NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5551 8.3649 120.3176 52.7907 41.1261 175.8241 2 F 4.1318 8.2149 118.4505 58.3165 39.4179 173.3001 3 G 4.2498 8.5021 108.8265 43.9504 0.0000 170.5746 4 L 4.6828 8.1868 117.9467 53.0556 43.9461 175.6383 5 D 5.2303 8.5254 122.4918 52.8291 42.6928 176.1284 6 C 5.0417 8.8720 119.4514 55.2388 44.1203 172.4363 7 D 4.8989 8.6068 117.8900 52.0672 41.8560 175.4339 8 E 4.0726 9.0144 118.5090 59.6286 29.5129 177.7855 9 H 4.5148 9.0442 114.3715 56.8684 29.2976 175.9199 10 S 4.4369 8.0119 116.0957 58.5405 63.7186 174.1549 11 T 4.6303 8.1592 110.7175 60.7667 68.4411 174.1005 12 E 4.5282 7.9659 121.3714 55.3034 31.3274 175.2089 13 S 4.4550 8.5513 121.3913 60.7891 64.5871 174.7589 14 R 4.6074 8.5530 119.2868 55.3146 31.0019 175.7390 15 C 4.2957 8.2270 120.7406 58.0185 45.1746 172.3372 16 C 4.9546 9.1839 125.0138 55.0991 43.6359 172.2383 17 R 4.8555 8.7458 125.2304 55.5181 31.2349 174.8984 18 Y 5.1887 8.9090 123.6721 54.3108 41.5074 173.3859 19 P 4.9315 0.0000 0.0000 62.6607 32.8364 175.6106 20 L 4.4376 8.2390 121.4731 54.6895 45.6005 173.3910 21 T 4.7123 8.4709 123.1570 62.1138 70.2894 174.0205 22 V 3.6250 7.8966 126.5900 60.8496 33.5959 173.7875 23 D 4.8143 7.6438 127.2089 52.3078 42.3838 176.0398 24 F 4.3012 8.7078 128.9897 61.1731 38.7948 178.0017 25 E 4.0609 8.4998 117.3100 61.3489 29.2852 180.7844 26 A 4.4075 8.0873 119.2928 53.8405 18.6707 178.7023 27 F 4.3444 8.2754 114.8601 57.4139 39.5287 176.9102 28 G 4.1471 8.0307 107.0694 45.2208 0.0000 174.8130 29 W 3.6984 8.0016 121.4808 55.5581 27.1481 176.4667 30 D 4.6533 7.9117 116.6947 53.9489 40.0997 177.9346 31 W 4.7646 7.6911 116.9046 57.2587 28.9618 175.3954 32 I 4.3073 6.7462 121.4002 61.2311 36.8931 175.5773 33 I 4.3402 8.8217 127.8975 63.0811 38.2558 176.0797 34 A 4.8447 7.5527 121.5262 49.9418 22.4648 174.0138 35 P 4.8327 0.0000 0.0000 62.2144 32.5755 176.6918 36 K 4.3776 8.7824 119.2606 59.0842 32.4394 177.2595 37 R 5.1184 7.6029 115.1092 55.0957 34.4144 173.9129 38 Y 4.7569 8.2184 117.7883 56.0122 41.9528 174.1688 39 K 4.5255 8.6665 120.2563 55.7871 31.8494 176.4656 40 A 4.1553 8.3023 128.8546 52.3139 19.8663 178.0827 41 N 4.7336 8.4777 114.2477 53.1864 38.1209 171.8017 42 Y 4.8717 8.2506 115.0838 56.9055 41.7136 172.5411 43 C 5.4267 8.8279 117.3063 55.5711 42.5734 173.4866 44 S 4.6945 9.0802 116.4906 57.7414 66.0537 173.3530 45 G 4.2528 8.5830 111.1941 43.3830 0.0000 172.7012 46 E 4.4573 9.3379 120.3168 55.7707 30.3817 175.6595 47 C 4.8320 8.4886 118.5180 55.1321 40.6385 173.4076 48 E 4.8079 8.5286 123.3750 54.7556 32.6860 178.4585 49 F 3.7071 8.1317 123.1960 60.1183 39.5608 176.4400 50 V 4.4101 6.1871 107.9345 59.4169 31.9133 174.8468 51 F 4.4901 7.2294 119.0163 59.0991 39.1978 175.2421 52 L 3.6895 8.7418 122.4706 55.6865 39.0568 173.3877 53 Q 4.8315 7.7737 120.0871 54.3768 29.7126 177.3578 54 K 4.0274 8.1474 123.7713 54.9294 32.7769 172.6697 55 Y 4.9629 7.1249 115.4711 55.8487 39.8608 174.9477 56 P 4.2919 0.0000 0.0000 65.9322 31.2566 177.9053 57 H 4.0483 8.4492 117.8632 59.6677 29.6636 176.5931 58 T 3.9130 7.7665 117.2424 67.4438 68.4336 175.9762 59 H 4.2459 8.1631 118.9054 58.7728 29.9631 177.1022 60 L 3.9742 7.7519 120.9353 57.7661 41.4679 179.5765 61 V 3.5619 7.8893 118.3042 66.0637 31.2034 177.5742 62 H 4.0775 7.9090 117.2098 59.3438 29.7623 177.0386 63 Q 4.0663 7.9320 118.6765 58.7997 28.6784 178.1595 64 A 3.9691 8.0197 120.7044 52.9235 19.7113 177.1484 65 N 3.8663 7.4892 113.3486 54.1411 37.4434 171.0544 66 P 4.6617 0.0000 0.0000 60.9711 33.6181 176.3948 67 R 3.8832 8.2110 118.2101 57.7169 30.1496 177.7515 68 G 3.8706 8.9642 111.1710 45.2109 0.0000 173.4742 69 S 4.2169 7.4945 114.5514 57.3133 62.3733 174.1036 70 A 4.2458 8.3290 128.7147 51.1887 18.9922 176.6868 71 G 3.9402 8.2942 108.9664 44.3978 0.0000 171.7951 72 P 4.7700 0.0000 0.0000 63.0061 32.1403 175.2772 73 C 5.0295 8.5924 114.9144 56.3174 33.4221 172.1101 74 C 4.9502 8.7786 120.7732 56.9022 43.7118 172.4113 75 T 4.8606 9.0595 120.1538 59.8984 71.2388 170.8492 76 P 4.9313 0.0000 0.0000 63.3055 31.4085 176.4326 77 T 4.6118 9.0778 113.7377 61.6701 70.4775 174.4413 78 K 4.6568 7.8258 123.5919 55.3981 35.6982 174.3996 79 M 5.3786 8.7493 125.5703 53.7334 35.7661 174.9621 80 S 4.9417 9.0476 116.5310 56.0663 67.2915 172.2589 81 P 5.0876 0.0000 0.0000 62.5552 32.7368 175.0655 82 I 4.6942 8.1681 112.8375 58.9269 41.0557 174.3318 83 N 4.8686 8.6830 121.3175 53.5342 39.2506 174.4342 84 M 5.0786 9.0516 122.3430 53.3932 37.0369 173.9134 85 L 5.2504 9.0012 123.6568 53.5185 45.0413 174.9043 86 Y 5.1596 8.4411 123.3839 55.8572 42.1965 173.4861 87 F 5.1473 9.5128 120.1264 56.7861 39.9875 176.6382 88 N 4.8701 8.9792 122.4676 52.0688 39.0164 175.5892 89 G 3.6015 8.6048 105.7722 47.7275 0.0000 174.2963 90 K 4.3491 8.1777 117.7713 55.5788 32.4096 175.8945 91 E 3.9820 8.2413 117.3175 57.5830 27.5604 174.2739 92 Q 4.5990 8.4550 117.2357 54.9563 30.9445 175.3586 93 I 4.0913 8.2044 123.3968 60.9941 37.9547 175.3869 94 I 4.3730 8.4096 128.3380 59.3663 40.5475 173.8542 95 Y 4.9024 8.5177 127.8545 56.2960 40.0191 174.6736 96 G 4.1243 8.5267 112.5272 44.9281 0.0000 171.4940 97 K 4.6961 8.4029 122.8667 55.1476 33.4271 175.7858 98 I 4.3525 8.7041 129.5005 58.9007 38.6666 173.8126 99 P 4.5229 0.0000 0.0000 62.5483 32.2090 175.9286 100 A 3.7607 8.3439 121.9370 53.8886 15.8699 178.3017 101 M 4.4949 8.1603 120.2985 57.1815 33.7984 177.7904 102 V 4.7188 7.9950 118.6611 60.8662 34.8441 174.7312 103 V 4.2478 8.5678 128.1097 62.7588 31.4237 175.2194 104 D 4.7898 9.0108 127.9947 55.8277 42.4335 176.9718 105 R 4.6966 7.7062 116.6539 55.2356 33.5821 174.4151 106 C 5.5173 8.7826 122.1599 55.5285 43.2984 173.0922 107 G 4.1586 9.0530 108.4357 45.7615 0.0000 170.5995 108 C 5.3340 9.1729 117.8978 55.6068 36.6468 174.8712 109 S 4.5346 8.7276 119.1832 58.6815 63.2915 174.0657 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 D 8.36 4.56 0.00 2.63 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 2 F 8.21 4.13 0.00 3.11 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 3 G 8.50 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 0.00 0.00 0.00 4 L 8.19 4.68 0.00 1.52 1.46 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.53 5.23 0.00 2.45 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 6 C 8.87 5.04 0.00 1.23 2.51 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 7 D 8.61 4.90 0.00 2.84 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 8 E 9.01 4.07 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 9 H 9.04 4.51 0.00 3.33 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.01 4.44 0.00 4.03 3.79 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 11 T 8.16 4.63 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 12 E 7.97 4.53 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.48 0.00 13 S 8.55 4.45 0.00 3.96 4.11 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 14 R 8.55 4.61 0.00 1.83 1.90 0.00 3.12 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 15 C 8.23 4.30 0.00 3.18 3.08 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 16 C 9.18 4.95 0.00 3.07 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 17 R 8.75 4.86 0.00 1.83 1.96 0.00 3.22 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 18 Y 8.91 5.19 0.00 1.78 2.59 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 0.00 0.00 0.00 0.00 19 P 0.00 4.93 0.00 2.12 2.07 0.00 3.60 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 20 L 8.24 4.44 0.00 1.94 1.62 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.47 4.71 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 22 V 7.90 3.62 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 0.00 0.00 -0.47 0.00 0.00 0.31 0.00 0.00 23 D 7.64 4.81 0.00 2.55 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.71 4.30 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.50 4.06 0.00 1.97 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 1.96 0.00 26 A 8.09 4.41 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 27 F 8.28 4.34 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 28 G 8.03 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 29 W 8.00 3.70 0.00 3.18 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 0.00 0.00 0.00 30 D 7.91 4.65 0.00 2.87 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 31 W 7.69 4.76 0.00 3.90 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.75 4.31 1.45 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.67 0.00 0.00 33 I 8.82 4.34 1.94 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 0.89 0.00 0.00 34 A 7.55 4.84 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 35 P 0.00 4.83 0.00 2.38 2.15 0.00 3.84 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 2.19 2.08 0.00 36 K 8.78 4.38 0.00 1.86 1.96 0.00 1.72 0.00 0.00 2.00 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.45 7.81 37 R 7.60 5.12 0.00 1.59 1.62 0.00 3.18 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 38 Y 8.22 4.76 0.00 2.98 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.67 4.53 0.00 1.67 1.79 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.42 7.81 40 A 8.30 4.16 0.91 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 41 N 8.48 4.73 0.00 2.97 3.01 0.00 0.00 6.71 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.25 4.87 0.00 3.11 2.98 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 43 C 8.83 5.43 0.00 2.94 3.08 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 44 S 9.08 4.69 0.00 3.94 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.58 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 0.00 0.00 0.00 0.00 46 E 9.34 4.46 0.00 2.16 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 0.00 2.34 2.32 0.00 47 C 8.49 4.83 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.53 4.81 0.00 2.36 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 2.45 2.35 0.00 49 F 8.13 3.71 0.00 2.61 1.45 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 50 V 6.19 4.41 1.70 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 0.45 0.00 0.00 0.10 0.00 0.00 51 F 7.23 4.49 0.00 3.12 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 52 L 8.74 3.69 0.00 1.90 1.77 0.93 1.02 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 53 Q 7.77 4.83 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 54 K 8.15 4.03 0.00 1.77 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.01 7.81 55 Y 7.12 4.96 0.00 3.03 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 56 P 0.00 4.29 0.00 2.29 2.33 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 57 H 8.45 4.05 0.00 3.23 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.77 3.91 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 1.22 0.00 0.00 59 H 8.16 4.25 0.00 3.09 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.75 3.97 0.00 1.84 1.67 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.89 3.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.77 0.00 0.00 62 H 7.91 4.08 0.00 3.24 3.32 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.93 4.07 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 64 A 8.02 3.97 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 65 N 7.49 3.87 0.00 2.84 2.79 0.00 0.00 7.18 7.69 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 66 P 0.00 4.66 0.00 2.25 2.16 0.00 3.75 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 2.03 1.97 0.00 67 R 8.21 3.88 0.00 1.82 1.92 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 68 G 8.96 3.87 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 0.00 0.00 0.00 69 S 7.49 4.22 0.00 3.95 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 70 A 8.33 4.25 1.29 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 0.00 0.00 0.00 71 G 8.29 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 72 P 0.00 4.77 0.00 2.12 2.11 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.96 0.00 73 C 8.59 5.03 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 74 C 8.78 4.95 0.00 3.18 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 75 T 9.06 4.86 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 1.28 0.00 0.00 76 P 0.00 4.93 0.00 2.03 2.03 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 77 T 9.08 4.61 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 1.25 0.00 0.00 78 K 7.83 4.66 0.00 1.76 1.61 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.44 7.81 79 M 8.75 5.38 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 80 S 9.05 4.94 0.00 3.82 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 81 P 0.00 5.09 0.00 2.05 2.05 0.00 3.71 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 1.99 1.96 0.00 82 I 8.17 4.69 1.75 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.73 0.76 0.00 0.00 83 N 8.68 4.87 0.00 2.69 2.81 0.00 0.00 6.73 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 84 M 9.05 5.08 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 85 L 9.00 5.25 0.00 1.78 1.49 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.44 5.16 0.00 3.43 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 87 F 9.51 5.15 0.00 3.10 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 88 N 8.98 4.87 0.00 3.02 3.08 0.00 0.00 6.46 6.44 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 89 G 8.60 3.60 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 0.00 0.00 0.00 90 K 8.18 4.35 0.00 1.89 1.84 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.43 7.81 91 E 8.24 3.98 0.00 2.13 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 2.23 2.36 0.00 92 Q 8.46 4.60 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 93 I 8.20 4.09 1.75 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 0.87 0.42 0.68 0.00 0.00 94 I 8.41 4.37 0.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.85 0.67 0.00 0.00 95 Y 8.52 4.90 0.00 2.87 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 96 G 8.53 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.40 4.70 0.00 1.72 1.69 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.58 7.81 98 I 8.70 4.35 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.69 0.89 0.00 0.00 99 P 0.00 4.52 0.00 1.94 1.99 0.00 3.82 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 2.09 0.00 100 A 8.34 3.76 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.16 4.49 0.00 1.74 2.05 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.74 0.00 102 V 8.00 4.72 2.27 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 1.17 0.00 0.00 1.20 0.00 0.00 103 V 8.57 4.25 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 0.87 0.00 0.00 1.00 0.00 0.00 104 D 9.01 4.79 0.00 2.69 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 0.00 105 R 7.71 4.70 0.00 1.86 1.70 0.00 3.08 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 106 C 8.78 5.52 0.00 2.84 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 9.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 9.17 5.33 0.00 2.98 3.05 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 0.00 109 S 8.73 4.53 0.00 3.86 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