NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2340 8.3444 119.6824 55.7834 31.1581 174.6815 2 V 3.6747 7.2701 117.6331 62.4141 32.2207 173.4085 3 Q 4.5319 9.2438 126.9980 54.1694 34.0284 173.3789 4 L 4.7397 8.4973 122.3056 52.9809 45.0174 175.5072 5 V 4.4425 8.6214 125.1855 60.9740 33.6250 174.4769 6 E 4.8986 8.8551 127.9565 56.1280 30.7453 176.1977 7 S 4.7239 9.3462 118.3513 56.7092 65.6565 173.1810 8 G 4.3607 8.3508 112.5270 44.6891 0.0000 170.3848 9 P 4.5024 0.0000 0.0000 63.6033 33.2901 177.5626 10 G 3.9509 8.0368 107.1099 45.3936 0.0000 175.9149 11 L 4.8930 8.5772 120.7184 54.0246 42.8067 175.4258 12 V 4.6002 8.4980 114.5546 59.4003 36.5439 174.5712 13 A 5.0835 8.7937 125.7487 50.4990 19.4829 175.5051 14 P 4.4052 0.0000 0.0000 64.2043 31.8317 175.0508 15 S 4.5516 9.3661 116.6319 58.4541 62.8358 169.1434 16 Q 4.2686 7.4160 117.8616 56.4706 29.7686 175.8849 17 S 4.9850 8.4096 114.1294 56.7913 65.5960 173.2501 18 L 4.7013 8.8607 123.6524 53.7884 44.7363 175.4229 19 S 4.9767 8.1757 119.2130 57.2905 66.8290 173.4591 20 I 4.8404 8.4310 124.8889 59.6876 41.2088 174.5522 21 T 5.0866 8.7372 121.2134 61.9785 72.2840 172.1482 22 C 5.0743 9.3950 127.0858 55.4695 45.5740 172.7596 23 T 4.5725 8.8731 125.4872 62.3340 69.1071 174.4709 24 V 4.6303 8.0382 127.3317 61.7754 33.1671 175.1900 25 S 4.4901 8.3790 119.1228 58.0553 66.2679 175.2221 26 G 3.8935 9.5011 109.4750 45.3933 0.0000 173.0870 27 I 4.5706 6.8171 110.6220 58.9795 40.6259 174.0404 28 S 4.5987 8.3629 115.1973 57.0166 63.4642 174.6230 29 L 4.3813 8.4020 126.1968 56.2916 42.1925 179.1033 30 S 4.5411 7.9634 115.7961 60.6606 62.9899 175.9638 31 R 4.4509 7.6812 114.9345 56.8385 30.3735 175.6175 32 Y 4.9363 7.6723 115.3300 56.2222 42.6454 173.7927 33 N 5.1889 9.1605 119.2965 51.6111 41.6818 174.0475 34 V 4.7331 8.3623 121.8780 61.4866 34.3690 174.0661 35 H 5.1359 9.2858 124.9728 53.9226 32.0186 173.4760 36 W 4.9487 8.5303 121.3272 55.0945 31.2401 175.4100 37 V 5.0870 9.1706 124.6217 61.1442 35.0592 174.2398 38 R 5.1449 8.9741 120.3332 54.7069 33.1489 173.6194 39 Q 5.5414 9.2919 120.8370 53.9205 33.1821 173.7302 40 S 4.8643 8.3581 116.8339 56.7525 65.8570 173.4674 41 P 4.2781 0.0000 0.0000 65.3964 31.3342 178.1285 42 G 3.8360 8.0195 105.6056 46.9734 0.0000 174.5922 43 K 4.2096 7.9967 117.8790 56.0590 33.6946 178.7011 44 G 3.8708 8.0133 107.1347 45.3513 0.0000 171.7903 45 L 5.1028 8.3898 120.9241 53.5591 43.4223 175.6298 46 E 4.8556 9.0493 121.9796 54.2960 33.4179 174.6183 47 W 4.7218 9.1284 134.5658 57.4435 31.4811 175.1032 48 L 4.2873 8.5127 127.2987 55.5600 43.0999 176.4466 49 G 2.8854 6.0791 102.3586 47.0727 0.0000 171.2743 50 M 4.8830 7.6043 115.0163 54.5446 35.0644 173.5743 51 I 5.0767 8.2028 119.9311 59.0431 41.2563 174.8551 52 W 4.7189 9.6879 129.5208 56.1338 29.4357 176.6244 53 G 4.3787 8.9994 109.8819 47.2923 0.0000 174.6322 54 G 4.1681 8.1175 110.9949 45.2984 0.0000 174.6149 55 G 3.9990 8.1609 102.7029 46.4749 0.0000 173.0802 56 S 4.4375 8.3162 115.2775 58.4137 63.5720 172.8946 57 I 5.2023 8.4439 125.8629 59.6659 40.3823 174.6359 58 E 4.9880 9.0323 124.2971 54.9193 33.6435 174.3478 59 Y 4.9304 8.7429 119.3410 55.8723 42.1720 174.8167 60 N 4.9524 9.3893 121.7001 53.1141 39.5816 173.6132 61 P 4.1972 0.0000 0.0000 66.1767 31.4748 177.8517 62 A 3.9647 7.6728 121.3413 54.2565 18.3607 178.3389 63 L 4.5775 7.9718 112.8303 54.1311 42.2341 178.0797 64 K 3.6789 8.3172 122.9773 59.5890 32.1470 178.8563 65 S 3.8864 8.0508 111.8781 60.4959 63.2004 174.9019 66 R 4.3738 8.2148 118.4009 55.9042 31.1150 175.5305 67 L 5.1209 7.0121 117.5067 53.6278 43.7738 176.5008 68 S 4.6991 8.9058 116.4449 57.3463 65.6943 172.6528 69 I 5.2686 9.1733 128.7404 59.8857 39.8711 175.0683 70 S 4.9103 8.9432 119.4388 57.9987 66.8486 172.3434 71 K 5.0697 8.4465 117.2750 56.4526 35.4611 175.4121 72 D 4.6490 9.2496 120.4363 52.5716 42.9548 175.4278 73 N 4.4258 8.9671 124.6850 56.0248 38.9646 178.0187 74 S 4.1099 7.9750 112.3600 60.3296 63.1619 175.0308 75 K 4.3636 7.4275 115.4833 55.2781 33.0668 176.0231 76 S 3.7331 7.9089 114.7674 59.9220 61.0211 171.3979 77 Q 4.9948 7.7889 116.6085 54.0846 32.3767 175.1636 78 I 4.7070 7.9487 121.9357 59.4711 41.1126 174.6026 79 F 5.5606 9.1698 123.7714 55.6896 42.9846 173.9217 80 L 4.9103 8.3662 122.5817 53.0646 45.7465 175.1421 81 K 4.7981 8.8656 125.7796 54.9015 35.6483 174.2875 82 M 5.2165 8.5502 126.7655 53.8987 34.8969 174.4031 82A N 4.8401 8.9994 123.7185 51.8191 40.7293 175.2168 82B S 3.9501 8.2783 113.2786 58.3913 60.3857 172.4942 82C L 4.2713 8.1395 121.6490 54.9534 42.7537 176.7031 83 Q 4.8718 8.6830 121.3061 54.0077 32.8366 176.2464 84 T 3.8554 8.4436 110.5005 64.6840 68.7567 175.5478 85 D 4.6522 7.5268 116.2932 53.8192 38.8786 176.3471 86 D 4.9049 7.6855 117.6574 54.4800 42.0253 176.8454 87 S 4.5427 8.1441 115.9756 58.9159 63.4497 173.4072 88 A 4.3403 8.5730 123.9178 51.6134 23.5192 174.7289 89 M 4.6369 8.4492 120.3420 55.2213 33.5230 174.6755 90 Y 4.8527 9.0613 124.8765 57.1160 40.1192 174.4638 91 Y 5.6964 9.6855 120.8122 56.3890 42.7992 171.7413 92 C 4.7454 9.4219 116.9060 53.3804 40.5809 172.9175 93 V 4.4770 8.0394 121.4579 60.8637 34.4037 174.1539 94 S 5.6770 8.5224 122.1255 56.1298 66.0611 172.6260 95 Y 4.7283 8.6192 117.9967 55.3794 42.0695 174.7504 96 G 3.4427 6.9323 111.7462 46.3695 0.0000 170.7111 97 Y 4.6409 8.4092 117.6359 56.9332 39.4537 174.9772 98 G 3.7304 8.4277 113.0486 45.1082 0.0000 173.1291 99 G 4.7003 7.9127 108.1641 44.4697 0.0000 173.2176 100 D 4.6693 8.7903 116.0739 54.1683 40.5044 176.6685 100A R 4.5340 7.6593 115.8230 55.4317 34.5042 174.7380 100B F 4.7740 8.5305 122.4796 59.5418 40.6981 175.1930 101 S 4.8040 7.6743 110.8016 56.4164 65.7984 172.9749 102 Y 4.6421 8.3986 122.0913 56.0415 41.6923 173.8594 103 W 4.6905 8.8715 134.3514 55.3758 32.5849 175.8882 104 G 3.9885 8.5869 114.8555 46.1014 0.0000 173.6411 105 Q 4.3174 8.6133 119.0945 56.8162 28.9536 178.2045 106 G 3.6688 9.7881 104.2267 45.7972 0.0000 172.5092 107 T 4.5369 8.3575 115.7583 59.6413 70.3588 172.6548 108 L 4.4350 8.7027 131.6136 54.9748 43.2727 175.8547 109 V 4.4289 8.8881 126.2342 61.6247 34.1727 174.3351 110 T 4.3666 8.8002 126.0961 61.6966 69.9758 173.7019 111 V 4.3505 8.3400 127.2728 62.4315 31.9462 176.0266 112 S 4.2740 8.9152 122.8878 58.6258 63.1722 173.9777 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 Q 8.34 4.23 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 2 V 7.27 3.67 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 -0.18 0.00 0.00 0.48 0.00 0.00 3 Q 9.24 4.53 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 4 L 8.50 4.74 0.00 1.48 1.39 0.70 0.49 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 5 V 8.62 4.44 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 0.89 0.00 0.00 0.91 0.00 0.00 6 E 8.86 4.90 0.00 1.96 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 2.56 2.47 0.00 7 S 9.35 4.72 0.00 3.85 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 8 G 8.35 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.50 0.00 2.14 2.13 0.00 3.68 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 1.89 1.84 0.00 10 G 8.04 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 11 L 8.58 4.89 0.00 1.51 1.59 0.92 0.77 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 12 V 8.50 4.60 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.88 0.00 0.00 13 A 8.79 5.08 1.22 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 0.00 0.00 14 P 0.00 4.41 0.00 2.08 2.08 0.00 3.84 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 1.97 0.00 15 S 9.37 4.55 0.00 3.98 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 16 Q 7.42 4.27 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 17 S 8.41 4.99 0.00 3.95 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 18 L 8.86 4.70 0.00 1.56 1.57 0.62 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.18 4.98 0.00 3.66 3.65 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 20 I 8.43 4.84 1.24 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.47 1.08 0.00 0.00 21 T 8.74 5.09 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 1.16 0.00 0.00 22 C 9.40 5.07 0.00 2.59 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.87 4.57 4.20 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 1.17 0.00 0.00 24 V 8.04 4.63 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 0.50 0.00 0.00 0.71 0.00 0.00 25 S 8.38 4.49 0.00 3.81 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 26 G 9.50 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 6.82 4.57 1.39 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.38 0.39 0.00 0.00 28 S 8.36 4.60 0.00 3.92 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 29 L 8.40 4.38 0.00 2.07 1.69 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.96 4.54 0.00 3.92 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 31 R 7.68 4.45 0.00 2.02 2.13 0.00 3.24 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 32 Y 7.67 4.94 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.16 5.19 0.00 2.46 2.34 0.00 0.00 6.58 7.23 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 34 V 8.36 4.73 1.84 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 0.52 0.00 0.00 0.77 0.00 0.00 35 H 9.29 5.14 0.00 2.98 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.53 4.95 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.17 5.09 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 1.29 0.00 0.00 0.89 0.00 0.00 38 R 8.97 5.14 0.00 1.11 1.22 0.00 2.24 0.00 0.00 2.78 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.00 39 Q 9.29 5.54 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 40 S 8.36 4.86 0.00 3.91 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 41 P 0.00 4.28 0.00 2.08 2.17 0.00 3.69 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 2.04 2.11 0.00 42 G 8.02 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.00 4.21 0.00 1.82 2.04 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.39 7.81 44 G 8.01 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 45 L 8.39 5.10 0.00 1.74 1.76 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.05 4.86 0.00 1.90 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 0.00 2.28 2.27 0.00 47 W 9.13 4.72 0.00 3.28 3.16 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 48 L 8.51 4.29 0.00 1.57 1.60 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 G 6.08 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 0.00 0.00 0.00 50 M 7.60 4.88 0.00 2.04 1.65 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.69 0.00 51 I 8.20 5.08 1.88 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 1.29 1.74 0.88 0.00 0.00 52 W 9.69 4.72 0.00 3.27 3.23 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 53 G 9.00 4.38 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 0.00 54 G 8.12 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 0.00 0.00 0.00 55 G 8.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.44 0.00 3.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.44 5.20 1.95 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 1.38 1.06 0.60 0.00 0.00 58 E 9.03 4.99 0.00 2.24 2.16 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 2.46 2.70 0.00 59 Y 8.74 4.93 0.00 2.89 2.85 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 60 N 9.39 4.95 0.00 3.13 2.83 0.00 0.00 7.16 7.54 0.00 0.00 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 P 0.00 4.20 0.00 2.33 2.43 0.00 4.04 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 62 A 7.67 3.96 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 63 L 7.97 4.58 0.00 1.78 1.70 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.32 3.68 0.00 1.98 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.23 7.81 65 S 8.05 3.89 0.00 3.98 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 66 R 8.21 4.37 0.00 1.86 2.12 0.00 3.11 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 67 L 7.01 5.12 0.00 1.63 1.73 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.91 4.70 0.00 3.85 3.66 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 0.00 0.00 0.00 0.00 69 I 9.17 5.27 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 1.07 0.00 0.00 70 S 8.94 4.91 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 71 K 8.45 5.07 0.00 1.90 1.85 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.49 7.81 72 D 9.25 4.65 0.00 2.96 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 73 N 8.97 4.43 0.00 2.82 2.88 0.00 0.00 6.79 7.57 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 74 S 7.97 4.11 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 75 K 7.43 4.36 0.00 1.89 1.91 0.00 2.08 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.42 7.81 76 S 7.91 3.73 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.79 4.99 0.00 1.85 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.40 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.53 0.00 78 I 7.95 4.71 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.52 1.05 0.00 0.00 79 F 9.17 5.56 0.00 2.98 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 80 L 8.37 4.91 0.00 0.27 0.13 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.87 4.80 0.00 1.73 1.53 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.44 7.81 82 M 8.55 5.22 0.00 2.01 1.75 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 82A N 9.00 4.84 0.00 2.57 2.68 0.00 0.00 7.29 7.15 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 82B S 8.28 3.95 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82C L 8.14 4.27 0.00 1.68 1.57 0.85 0.62 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 83 Q 8.68 4.87 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 84 T 8.44 3.86 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 85 D 7.53 4.65 0.00 2.88 2.82 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 0.00 0.00 0.00 86 D 7.69 4.90 0.00 2.96 2.82 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 0.00 0.00 0.00 87 S 8.14 4.54 0.00 3.79 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 88 A 8.57 4.34 1.06 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 0.00 0.00 89 M 8.45 4.64 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.24 0.00 90 Y 9.06 4.85 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 9.69 5.70 0.00 2.70 2.53 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 0.00 0.00 0.00 0.00 92 C 9.42 4.75 0.00 1.96 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 93 V 8.04 4.48 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.83 0.00 0.00 94 S 8.52 5.68 0.00 3.79 3.69 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 0.00 95 Y 8.62 4.73 0.00 2.53 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 0.00 0.00 0.00 96 G 6.93 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 0.00 0.00 0.00 97 Y 8.41 4.64 0.00 2.95 2.93 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 98 G 8.43 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 99 G 7.91 4.70 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 0.00 0.00 0.00 100 D 8.79 4.67 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100A R 7.66 4.53 0.00 1.28 1.25 0.00 3.12 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 100B F 8.53 4.77 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.67 4.80 0.00 3.84 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.40 4.64 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 103 W 8.87 4.69 0.00 3.35 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.59 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 0.00 105 Q 8.61 4.32 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.32 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 106 G 9.79 3.67 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 0.00 0.00 0.00 107 T 8.36 4.54 4.42 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 1.27 0.00 0.00 108 L 8.70 4.44 0.00 1.68 1.57 0.94 0.94 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 0.00 109 V 8.89 4.43 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 0.82 0.00 0.00 0.62 0.00 0.00 110 T 8.80 4.37 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 1.22 0.00 0.00 111 V 8.34 4.35 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 0.75 0.00 0.00 0.97 0.00 0.00 112 S 8.92 4.27 0.00 3.89 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