NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4190 8.3044 120.3283 54.6907 33.4597 174.4898 2 E 3.8263 8.3276 121.1063 55.0731 30.2331 174.7745 3 A 4.0848 9.2841 129.2639 52.8677 19.9549 177.2823 4 L 4.0239 8.5312 121.5777 56.7562 42.0433 178.7733 5 G 3.9117 9.9419 103.9967 44.7149 0.0000 172.3430 6 A 4.6635 7.3060 117.1526 50.7061 22.2616 176.4792 7 D 4.6237 9.0618 122.7234 53.7254 42.2742 175.6012 8 V 4.5519 8.4262 123.5363 61.4221 33.6954 174.9658 9 T 4.4265 7.8345 123.1951 61.8578 69.0600 174.6030 10 Q 3.9165 8.8271 125.9217 56.9737 28.8139 177.5158 11 G 4.0088 9.0722 110.1939 46.2520 0.0000 172.6806 12 L 5.0632 8.4889 120.5689 52.9754 45.9790 174.8982 13 E 5.1049 8.6387 118.5269 54.1941 34.7568 175.1859 14 K 4.0791 8.2488 122.3347 58.1090 32.2857 176.8804 15 G 4.0754 9.0780 115.2792 45.1956 0.0000 174.0190 16 S 4.2994 8.2139 116.5111 58.6873 64.2094 173.3335 17 L 5.1178 8.4481 123.2504 53.2585 43.1175 175.6533 18 I 4.6200 8.6250 117.3320 59.0432 41.5486 174.4743 19 T 4.4661 8.7134 119.0395 63.1527 69.9925 174.4275 20 C 4.7164 8.3942 126.4467 57.3138 31.4067 173.9882 21 A 4.5152 8.3010 133.6794 50.0121 15.8187 174.6773 22 D 5.2724 7.5428 119.1649 53.6098 41.3156 175.9623 23 N 5.0010 8.3247 115.4501 52.9594 37.5875 176.7714 24 T 3.9073 7.8975 111.4518 64.0252 69.1580 174.9542 25 G 3.9359 7.5662 109.2307 45.0698 0.0000 172.8179 26 A 4.8058 7.4332 122.8357 51.0865 20.2874 176.8219 27 R 4.3693 9.2017 122.8145 57.6288 32.0468 176.2664 28 E 5.0775 7.9479 119.0037 54.2082 32.7409 174.4098 29 L 5.2132 8.7615 125.8090 52.7644 45.5180 175.1380 30 K 4.9156 8.7124 123.5869 54.3498 34.8918 175.3538 31 V 3.9229 8.7589 128.7050 63.5487 31.9915 175.5086 32 I 4.2227 8.6337 127.8418 62.6983 39.1037 175.9862 33 S 4.7419 7.8126 115.3764 56.9297 68.1453 173.0365 34 V 4.5899 8.2169 121.0155 61.0434 33.6928 174.3868 35 H 4.1178 8.8476 128.3586 58.0895 29.9119 175.2161 36 G 3.8598 8.7033 113.6961 45.9496 0.0000 172.1569 37 Y 4.5732 7.7290 120.2758 56.0226 40.0523 175.0961 38 S 4.2596 7.1906 119.8112 56.6605 65.7827 173.3573 39 G 3.9902 8.0322 125.4324 45.5865 0.0000 172.5620 40 T 4.5707 8.1043 117.0965 59.6880 70.6100 172.8421 41 K 3.9851 8.4451 125.8217 58.3772 32.2857 176.7510 42 N 4.6388 9.0206 122.3161 53.3443 37.0674 174.4949 43 R 4.1587 7.6233 118.7555 55.8706 30.7530 175.4005 44 H 4.5175 8.7200 122.9732 54.4519 29.6030 173.0564 45 P 4.6015 0.0000 0.0000 63.4388 31.7607 175.5998 46 K 4.8049 8.1154 123.7278 55.7725 34.5561 175.8819 47 A 4.6134 8.9053 122.9728 50.6052 23.1402 175.4512 48 G 4.2325 9.1807 106.8332 44.3982 0.0000 171.5010 49 L 4.1173 8.8161 122.2603 56.9340 42.0896 177.5395 50 G 4.0955 9.0583 114.5348 45.1108 0.0000 172.7682 51 D 4.9200 7.9297 119.9255 53.0652 43.2672 175.3073 52 K 4.8147 8.6310 123.2455 55.2371 33.8527 175.2514 53 I 5.0888 8.7393 120.7662 59.3522 41.3829 174.6288 54 T 4.6576 8.8354 120.4237 63.1743 70.1010 174.1590 55 V 5.0780 8.8939 124.1033 61.4622 35.7940 173.5132 56 S 5.2274 8.7966 119.6496 56.4164 66.2044 173.1995 57 V 4.1733 8.3946 123.0961 63.2576 31.7616 176.3650 58 T 4.1178 8.9752 125.8311 65.6622 69.2210 175.5173 59 K 4.5673 9.1295 119.8450 53.8723 35.9580 177.1075 60 G 3.8103 8.4196 109.8783 44.9969 0.0000 172.2881 61 T 4.0638 7.6944 109.9982 60.8170 69.3651 173.3767 62 P 4.2597 0.0000 0.0000 66.1358 31.3532 178.4581 63 E 4.1026 8.0672 115.6672 59.6054 29.6590 178.7318 64 M 4.1648 7.5998 118.2029 56.7949 32.4617 176.9307 65 R 3.8976 7.7157 118.0564 58.1392 30.5333 176.6481 66 R 3.9998 8.6312 121.4850 56.5509 28.9129 176.4859 67 Q 4.3151 7.6479 117.4822 55.4080 30.5217 175.3365 68 V 4.6500 8.2735 122.2588 61.6039 32.5164 174.5824 69 L 4.9518 8.8763 127.4887 52.9896 46.5398 175.8721 70 E 4.9289 8.5509 118.9486 56.1010 31.7689 175.1211 71 A 4.9116 8.5918 121.9587 51.1970 23.7775 175.1858 72 V 4.4717 8.2951 118.8994 60.7431 34.5469 174.8593 73 V 3.8705 8.5857 128.5809 63.3517 31.4193 176.1801 74 V 3.9332 8.9145 128.9195 64.2787 33.2537 175.8261 75 R 4.1620 7.4349 117.2510 54.2417 34.7418 174.2980 76 Q 4.9478 8.0557 118.0534 55.0569 31.7030 175.9308 77 R 4.2902 9.1745 120.2161 58.4950 30.4703 177.7573 78 K 4.2000 7.8892 118.9619 55.4997 31.3880 175.3679 79 P 4.9089 0.0000 0.0000 62.9844 32.8249 175.0738 80 I 4.8672 8.6227 114.8218 59.1799 41.3610 173.9400 81 R 5.0240 9.1078 124.3495 54.9737 31.9809 175.5936 82 R 4.6612 8.7171 125.3434 54.3801 31.7389 175.7130 83 P 4.2594 0.0000 0.0000 65.9735 31.4060 176.9748 84 D 4.6297 8.0896 114.8449 53.0867 39.4056 177.1225 85 G 4.0927 8.6242 110.4513 46.2536 0.0000 174.8562 86 T 4.0522 7.5307 116.6193 63.9119 69.4489 174.0568 87 R 5.0177 8.4326 123.5793 55.2284 32.4011 175.9678 88 V 4.5520 8.5036 120.7727 61.1889 35.0506 174.2857 89 K 5.0423 8.3172 124.9022 55.5483 35.7075 175.0508 90 F 4.7857 8.7863 119.6644 55.4978 41.7366 176.6766 91 E 4.1006 9.0238 120.8576 59.0730 29.7535 175.3565 92 D 4.7232 7.7145 115.3824 52.7070 42.3642 173.4226 93 N 5.2639 8.7853 114.8860 51.8815 41.0594 174.0365 94 A 5.2415 8.9789 124.4510 50.5704 23.4522 174.5220 95 A 4.9808 9.1191 120.4161 50.3451 23.4747 175.2284 96 V 4.5899 8.2325 119.7297 60.7831 34.1421 175.2812 97 I 4.2152 8.3826 128.7874 61.5475 38.0212 175.2966 98 V 4.8820 8.4696 125.6463 61.3435 35.1481 174.8020 99 D 4.8833 8.2315 124.1298 51.6424 41.7798 176.3901 100 E 3.9263 8.7715 118.4599 59.3094 29.6014 177.7257 101 N 4.7596 8.3903 113.6412 52.6176 38.7243 174.5934 102 E 3.7739 8.0433 115.5478 57.2877 27.8364 173.7328 103 D 5.3123 8.6228 119.0698 51.0674 42.2747 174.5359 104 P 4.7129 0.0000 0.0000 63.1211 31.6814 176.5401 105 R 3.9482 8.6567 122.3091 59.0037 30.3416 176.9262 106 G 4.0071 7.6821 105.3174 45.0286 0.0000 172.0448 107 T 4.4526 8.6967 114.2397 63.7557 70.6311 174.8440 108 E 4.7836 8.0610 119.4782 54.3960 33.4255 175.0741 109 L 4.9206 8.5724 123.1020 53.5152 43.5735 175.9239 110 K 4.4896 8.1976 121.1557 55.6070 34.4073 177.2511 111 G 3.9440 8.8623 112.7949 43.8265 0.0000 170.8196 112 P 4.8929 0.0000 0.0000 62.8986 32.6067 175.3680 113 I 4.7168 8.2751 118.7030 59.5916 42.2313 174.6349 114 A 4.8976 8.1337 127.1038 51.5745 19.2085 179.1532 115 R 3.9506 9.0162 119.9314 59.5555 29.4280 179.3531 116 E 4.0102 8.1728 118.8867 59.0607 29.4927 179.2513 117 V 3.6406 7.8877 118.1255 65.9263 31.4454 177.7282 118 A 4.0370 8.0748 118.8443 55.4734 18.2004 178.9452 119 Q 4.0164 7.7873 116.5812 59.1813 29.2095 178.1444 120 R 3.9217 7.5723 118.3099 57.9672 31.4058 176.8289 121 F 4.7783 8.4087 120.6393 54.7672 38.8195 175.9251 122 G 3.8354 8.6163 112.1509 47.9875 0.0000 172.4694 123 S 4.4278 8.0730 117.7583 60.4216 62.7622 176.5615 124 V 3.5869 7.8037 120.6400 65.5447 31.6600 177.4156 125 A 4.1873 8.0162 120.8755 54.8577 19.0449 179.5533 126 S 4.5488 8.4465 113.5778 57.4474 61.3241 174.6861 127 A 4.4405 7.3838 121.0054 53.6017 24.7532 176.9308 128 A 4.2080 8.2702 120.7704 52.1795 18.9789 177.7448 129 T 4.0554 8.7541 120.6832 66.4370 69.0025 174.6832 130 M 4.7965 7.9057 120.1684 53.4659 35.3305 174.8548 131 I 4.8325 8.3814 123.1227 59.5579 40.1508 175.5746 132 V 3.9643 8.7668 126.9847 62.8697 31.5267 175.6343 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 8.30 4.42 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 2 E 8.33 3.83 0.00 1.94 1.74 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 2.24 2.33 0.00 3 A 9.28 4.08 1.24 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 4 L 8.53 4.02 0.00 1.65 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.31 4.66 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 7 D 9.06 4.62 0.00 2.65 2.62 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 8 V 8.43 4.55 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 0.83 0.00 0.00 1.01 0.00 0.00 9 T 7.83 4.43 4.26 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 1.22 0.00 0.00 10 Q 8.83 3.92 0.00 1.87 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 11 G 9.07 4.01 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 0.00 0.00 0.00 12 L 8.49 5.06 0.00 1.57 1.51 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.64 5.10 0.00 1.89 1.80 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 2.21 2.24 0.00 14 K 8.25 4.08 0.00 1.73 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.64 7.81 15 G 9.08 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.21 4.30 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 17 L 8.45 5.12 0.00 1.50 1.59 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.63 4.62 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.88 0.00 0.00 19 T 8.71 4.47 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 1.20 0.00 0.00 20 C 8.39 4.72 0.00 2.98 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 21 A 8.30 4.52 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 22 D 7.54 5.27 0.00 2.78 2.62 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 23 N 8.32 5.00 0.00 2.85 3.02 0.00 0.00 5.72 7.22 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 24 T 7.90 3.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 25 G 7.57 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 0.00 0.00 0.00 26 A 7.43 4.81 1.24 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 27 R 9.20 4.37 0.00 1.82 1.96 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 7.95 5.08 0.00 1.99 1.82 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 2.24 2.43 0.00 29 L 8.76 5.21 0.00 1.58 1.48 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.71 4.92 0.00 1.77 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.76 3.92 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 0.66 0.00 0.00 0.94 0.00 0.00 32 I 8.63 4.22 1.87 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 1.22 0.93 0.91 0.00 0.00 33 S 7.81 4.74 0.00 3.73 3.72 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 34 V 8.22 4.59 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 0.95 0.00 0.00 0.83 0.00 0.00 35 H 8.85 4.12 0.00 3.18 3.40 0.00 6.08 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.70 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 37 Y 7.73 4.57 0.00 2.92 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 38 S 7.19 4.26 0.00 3.66 3.45 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 39 G 8.03 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 40 T 8.10 4.57 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 41 K 8.45 3.99 0.00 1.75 1.73 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 N 9.02 4.64 0.00 2.96 3.06 0.00 0.00 7.06 7.66 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 43 R 7.62 4.16 0.00 1.84 2.04 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 44 H 8.72 4.52 0.00 3.30 3.22 0.00 5.97 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.60 0.00 2.16 2.46 0.00 3.73 0.00 0.00 4.00 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 46 K 8.12 4.80 0.00 1.65 1.76 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.15 1.13 7.81 47 A 8.91 4.61 1.11 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 48 G 9.18 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.82 4.12 0.00 1.70 1.63 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.06 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 0.00 0.00 0.00 51 D 7.93 4.92 0.00 2.75 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 52 K 8.63 4.81 0.00 1.92 1.72 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.65 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.37 1.39 7.81 53 I 8.74 5.09 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.88 0.00 0.00 54 T 8.84 4.66 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 1.21 0.00 0.00 55 V 8.89 5.08 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 1.07 0.00 0.00 0.94 0.00 0.00 56 S 8.80 5.23 0.00 3.89 3.90 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 57 V 8.39 4.17 2.19 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 0.92 0.00 0.00 0.94 0.00 0.00 58 T 8.98 4.12 4.39 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 1.30 0.00 0.00 59 K 9.13 4.57 0.00 1.73 1.64 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.42 3.81 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 0.00 0.00 0.00 61 T 7.69 4.06 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 62 P 0.00 4.26 0.00 2.03 2.17 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 63 E 8.07 4.10 0.00 1.93 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 2.31 2.34 0.00 64 M 7.60 4.16 0.00 1.84 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.67 0.00 65 R 7.72 3.90 0.00 1.94 1.85 0.00 3.34 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 66 R 8.63 4.00 0.00 2.02 2.08 0.00 3.20 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.65 4.32 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 68 V 8.27 4.65 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 0.80 0.00 0.00 0.92 0.00 0.00 69 L 8.88 4.95 0.00 1.54 1.46 0.90 0.94 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 70 E 8.55 4.93 0.00 1.87 1.78 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 2.33 2.29 0.00 71 A 8.59 4.91 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 72 V 8.30 4.47 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 0.61 0.00 0.00 -0.15 0.00 0.00 73 V 8.59 3.87 2.19 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 0.83 0.00 0.00 0.92 0.00 0.00 74 V 8.91 3.93 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 0.77 0.00 0.00 0.93 0.00 0.00 75 R 7.43 4.16 0.00 1.47 1.10 0.00 3.22 0.00 0.00 3.60 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.31 0.00 76 Q 8.06 4.95 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 77 R 9.17 4.29 0.00 1.85 2.06 0.00 3.14 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.56 0.00 78 K 7.89 4.20 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.91 0.00 2.12 1.96 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.62 4.87 2.02 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 1.37 0.91 0.99 0.00 0.00 81 R 9.11 5.02 0.00 1.85 1.82 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 82 R 8.72 4.66 0.00 1.92 1.82 0.00 3.22 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 83 P 0.00 4.26 0.00 2.03 2.16 0.00 3.67 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 2.04 2.15 0.00 84 D 8.09 4.63 0.00 2.78 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 85 G 8.62 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 86 T 7.53 4.05 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 1.19 0.00 0.00 87 R 8.43 5.02 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 88 V 8.50 4.55 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 0.73 0.00 0.00 0.89 0.00 0.00 89 K 8.32 5.04 0.00 1.93 1.70 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.40 7.81 90 F 8.79 4.79 0.00 3.32 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 9.02 4.10 0.00 1.97 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 0.00 2.32 2.27 0.00 92 D 7.71 4.72 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.79 5.26 0.00 2.62 2.72 0.00 0.00 6.48 7.84 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 94 A 8.98 5.24 1.11 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 95 A 9.12 4.98 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 96 V 8.23 4.59 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 1.03 0.00 0.00 0.91 0.00 0.00 97 I 8.38 4.22 1.83 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 1.07 0.43 0.91 0.00 0.00 98 V 8.47 4.88 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 0.67 0.00 0.00 0.75 0.00 0.00 99 D 8.23 4.88 0.00 2.86 2.79 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 0.00 0.00 0.00 100 E 8.77 3.93 0.00 1.94 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 2.30 2.34 0.00 101 N 8.39 4.76 0.00 2.88 2.81 0.00 0.00 6.94 7.66 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 0.00 102 E 8.04 3.77 0.00 2.24 2.19 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 2.26 2.31 0.00 103 D 8.62 5.31 0.00 2.77 2.57 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 0.00 104 P 0.00 4.71 0.00 2.15 2.04 0.00 3.76 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 1.98 1.96 0.00 105 R 8.66 3.95 0.00 1.77 1.96 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.68 4.01 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 0.00 0.00 0.00 107 T 8.70 4.45 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 108 E 8.06 4.78 0.00 1.86 1.78 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 2.28 2.30 0.00 109 L 8.57 4.92 0.00 1.52 1.57 0.95 0.90 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 0.00 110 K 8.20 4.49 0.00 1.63 1.70 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.35 7.81 111 G 8.86 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 0.00 0.00 0.00 112 P 0.00 4.89 0.00 2.28 2.18 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 113 I 8.28 4.72 1.90 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 1.12 0.54 0.92 0.00 0.00 114 A 8.13 4.90 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 0.00 115 R 9.02 3.95 0.00 2.09 2.26 0.00 2.80 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.17 4.01 0.00 2.12 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 0.00 2.49 2.44 0.00 117 V 7.89 3.64 2.26 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 1.19 0.00 0.00 1.01 0.00 0.00 118 A 8.07 4.04 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 0.00 119 Q 7.79 4.02 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 120 R 7.57 3.92 0.00 1.64 1.72 0.00 3.04 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 121 F 8.41 4.78 0.00 3.14 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 0.00 122 G 8.62 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 0.00 123 S 8.07 4.43 0.00 4.08 4.17 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 0.00 0.00 0.00 124 V 7.80 3.59 2.35 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 0.86 0.00 0.00 0.90 0.00 0.00 125 A 8.02 4.19 1.44 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 0.00 126 S 8.45 4.55 0.00 4.05 4.08 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 0.00 0.00 0.00 0.00 127 A 7.38 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 0.00 128 A 8.27 4.21 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 0.00 129 T 8.75 4.06 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 1.22 0.00 0.00 130 M 7.91 4.80 0.00 1.96 1.96 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 2.58 2.54 0.00 131 I 8.38 4.83 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.95 0.00 0.00 132 V 8.77 3.96 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 0.85 0.00 0.00 0.99 0.00 0.00