NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4113 8.2893 120.3486 55.3707 33.1155 174.7254 2 N 4.6663 8.5850 124.0075 51.4509 38.9443 172.9879 3 I 4.6162 8.7852 121.0361 59.5944 41.9850 176.2168 4 I 4.4026 8.3326 123.7769 59.5901 38.7218 175.1342 5 K 4.4744 8.6293 124.7077 54.3910 34.1970 176.0251 6 A 4.6165 8.3780 125.9925 50.6711 21.3744 175.0224 7 N 5.0451 8.1719 116.8000 51.9486 41.5079 175.6693 8 V 3.9192 8.1091 114.1109 62.6042 32.3344 176.3493 9 A 4.2008 8.0579 123.6590 52.0781 18.7506 177.9720 10 A 4.6210 8.2463 122.0001 51.2862 21.4295 174.1552 11 P 4.7589 0.0000 0.0000 64.6621 32.2203 178.6882 12 D 4.7246 8.0803 116.3065 54.2246 40.6194 175.7687 13 A 4.6520 7.5578 125.0678 51.7682 20.3517 178.2504 14 R 4.8307 9.4658 120.7277 55.0900 32.6858 175.8658 15 V 4.9398 8.8693 124.3260 60.0074 34.7417 173.9429 16 A 4.8751 8.4978 128.6282 50.1002 21.5093 175.2361 17 I 4.7733 8.7071 123.7346 59.6041 39.4956 174.6808 18 T 4.8043 8.6566 118.0734 59.9795 70.7825 173.5072 19 I 5.1661 8.2642 126.3434 58.1972 40.6679 174.4585 20 A 5.0145 8.4490 127.8934 51.3308 19.0412 177.9809 21 R 4.4321 9.2759 119.8609 58.4911 30.2332 176.9639 22 F 4.6681 8.1855 121.5223 59.8251 39.6859 174.3493 23 N 4.6608 9.8569 123.9260 54.4527 35.5904 176.0437 24 Q 4.1646 8.3605 120.4306 59.5257 28.0302 178.0948 25 F 3.8611 8.5152 121.4253 60.9965 39.4216 176.3604 26 I 4.2349 8.2919 118.8449 63.6855 37.2529 177.7123 27 N 4.3714 8.2966 116.5929 56.3150 38.2639 176.9832 28 D 4.4913 8.7958 120.9244 57.5839 40.9997 178.7461 29 S 4.0591 7.9664 113.0211 61.0781 62.3898 175.3411 30 L 4.0422 7.9229 123.2081 58.7585 41.6039 178.4214 31 L 3.8750 8.2647 120.2773 57.6094 42.0092 178.5091 32 D 4.5054 8.4575 118.6212 57.4007 40.9517 179.7197 33 G 3.6122 8.1360 105.6972 47.7975 0.0000 175.3058 34 A 3.9224 7.8138 123.3680 54.6738 18.4371 179.3203 35 V 3.4382 7.9277 116.7574 66.3504 31.5747 177.2466 36 D 4.3086 8.1616 117.1147 57.6996 40.9471 177.8972 37 A 3.9382 8.3152 121.0096 55.7060 18.3844 179.0761 38 L 3.9016 8.4493 116.9431 59.1527 41.8256 179.7377 39 T 4.2122 8.2473 111.1587 63.8977 68.5575 176.2080 40 R 3.8549 8.2113 123.9068 58.3524 30.6539 178.1023 41 I 4.0573 7.9761 117.1559 63.6291 37.7430 177.1928 42 G 3.7786 7.9446 106.5133 45.2557 0.0000 174.1729 43 Q 3.7115 8.2841 117.9737 56.4501 26.7166 173.2233 44 V 3.9214 7.5240 118.9405 62.3262 32.2266 175.2794 45 K 4.2668 8.5738 128.8988 56.2812 32.5505 176.5905 46 D 4.7464 8.8065 124.4064 53.9919 39.1353 176.2026 47 D 4.7974 7.9633 117.2232 53.7572 40.2389 176.3241 48 N 4.6922 8.6449 117.7209 53.7288 39.2672 174.1019 49 I 4.9553 7.5855 120.2878 60.2277 38.4612 175.1740 50 T 4.7058 8.8612 117.4228 59.7019 71.8744 173.0044 51 V 4.5979 8.4150 123.8145 61.0640 34.0401 174.5619 52 V 4.2968 8.9969 129.0061 60.7788 33.6668 174.5648 53 W 4.8420 8.9755 129.1521 56.6260 29.5214 176.5117 54 V 4.3557 8.7409 119.2962 59.0927 33.6667 174.7840 55 P 4.3149 0.0000 0.0000 65.0637 31.3209 176.9798 56 G 4.4566 7.9583 108.3558 42.7362 0.0000 174.1009 57 A 4.0555 8.5081 120.7016 54.9517 18.0569 179.2673 58 Y 4.2140 8.1795 117.0538 60.7280 39.1291 177.5091 59 E 4.1175 8.2387 119.1720 58.0895 29.6071 178.6070 60 L 3.8677 7.5232 119.4103 58.0559 41.6073 177.1567 61 P 4.1807 0.0000 0.0000 64.9812 31.2011 177.8984 62 L 3.8921 7.7723 117.9082 58.4965 42.1874 179.1802 63 A 3.9788 7.8574 120.3238 55.6622 18.3609 179.8527 64 T 3.8353 8.2184 108.3305 64.4423 68.7378 176.1776 65 E 3.8477 8.9013 123.0668 59.2200 29.5943 178.2966 66 A 4.0096 7.9505 120.5627 55.6186 18.1792 179.6120 67 L 4.0765 7.5870 114.8413 57.8680 41.9175 179.5062 68 A 4.2173 8.2523 120.7356 55.1661 18.2384 179.7615 69 K 3.8802 8.2221 116.2001 59.6907 32.1575 178.8509 70 S 4.1913 8.1307 112.8726 59.5624 61.3516 176.0221 71 G 3.9456 8.5686 110.0893 46.4191 0.0000 176.0638 72 K 3.9140 7.6991 120.1547 56.2893 31.8755 182.1351 73 Y 5.1085 6.9800 113.8738 56.9075 40.6285 175.3993 74 D 4.7580 9.1139 121.8176 55.9561 41.9471 176.4999 75 A 4.5886 7.4639 117.2193 51.1132 22.5882 175.0784 76 V 4.7425 8.3753 120.2311 61.0360 34.4860 174.5265 77 V 4.3203 8.7348 128.4218 61.6114 33.3530 174.2152 78 A 4.9518 8.5291 130.3172 49.6958 20.8181 175.1192 79 L 5.3384 8.1239 123.2312 52.7062 44.4084 176.4356 80 G 4.2059 7.6531 108.5078 46.0278 0.0000 171.8117 81 T 5.0857 8.5509 116.0868 61.5013 71.8960 174.3369 82 V 4.2178 9.0734 125.2735 61.3410 34.0649 173.8855 83 I 4.7350 8.1797 128.6534 59.5628 38.6847 176.0076 84 R 3.6905 8.4650 127.6096 56.5834 30.3659 176.3848 85 G 4.4392 8.3238 115.6023 44.2240 0.0000 172.8951 86 G 3.6426 8.7843 107.5772 47.4887 0.0000 173.4174 87 T 4.5274 7.5856 108.3087 59.6754 71.5957 173.5171 88 A 4.4593 8.3711 121.3519 52.7908 18.6899 178.7690 89 H 4.2954 8.3024 120.6261 60.2447 29.7751 176.9193 90 F 4.0076 8.4744 122.0588 61.5450 39.0172 176.5900 91 E 3.6185 7.9392 118.1346 59.5828 29.3005 178.4026 92 Y 4.3107 7.3965 115.8563 60.8303 38.2573 177.4192 93 V 3.6705 7.7140 119.3568 65.8630 31.5469 177.7439 94 A 4.0775 7.8599 120.1175 55.2579 18.1220 179.6666 95 G 3.6181 8.1635 104.5947 47.7919 0.0000 176.0349 96 G 3.8751 8.7308 108.3201 45.7981 0.0000 174.7689 97 A 4.2792 7.8590 122.6536 54.2831 19.6982 179.1704 98 S 4.1256 8.2595 111.8028 61.8364 62.3913 176.2474 99 N 4.4374 8.4711 119.3702 55.9218 38.3108 177.4147 100 G 3.7347 7.7156 106.4473 48.0407 0.0000 175.4882 101 L 3.9895 7.9368 121.6687 57.2851 41.8394 179.5678 102 A 3.9965 7.9838 120.5923 55.1043 18.2617 179.5985 103 S 3.9454 8.3195 111.7342 61.5058 62.4676 176.1268 104 V 3.5412 7.8128 120.7603 66.2387 31.1046 177.6097 105 A 4.3235 7.7893 121.0786 54.7958 18.0064 179.4068 106 Q 3.8898 7.6805 116.2293 59.2242 29.1231 177.8955 107 D 4.5280 7.9772 119.3310 57.0469 41.2798 178.5281 108 S 4.3371 8.3512 112.8802 58.7543 63.4379 175.6802 109 G 3.9080 8.1590 109.4848 45.7848 0.0000 173.8922 110 V 3.9269 7.5932 121.0743 61.8238 32.9262 173.6017 111 P 4.5327 0.0000 0.0000 62.5666 32.5656 175.1830 112 V 4.8363 8.3884 123.2702 61.0318 34.1568 174.2077 113 A 4.4754 8.8702 130.2746 50.7729 20.4663 176.3011 114 F 4.8222 8.9992 126.9466 56.3378 38.2216 175.8475 115 G 3.9596 8.0653 117.5906 44.8926 0.0000 170.9648 116 V 4.5587 6.0804 117.6807 60.5830 33.7813 176.0713 117 L 4.2618 8.7758 129.5243 55.1174 42.7657 176.6235 118 T 5.4488 8.7449 112.7809 58.7622 68.9083 172.6554 119 T 4.5974 8.1701 120.9398 61.0239 72.0394 175.0886 120 E 4.1257 9.7446 120.6175 57.3340 30.5035 177.2795 121 S 4.6989 7.5821 112.0608 55.5964 67.5936 174.7919 122 I 3.6903 8.2421 123.2873 64.2947 36.7695 177.9707 123 E 3.9271 8.2507 119.8317 59.7676 29.1108 178.9948 124 Q 4.1510 7.8506 115.9604 58.8119 29.1826 178.2394 125 A 4.1628 7.8379 121.4814 55.4096 18.3311 179.6940 126 I 3.7554 7.9212 118.1787 64.6985 37.1161 178.5392 127 E 4.5388 8.0105 120.3660 58.2534 29.2879 178.5069 128 R 4.5012 7.8885 115.4022 55.8240 30.4458 176.8561 129 A 4.8199 7.2387 122.0046 52.6406 19.5126 177.0438 130 G 4.4591 8.1023 107.9289 48.1015 0.0000 175.3223 131 T 4.5819 7.5320 115.1898 60.0237 68.9324 175.8210 132 K 3.8199 9.1322 117.1427 59.3484 31.8120 177.8665 133 A 4.5664 7.7893 119.2556 52.0400 19.9308 178.9285 134 G 3.7496 8.2192 110.6813 47.2437 0.0000 173.7482 135 N 5.2612 8.2431 117.8482 50.9513 41.0359 175.6522 136 K 4.0289 8.9419 129.0382 59.1932 32.0661 178.9547 137 G 4.0882 8.3514 107.4405 47.3018 0.0000 175.4969 138 A 4.0377 7.8806 123.1281 54.3391 18.4660 179.2646 139 E 3.8532 8.4395 117.7896 59.3710 29.7737 178.9172 140 A 4.0455 8.6550 122.4125 54.4065 18.4027 179.3128 141 A 3.9160 8.1562 119.4501 55.3599 18.3705 179.9131 142 L 3.9128 8.0196 117.5434 58.2329 41.4214 179.9478 143 T 3.8530 8.1175 109.3014 64.4822 68.4834 176.2137 144 A 3.9987 7.9576 123.9325 55.0577 18.4026 179.1711 145 L 3.8899 7.8671 117.0264 58.1133 41.7987 179.2376 146 E 4.1602 8.3371 120.4728 59.0075 29.4683 178.8573 147 M 4.0193 7.9849 118.1625 58.5119 31.9693 178.3990 148 I 3.6701 7.7463 119.8407 64.9410 37.2739 178.1346 149 N 4.3278 7.9965 116.4403 56.2052 38.1459 177.5961 150 V 3.5776 7.9716 119.1730 66.0703 31.8568 177.9209 151 L 4.0805 8.5130 118.9212 57.7669 41.3806 179.1558 152 K 3.9139 8.1050 118.4910 59.6157 32.1328 177.4335 153 A 4.4451 8.1147 119.9659 51.7092 19.1323 177.2842 154 I 3.8978 7.7199 120.8115 63.1696 37.7115 174.0031 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 8.58 4.67 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 4.62 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 8.33 4.40 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 8.63 4.47 0.00 1.71 1.70 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 4.62 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 8.17 5.05 0.00 2.73 2.64 0.00 0.00 6.87 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 8.11 3.92 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.06 4.20 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 8.25 4.62 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 4.76 0.00 2.23 2.38 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 8.08 4.72 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 7.56 4.65 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 14 R 9.47 4.83 0.00 1.42 1.78 0.00 3.21 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 4.94 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 0.90 0.00 0.00 0.95 0.00 0.00 16 A 8.50 4.88 0.24 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 17 I 8.71 4.77 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 0.87 0.69 0.00 0.00 18 T 8.66 4.80 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 8.26 5.17 0.76 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.07 0.45 0.00 0.00 20 A 8.45 5.01 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 21 R 9.28 4.43 0.00 2.08 2.50 0.00 2.86 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.19 4.67 0.00 3.16 2.99 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 23 N 9.86 4.66 0.00 2.96 2.99 0.00 0.00 6.87 7.74 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 24 Q 8.36 4.16 0.00 2.51 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.52 3.86 0.00 3.13 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 26 I 8.29 4.23 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.99 0.95 0.00 0.00 27 N 8.30 4.37 0.00 2.88 2.93 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 8.80 4.49 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 4.06 0.00 3.82 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 7.92 4.04 0.00 1.92 1.64 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.26 3.87 0.00 1.80 1.79 0.76 1.41 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 8.46 4.51 0.00 2.86 2.71 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 33 G 8.14 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 34 A 7.81 3.92 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 35 V 7.93 3.44 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 0.95 0.00 0.00 36 D 8.16 4.31 0.00 2.83 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 37 A 8.32 3.94 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 8.45 3.90 0.00 1.84 1.74 0.89 0.67 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 8.25 4.21 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 1.28 0.00 0.00 40 R 8.21 3.85 0.00 1.80 2.23 0.00 3.24 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 41 I 7.98 4.06 2.08 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 1.23 0.96 0.91 0.00 0.00 42 G 7.94 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 43 Q 8.28 3.71 0.00 2.36 2.21 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 2.27 2.32 0.00 44 V 7.52 3.92 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 0.98 0.00 0.00 0.99 0.00 0.00 45 K 8.57 4.27 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 8.81 4.75 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 7.96 4.80 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 8.64 4.69 0.00 2.86 2.98 0.00 0.00 6.91 7.30 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 49 I 7.59 4.96 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 0.53 0.89 0.00 0.00 50 T 8.86 4.71 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 1.49 0.00 0.00 51 V 8.42 4.60 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 0.47 0.00 0.00 0.83 0.00 0.00 52 V 9.00 4.30 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.84 0.00 3.21 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 54 V 8.74 4.36 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 1.08 0.00 0.00 55 P 0.00 4.31 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 4.46 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 57 A 8.51 4.06 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 58 Y 8.18 4.21 0.00 2.93 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 8.24 4.12 0.00 2.00 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 2.65 2.58 0.00 60 L 7.52 3.87 0.00 1.78 1.71 0.89 0.75 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 61 P 0.00 4.18 0.00 2.03 1.87 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 2.06 2.10 0.00 62 L 7.77 3.89 0.00 1.63 1.67 0.91 0.98 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 63 A 7.86 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 64 T 8.22 3.84 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 1.22 0.00 0.00 65 E 8.90 3.85 0.00 1.99 2.18 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 2.31 2.34 0.00 66 A 7.95 4.01 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 67 L 7.59 4.08 0.00 1.75 1.65 0.63 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.25 4.22 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 69 K 8.22 3.88 0.00 1.85 1.91 0.00 1.76 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 1.64 1.61 7.81 70 S 8.13 4.19 0.00 3.92 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 0.00 71 G 8.57 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 7.70 3.91 0.00 1.83 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.98 5.11 0.00 3.09 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 9.11 4.76 0.00 2.54 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 7.46 4.59 1.19 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 76 V 8.38 4.74 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 0.98 0.00 0.00 0.85 0.00 0.00 77 V 8.73 4.32 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.53 4.95 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 79 L 8.12 5.34 0.00 1.52 1.40 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.65 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 8.55 5.09 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 1.19 0.00 0.00 82 V 9.07 4.22 2.05 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 0.87 0.00 0.00 0.87 0.00 0.00 83 I 8.18 4.74 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 0.69 0.88 0.00 0.00 84 R 8.46 3.69 0.00 0.67 1.38 0.00 3.05 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.32 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 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 4.46 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 89 H 8.30 4.30 0.00 3.23 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.47 4.01 0.00 3.11 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 91 E 7.94 3.62 0.00 1.97 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 2.02 2.19 0.00 92 Y 7.40 4.31 0.00 2.97 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 7.71 3.67 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 1.05 0.00 0.00 0.78 0.00 0.00 94 A 7.86 4.08 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 95 G 8.16 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.73 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 0.00 0.00 0.00 97 A 7.86 4.28 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 98 S 8.26 4.13 0.00 3.71 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 99 N 8.47 4.44 0.00 2.80 2.83 0.00 0.00 6.95 7.59 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 0.00 100 G 7.72 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 0.00 101 L 7.94 3.99 0.00 1.90 1.82 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.98 4.00 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 0.00 103 S 8.32 3.95 0.00 3.96 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 0.00 104 V 7.81 3.54 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 1.04 0.00 0.00 0.98 0.00 0.00 105 A 7.79 4.32 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 0.00 106 Q 7.68 3.89 0.00 2.09 2.37 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 2.40 0.00 107 D 7.98 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 8.35 4.34 0.00 4.02 4.06 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 0.00 109 G 8.16 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 0.00 0.00 0.00 110 V 7.59 3.93 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 1.00 0.00 0.00 111 P 0.00 4.53 0.00 2.12 1.96 0.00 3.79 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 2.09 0.00 112 V 8.39 4.84 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 0.86 0.00 0.00 1.00 0.00 0.00 113 A 8.87 4.48 1.27 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 0.00 0.00 114 F 9.00 4.82 0.00 3.01 3.01 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 0.00 115 G 8.07 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 0.00 116 V 6.08 4.56 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 0.68 0.00 0.00 -0.07 0.00 0.00 117 L 8.78 4.26 0.00 1.61 1.58 0.93 0.42 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 0.00 118 T 8.74 5.45 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 1.24 0.00 0.00 119 T 8.17 4.60 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 1.27 0.00 0.00 120 E 9.74 4.13 0.00 1.95 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 7.58 4.70 0.00 3.95 3.85 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 0.00 122 I 8.24 3.69 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 0.86 0.00 0.00 123 E 8.25 3.93 0.00 2.06 1.96 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 2.38 2.49 0.00 124 Q 7.85 4.15 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.84 4.16 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 0.00 126 I 7.92 3.76 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.11 0.99 0.00 0.00 127 E 8.01 4.54 0.00 2.23 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 2.39 0.00 128 R 7.89 4.50 0.00 1.90 1.95 0.00 3.11 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 1.59 1.63 0.00 129 A 7.24 4.82 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 8.10 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 7.53 4.58 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 1.23 0.00 0.00 132 K 9.13 3.82 0.00 1.77 1.97 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.79 4.57 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 0.00 134 G 8.22 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 8.24 5.26 0.00 2.70 2.65 0.00 0.00 6.93 6.97 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 0.00 136 K 8.94 4.03 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.35 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 0.00 0.00 0.00 138 A 7.88 4.04 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 0.00 139 E 8.44 3.85 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 8.66 4.05 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 0.00 141 A 8.16 3.92 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 8.02 3.91 0.00 2.00 1.72 0.91 0.52 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 0.00 143 T 8.12 3.85 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 1.27 0.00 0.00 144 A 7.96 4.00 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 0.00 145 L 7.87 3.89 0.00 1.86 1.88 0.97 0.89 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 0.00 146 E 8.34 4.16 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 7.98 4.02 0.00 2.10 2.37 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 2.90 0.00 148 I 7.75 3.67 2.06 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 0.90 0.92 0.00 0.00 149 N 8.00 4.33 0.00 2.92 2.86 0.00 0.00 6.74 8.96 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 0.00 150 V 7.97 3.58 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 1.01 0.00 0.00 151 L 8.51 4.08 0.00 1.92 1.69 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.10 3.91 0.00 1.83 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.11 4.45 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 7.72 3.90 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 0.70 0.91 0.00 0.00