 0.00 2.78 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 48 N 8.53 4.71 0.00 2.87 2.99 0.00 0.00 6.92 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 49 I 7.59 4.92 1.88 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 1.40 0.52 0.88 0.00 0.00 50 T 8.88 4.71 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 1.49 0.00 0.00 51 V 8.40 4.63 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 0.48 0.00 0.00 0.83 0.00 0.00 52 V 8.86 4.32 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.89 0.00 3.20 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 54 V 8.74 4.37 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 0.84 0.00 0.00 1.09 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.96 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 0.00 0.00 0.00 0.00 57 A 8.49 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 58 Y 8.16 4.23 0.00 2.91 3.10 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 59 E 8.18 4.12 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 60 L 7.57 3.89 0.00 1.78 1.71 0.89 0.97 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 61 P 0.00 4.17 0.00 2.02 1.86 0.00 3.66 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 2.07 2.10 0.00 62 L 7.75 3.81 0.00 1.63 1.67 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.83 3.98 1.31 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 64 T 8.19 3.84 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 1.19 0.00 0.00 65 E 8.88 3.84 0.00 2.00 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 0.00 2.31 2.33 0.00 66 A 7.97 4.01 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 67 L 7.57 4.10 0.00 1.76 1.72 0.65 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.35 4.23 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 69 K 8.26 3.94 0.00 1.85 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.16 4.19 0.00 3.91 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 71 G 8.53 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 72 K 7.75 3.91 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.90 5.12 0.00 3.12 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 74 D 9.25 4.72 0.00 2.55 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 75 A 7.41 4.55 1.23 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 0.00 0.00 76 V 8.27 4.73 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 0.94 0.00 0.00 0.86 0.00 0.00 77 V 8.85 4.39 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.67 4.99 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 79 L 7.90 5.26 0.00 1.38 1.40 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.74 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 0.00 0.00 0.00 0.00 81 T 8.53 5.10 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 1.19 0.00 0.00 82 V 9.03 4.22 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 0.90 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.73 1.85 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 1.24 0.68 0.84 0.00 0.00 84 R 8.46 3.65 0.00 0.67 1.39 0.00 3.07 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.34 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 0.00 0.00 0.00 0.00 86 G 8.78 3.64 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 0.00 0.00 0.00 87 T 7.59 4.53 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 1.24 0.00 0.00 88 A 8.37 4.44 1.31 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 89 H 8.34 4.27 0.00 3.30 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.05 0.00 3.11 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 91 E 8.13 3.62 0.00 1.93 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 2.01 2.18 0.00 92 Y 7.39 4.33 0.00 2.98 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 93 V 7.64 3.66 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 1.04 0.00 0.00 0.74 0.00 0.00 94 A 7.79 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.18 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 96 G 8.68 3.86 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 0.00 0.00 0.00 97 A 7.87 4.24 1.51 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 0.00 0.00 98 S 8.23 4.20 0.00 3.74 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 99 N 8.46 4.43 0.00 2.81 2.83 0.00 0.00 6.95 7.27 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 0.00 100 G 7.74 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 0.00 0.00 0.00 101 L 8.13 4.00 0.00 1.90 1.83 1.01 0.90 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 0.00 102 A 8.02 4.00 1.30 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 0.00 0.00 103 S 8.32 3.96 0.00 3.97 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 0.00 104 V 7.77 3.55 2.24 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 1.03 0.00 0.00 0.92 0.00 0.00 105 A 7.84 4.38 1.42 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 0.00 106 Q 7.68 3.90 0.00 2.09 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.04 4.53 0.00 2.70 2.70 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 0.00 108 S 8.30 4.36 0.00 4.03 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 0.00 109 G 8.26 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 0.00 0.00 0.00 110 V 7.53 3.96 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 0.96 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.58 0.00 2.12 1.97 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.41 4.87 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 0.81 0.00 0.00 0.98 0.00 0.00 113 A 8.89 4.45 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 0.00 114 F 9.01 4.59 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 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 0.00 116 V 6.20 4.57 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 0.68 0.00 0.00 -0.11 0.00 0.00 117 L 8.84 4.27 0.00 1.60 1.58 0.93 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.51 4.90 4.45 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 1.23 0.00 0.00 119 T 8.74 4.63 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 1.23 0.00 0.00 120 E 9.86 4.14 0.00 1.96 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 0.00 2.30 2.30 0.00 121 S 7.59 4.70 0.00 3.95 3.86 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 0.00 122 I 8.23 3.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.87 0.00 0.00 123 E 8.20 3.93 0.00 1.93 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 0.00 2.30 2.49 0.00 124 Q 8.14 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.79 4.02 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 0.00 126 I 7.89 3.76 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.19 0.99 0.00 0.00 127 E 8.07 4.57 0.00 2.30 2.01 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 2.34 2.40 0.00 128 R 7.89 4.53 0.00 1.89 1.94 0.00 3.12 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.15 4.83 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 0.00 130 G 8.00 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 0.00 131 T 7.54 4.62 4.25 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 1.26 0.00 0.00 132 K 9.24 3.78 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.80 4.57 1.31 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 0.00 134 G 8.21 3.75 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 0.00 135 N 8.23 5.25 0.00 2.69 2.65 0.00 0.00 6.93 6.93 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 0.00 136 K 9.01 4.01 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.30 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 0.00 0.00 0.00 138 A 7.88 4.03 1.39 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 0.00 139 E 8.43 3.84 0.00 2.04 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 0.00 2.31 2.33 0.00 140 A 8.57 4.05 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 0.00 141 A 8.21 3.89 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 0.00 142 L 8.06 3.91 0.00 1.99 1.72 0.91 0.50 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 0.00 143 T 8.11 3.84 4.25 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 1.25 0.00 0.00 144 A 7.90 3.98 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 0.00 145 L 7.86 3.88 0.00 1.86 1.90 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.38 4.18 0.00 2.01 1.97 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 2.32 2.24 0.00 147 M 8.02 4.04 0.00 2.09 2.38 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.91 0.00 148 I 7.71 3.70 2.04 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 1.68 0.93 0.92 0.00 0.00 149 N 7.99 4.32 0.00 2.96 2.86 0.00 0.00 6.73 8.12 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 0.00 150 V 7.90 3.61 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 0.83 0.00 0.00 0.94 0.00 0.00 151 L 8.34 4.08 0.00 1.95 1.69 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.15 3.85 0.00 1.83 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.30 4.44 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 0.00 154 I 7.77 3.88 1.87 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 1.16 0.73 0.91 0.00 0.00