NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.8425 8.1293 118.3707 58.4537 39.2531 174.0004 4 M 4.8210 8.3690 118.6534 53.1001 34.2397 173.2262 5 L 4.2220 8.2889 120.8976 53.9344 43.7192 176.5505 6 P 4.6368 0.0000 0.0000 63.2772 32.6444 174.7673 7 H 5.4912 8.8859 117.9307 54.0765 32.1999 172.9102 8 L 4.8145 8.3384 120.4853 53.4199 43.8190 176.4119 9 H 5.0419 9.9923 118.7964 54.7240 30.0843 173.8613 10 N 5.0721 7.7894 116.8476 50.5926 41.0845 175.1553 11 G 3.9028 8.7490 109.0250 47.2091 0.0000 175.6676 12 W 4.2681 8.3364 130.0164 60.3877 30.8718 177.9502 13 Q 3.5105 9.1814 118.4457 58.7540 28.0735 179.0910 14 V 3.3143 7.7556 119.0581 65.9421 31.6238 177.7370 15 D 4.3087 8.2086 118.6234 57.6239 40.4548 178.9741 16 Q 3.7465 7.7023 117.2414 58.5783 28.9611 178.3504 17 A 3.8675 7.6415 121.7718 55.1647 18.1288 179.7865 18 I 3.5306 7.2858 117.1144 64.3206 37.1692 178.2346 19 L 4.0531 7.7599 120.2363 57.1076 41.9986 178.0670 20 S 4.6253 7.4759 111.5565 57.5392 63.7664 173.4652 21 E 4.5490 7.6005 123.2728 54.9090 30.4799 176.2471 22 E 3.9752 8.6934 123.9962 57.9868 30.1342 177.1820 23 D 5.2421 7.9515 115.8132 53.6405 42.6402 174.9673 24 R 5.3100 7.9621 116.4410 54.3920 34.5181 175.1454 25 V 4.3226 9.4434 123.5968 63.3681 32.9740 174.9253 26 V 4.5506 9.1522 128.7428 62.1176 33.0196 174.5818 27 V 4.5635 9.2490 129.2694 61.4407 33.3197 174.2213 28 I 4.6412 8.2820 129.4713 59.4148 39.6984 174.6710 29 R 4.5067 8.5940 128.5670 54.9097 31.5063 174.7161 30 F 5.1890 9.9378 127.5870 54.0875 40.7439 175.6978 31 G 4.2124 7.6934 112.5914 46.3169 0.0000 172.1778 32 H 5.0160 7.4804 120.2752 53.7865 32.5322 174.0959 33 D 4.3788 8.6475 122.7384 56.9001 40.8184 177.6358 34 W 4.4986 7.5454 113.8191 57.2924 29.0120 176.1338 35 D 4.5464 7.3561 120.5065 52.9429 41.7097 174.5856 36 P 4.2690 0.0000 0.0000 66.5549 31.0856 178.8015 37 T 3.8991 7.9090 114.6840 66.6357 68.4390 176.2225 38 C 4.0116 8.1261 118.5080 63.0551 28.0956 175.9483 39 M 4.1176 8.2878 120.4771 58.6720 31.4368 179.1099 40 K 4.0151 7.7680 118.3117 59.5359 32.1177 179.2473 41 M 3.9847 8.0757 118.6196 58.6553 32.1357 177.9775 42 D 4.2978 8.9233 120.3146 57.3184 40.8764 178.3983 43 E 3.9999 8.1991 119.8683 59.1795 29.4853 179.1115 44 V 3.5826 7.5465 118.2285 66.0738 31.5179 178.0653 45 L 3.9527 8.1125 118.9145 57.7721 41.1735 178.8925 46 Y 4.0879 8.2427 119.3553 60.7558 38.9080 178.0708 47 S 4.0371 7.8941 113.1554 60.1056 63.6126 175.2576 48 I 4.1011 7.3697 115.3805 61.1429 37.8303 177.3104 49 A 3.7838 7.2449 122.9857 55.4388 17.9880 179.0524 50 E 3.8675 7.8098 116.3236 59.2785 29.3519 179.1980 51 K 3.7762 7.8204 118.3400 59.3586 32.3524 177.6041 52 V 3.1650 7.4440 109.9209 60.5474 31.8625 177.7996 53 K 3.9298 7.0610 118.7658 59.0153 32.2923 178.1453 54 N 4.4557 7.9640 116.2446 55.3344 38.7620 175.1859 55 F 4.8837 7.9528 110.3061 56.0412 39.6068 174.7531 56 A 5.2685 7.2622 120.8546 50.7319 22.6895 175.4592 57 V 4.2835 9.0102 120.8176 59.7387 34.8193 174.5670 58 I 4.7670 7.8889 123.1327 59.7543 39.5819 174.3772 59 Y 4.9512 9.0420 124.7552 56.0814 41.5985 174.5463 60 L 4.9217 8.5059 122.7353 53.0418 44.5936 175.7786 61 V 4.4102 8.5785 122.9243 60.8392 34.7834 173.9517 62 D 4.9855 8.8089 129.0272 54.1660 41.8497 176.3030 63 I 4.8134 8.3790 121.4062 61.4890 37.9576 177.0940 64 T 4.3748 7.8562 117.4750 66.2293 69.0715 175.9715 65 E 4.3681 8.8087 121.3419 57.7691 30.5568 175.7751 66 V 4.4923 8.3935 120.4078 60.4585 31.9465 172.9235 67 P 4.8115 0.0000 0.0000 62.2262 31.4254 178.1035 68 D 4.1898 7.9311 120.2566 56.6633 40.8851 177.3310 69 F 4.6627 7.6594 115.4817 56.8233 40.7032 176.6485 70 N 4.1041 8.1292 119.7828 56.2486 38.7548 177.3903 71 K 4.0344 8.0051 118.0840 59.0796 32.7092 178.0541 72 M 3.8038 7.9865 116.6553 58.2909 31.8349 176.2015 73 Y 4.7885 7.6571 112.0706 56.8805 39.5141 175.0122 74 E 3.2792 7.5282 118.4400 57.3096 27.1425 177.0222 75 L 4.0922 6.8332 119.5768 53.4676 40.7718 176.9304 76 Y 4.9349 7.3567 115.7201 57.4308 40.1909 175.7551 77 D 4.8712 7.9074 119.6904 52.9249 42.0113 174.3569 78 P 4.3854 0.0000 0.0000 65.4806 31.7826 176.4648 79 C 4.9717 7.8638 117.0445 57.8386 35.0412 172.9121 80 T 4.9248 9.0360 122.0884 62.0232 72.4202 172.7463 81 V 4.7059 8.9498 127.1623 61.2779 33.8182 174.3812 82 M 4.7350 8.5252 126.4829 53.3008 36.4743 174.2578 83 F 5.3009 8.0817 118.7939 55.7773 42.4927 174.3445 84 F 5.5090 9.3318 120.9808 55.9202 43.3955 173.9981 85 F 4.8802 9.6442 123.9998 57.4646 42.7579 174.6057 86 R 3.4970 7.8029 124.0421 57.4031 27.7625 176.3850 87 N 4.2519 7.9854 111.0128 53.8084 38.7153 173.0605 88 K 4.6627 7.9152 117.3694 55.1949 33.7750 175.2237 89 H 4.3271 9.1795 123.9391 56.4432 30.1260 173.9926 90 I 4.3594 8.2284 128.7279 59.9199 38.4749 175.6771 91 M 4.4414 8.6432 127.1955 54.9802 33.8375 175.4235 92 I 4.8720 8.7853 122.4051 59.4916 41.0372 174.3992 93 D 5.3965 9.5880 127.9878 53.6089 41.4165 176.0979 94 L 4.8435 8.2984 125.4591 53.1352 43.1009 178.3655 95 G 3.7482 8.5520 107.5164 46.2133 0.0000 174.4311 96 T 4.2813 8.0921 107.3420 60.8282 69.4732 175.2644 97 G 3.9308 8.4429 110.9578 45.0667 0.0000 172.7669 98 N 4.8209 7.4563 115.9556 52.0892 39.5349 173.6825 99 N 5.5706 8.4889 122.1694 53.2113 39.2889 177.0795 100 N 4.5985 8.6660 116.8638 55.4268 39.0327 175.1543 101 K 4.4850 7.5906 113.9714 55.9553 35.1540 174.8002 102 I 3.9152 8.3390 122.0827 60.2108 37.2108 176.0972 103 N 5.7484 9.1355 122.5445 51.1171 37.6360 174.0986 104 W 4.9910 7.3838 113.5693 54.9887 31.1616 175.1562 105 A 4.0823 8.6313 123.4289 51.6280 16.8543 176.3095 106 M 4.5224 7.9643 118.9458 55.0679 32.3592 176.2655 107 E 4.3843 8.7932 122.1735 56.0951 30.2836 176.2086 108 D 4.6393 7.8112 120.0441 52.8484 41.3344 176.6767 109 K 3.9040 8.4807 127.1494 59.6836 32.1973 178.9046 110 Q 4.0016 8.0670 119.0945 59.1670 28.9937 177.8486 111 E 4.0035 8.3285 119.2589 59.7492 29.4869 179.0841 112 M 4.0673 8.0674 117.9427 58.3455 32.1820 178.4188 113 V 3.6110 7.9341 118.5489 66.2482 31.7711 177.8083 114 D 4.3718 8.4404 118.8452 57.2334 40.4889 178.9227 115 I 3.6139 7.9316 120.3417 64.5076 37.1385 178.3958 116 I 3.4884 7.8345 120.6476 64.4461 36.8865 178.1370 117 E 3.8068 8.6527 120.4220 59.4475 29.4104 179.0715 118 T 3.7619 7.9061 115.8387 66.4477 68.4633 176.7091 119 V 3.3878 7.7836 120.4345 66.0765 31.4604 177.2079 120 Y 3.6918 8.0125 119.0551 60.8755 38.4546 178.4662 121 R 3.7339 8.1660 118.9927 58.9217 30.0979 179.3925 122 G 3.4623 8.0208 105.2120 47.8129 0.0000 175.6382 123 A 4.2527 7.8987 125.7665 54.0806 18.0823 179.6151 124 R 3.7443 7.1168 116.2192 58.8548 29.9699 177.7386 125 K 4.4438 7.1917 116.4918 55.9040 32.4772 177.6279 126 G 3.9518 7.9241 106.6016 45.6197 0.0000 174.7312 127 R 4.0713 8.0562 119.8636 56.1459 30.7450 177.1769 128 G 4.1505 8.5762 107.3993 46.1701 0.0000 172.5256 129 L 5.4990 7.6285 121.5582 53.3501 45.4359 175.4525 130 V 4.5564 8.5167 123.4268 60.0795 35.4252 173.9266 131 V 4.7469 8.1798 121.7846 61.2668 33.1961 175.4754 132 S 4.3275 8.8095 123.1400 57.5852 63.6814 173.3674 133 P 4.1728 0.0000 0.0000 64.8249 31.3647 176.3773 134 K 4.3179 7.6187 117.2093 54.0973 33.8647 174.7074 135 D 4.4056 8.2703 125.4069 54.2082 41.6849 176.0231 136 Y 4.4105 8.2488 128.2557 57.7510 38.1570 175.9385 137 S 4.1831 7.5888 118.4349 58.8316 64.5151 170.2525 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 3 Y 8.13 4.84 0.00 2.96 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 4 M 8.37 4.82 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 5 L 8.29 4.22 0.00 1.66 1.58 0.97 0.99 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 6 P 0.00 4.64 0.00 2.25 2.19 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 7 H 8.89 5.49 0.00 2.96 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.34 4.81 0.00 1.38 1.40 0.29 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 H 9.99 5.04 0.00 3.13 3.49 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.79 5.07 0.00 3.06 2.98 0.00 0.00 6.07 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 11 G 8.75 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 0.00 0.00 0.00 12 W 8.34 4.27 0.00 3.36 3.44 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 13 Q 9.18 3.51 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.62 0.00 14 V 7.76 3.31 2.46 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 0.47 0.00 0.00 1.03 0.00 0.00 15 D 8.21 4.31 0.00 2.88 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 16 Q 7.70 3.75 0.00 1.58 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 1.37 1.21 0.00 17 A 7.64 3.87 0.64 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 18 I 7.29 3.53 1.56 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.23 0.62 0.00 0.00 19 L 7.76 4.05 0.00 1.77 1.73 0.89 0.73 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 20 S 7.48 4.63 0.00 4.03 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 21 E 7.60 4.55 0.00 1.99 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 2.34 2.31 0.00 22 E 8.69 3.98 0.00 1.93 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 2.24 2.23 0.00 23 D 7.95 5.24 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.96 5.31 0.00 1.86 1.94 0.00 3.31 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 25 V 9.44 4.32 2.31 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 1.25 0.00 0.00 1.19 0.00 0.00 26 V 9.15 4.55 2.28 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 1.05 0.00 0.00 1.08 0.00 0.00 27 V 9.25 4.56 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 0.62 0.00 0.00 1.11 0.00 0.00 28 I 8.28 4.64 1.46 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 -0.43 0.00 0.00 29 R 8.59 4.51 0.00 1.62 1.61 0.00 3.12 0.00 0.00 3.06 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 30 F 9.94 5.19 0.00 3.04 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 31 G 7.69 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 32 H 7.48 5.02 0.00 1.59 1.91 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.65 4.38 0.00 2.74 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 34 W 7.55 4.50 0.00 3.50 3.22 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 0.00 35 D 7.36 4.55 0.00 1.92 2.37 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 36 P 0.00 4.27 0.00 2.34 2.36 0.00 3.84 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 37 T 7.91 3.90 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 1.23 0.00 0.00 38 C 8.13 4.01 0.00 3.10 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.29 4.12 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.61 0.00 40 K 7.77 4.02 0.00 1.93 1.86 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.45 7.81 41 M 8.08 3.98 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 42 D 8.92 4.30 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.00 0.00 2.20 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 0.00 2.33 2.47 0.00 44 V 7.55 3.58 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 0.95 0.00 0.00 0.98 0.00 0.00 45 L 8.11 3.95 0.00 1.84 1.64 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.24 4.09 0.00 2.89 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 47 S 7.89 4.04 0.00 4.01 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 48 I 7.37 4.10 1.80 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 1.70 0.60 0.99 0.00 0.00 49 A 7.24 3.78 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 50 E 7.81 3.87 0.00 1.79 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 51 K 7.82 3.78 0.00 1.68 1.77 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 52 V 7.44 3.16 1.05 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 0.58 0.00 0.00 0.68 0.00 0.00 53 K 7.06 3.93 0.00 1.72 1.96 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.28 7.81 54 N 7.96 4.46 0.00 2.83 2.99 0.00 0.00 6.68 7.45 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 55 F 7.95 4.88 0.00 1.60 2.36 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 56 A 7.26 5.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 9.01 4.28 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 0.92 0.00 0.00 0.40 0.00 0.00 58 I 7.89 4.77 1.68 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.77 0.00 0.00 59 Y 9.04 4.95 0.00 2.69 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 60 L 8.51 4.92 0.00 1.19 1.38 0.84 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.58 4.41 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.73 0.00 0.00 62 D 8.81 4.99 0.00 2.92 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 63 I 8.38 4.81 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 1.09 0.00 0.00 64 T 7.86 4.37 4.69 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 0.00 0.00 0.00 1.34 0.00 0.00 65 E 8.81 4.37 0.00 2.14 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 2.40 2.40 0.00 66 V 8.39 4.49 2.33 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 1.17 0.00 0.00 1.08 0.00 0.00 67 P 0.00 4.81 0.00 2.26 2.29 0.00 3.76 0.00 0.00 3.87 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 68 D 7.93 4.19 0.00 1.83 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 0.00 0.00 0.00 0.00 69 F 7.66 4.66 0.00 2.85 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 70 N 8.13 4.10 0.00 2.90 2.91 0.00 0.00 6.60 7.53 0.00 0.00 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 K 8.01 4.03 0.00 1.82 1.75 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.41 7.81 72 M 7.99 3.80 0.00 1.46 1.83 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.58 0.00 73 Y 7.66 4.79 0.00 2.92 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.53 3.28 0.00 2.08 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 2.54 2.35 0.00 75 L 6.83 4.09 0.00 1.45 1.41 0.27 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.36 4.93 0.00 3.08 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 77 D 7.91 4.87 0.00 2.70 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 78 P 0.00 4.39 0.00 2.04 2.39 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 2.08 2.15 0.00 79 C 7.86 4.97 0.00 2.89 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 9.04 4.92 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 1.20 0.00 0.00 81 V 8.95 4.71 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 0.46 0.00 0.00 0.70 0.00 0.00 82 M 8.53 4.73 0.00 1.44 1.85 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 83 F 8.08 5.30 0.00 2.86 2.84 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 84 F 9.33 5.51 0.00 3.06 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 85 F 9.64 4.88 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.80 3.50 0.00 1.82 1.77 0.00 3.27 0.00 0.00 3.04 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 87 N 7.99 4.25 0.00 2.83 2.94 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.92 4.66 0.00 2.13 1.80 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.42 7.81 89 H 9.18 4.33 0.00 3.25 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.23 4.36 1.86 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 1.47 1.10 0.84 0.00 0.00 91 M 8.64 4.44 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 92 I 8.79 4.87 1.91 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.98 0.90 0.00 0.00 93 D 9.59 5.40 0.00 2.74 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 94 L 8.30 4.84 0.00 1.91 2.14 1.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.55 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 96 T 8.09 4.28 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 1.25 0.00 0.00 97 G 8.44 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.46 4.82 0.00 2.77 2.82 0.00 0.00 7.17 7.67 0.00 0.00 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 8.49 5.57 0.00 2.82 2.84 0.00 0.00 7.64 6.92 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 0.00 100 N 8.67 4.60 0.00 2.90 2.90 0.00 0.00 6.74 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 0.00 101 K 7.59 4.48 0.00 1.86 1.66 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.45 7.81 102 I 8.34 3.92 1.49 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 0.93 0.63 -0.46 0.00 0.00 103 N 9.14 5.75 0.00 2.93 2.90 0.00 0.00 6.16 8.88 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 0.00 104 W 7.38 4.99 0.00 3.33 3.12 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 0.00 105 A 8.63 4.08 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 0.00 106 M 7.96 4.52 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.10 0.00 107 E 8.79 4.38 0.00 2.01 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 2.25 2.29 0.00 108 D 7.81 4.64 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 3.90 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 110 Q 8.07 4.00 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 111 E 8.33 4.00 0.00 2.44 2.12 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 2.48 2.40 0.00 112 M 8.07 4.07 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 113 V 7.93 3.61 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 1.15 0.00 0.00 0.95 0.00 0.00 114 D 8.44 4.37 0.00 2.88 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 0.00 115 I 7.93 3.61 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.63 0.00 0.00 116 I 7.83 3.49 2.09 0.00 0.00 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 1.63 0.78 1.02 0.00 0.00 117 E 8.65 3.81 0.00 2.04 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 2.13 1.85 0.00 118 T 7.91 3.76 4.27 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 1.19 0.00 0.00 119 V 7.78 3.39 1.95 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 0.94 0.00 0.00 0.35 0.00 0.00 120 Y 8.01 3.69 0.00 3.20 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 0.00 121 R 8.17 3.73 0.00 1.78 1.85 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 122 G 8.02 3.46 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 0.00 123 A 7.90 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.12 3.74 0.00 1.34 1.66 0.00 2.58 0.00 0.00 2.93 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 0.00 125 K 7.19 4.44 0.00 1.76 1.74 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.54 7.81 126 G 7.92 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 0.00 127 R 8.06 4.07 0.00 1.78 1.97 0.00 3.22 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 128 G 8.58 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 0.00 129 L 7.63 5.50 0.00 1.56 1.46 0.94 0.87 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 0.00 130 V 8.52 4.56 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 0.60 0.00 0.00 0.86 0.00 0.00 131 V 8.18 4.75 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 0.88 0.00 0.00 0.92 0.00 0.00 132 S 8.81 4.33 0.00 4.15 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 0.00 133 P 0.00 4.17 0.00 2.06 2.17 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 134 K 7.62 4.32 0.00 1.56 1.19 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.91 1.21 7.81 135 D 8.27 4.41 0.00 2.59 2.45 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 0.00 136 Y 8.25 4.41 0.00 3.11 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.59 4.18 0.00 4.15 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00