NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 3.8637 8.0549 120.3957 62.9552 32.3958 174.9413 6 E 4.2779 8.4693 125.0794 55.1002 30.1945 173.9431 7 H 3.7744 8.5304 121.3297 56.1664 30.6327 173.4254 8 P 4.2647 0.0000 0.0000 66.1852 30.9620 178.2698 9 E 3.9828 8.3915 116.4197 59.0493 29.5580 179.0907 10 F 3.7768 8.4430 118.3328 60.2381 38.5774 177.5393 11 L 4.1879 7.3087 117.5660 57.7306 41.5252 179.1632 12 K 4.2514 7.7903 116.2088 56.7850 32.5956 176.9239 13 A 4.7764 7.6676 123.5679 52.1928 19.8101 177.7077 14 G 4.5952 9.4357 109.4038 46.4681 0.0000 175.2989 15 K 4.2639 7.7978 121.8731 58.7400 32.1813 176.9398 16 E 4.7514 7.7247 113.5153 53.9759 32.3587 172.7852 17 P 4.4249 0.0000 0.0000 62.6631 32.0331 176.5571 18 G 4.2204 7.0835 107.6759 43.6343 0.0000 171.3336 19 L 5.1130 7.8184 121.4166 53.1860 44.6078 175.6266 20 Q 4.6448 9.0869 124.4347 53.0841 32.7283 174.6169 21 I 4.8591 7.2797 121.5696 59.4712 41.3431 174.2256 22 W 5.3817 9.7269 126.5497 54.8839 33.1500 174.2514 23 R 4.7130 9.1497 122.8577 54.3479 32.2274 175.2049 24 V 4.2878 8.4586 126.8359 62.9074 32.4351 175.3553 25 E 4.3171 8.8367 127.4721 55.0492 31.7741 175.9867 26 K 3.4300 9.0433 125.8686 57.6545 29.0904 176.1593 27 F 3.9826 7.6639 111.2215 58.1002 37.2731 174.9199 28 D 5.1070 7.9083 119.7633 52.3422 43.7779 174.7895 29 L 4.5326 7.9592 122.8843 53.3773 42.5209 176.0331 30 V 4.6308 8.6590 125.6819 59.9724 33.7076 173.3260 31 P 4.7980 0.0000 0.0000 63.0694 32.0266 175.8730 32 V 4.1371 8.5234 123.2333 61.4411 32.5435 174.1292 33 P 4.2406 0.0000 0.0000 63.1780 31.8177 177.3942 34 T 2.4800 8.4073 113.2716 63.9367 68.6211 175.7171 35 C 4.1792 7.7960 115.6465 59.9236 30.3970 174.0167 36 L 4.4540 7.9499 120.2152 54.4076 41.6478 175.6055 37 Y 4.2861 7.4312 117.6609 59.4202 38.2324 177.0079 38 G 3.2260 8.3006 112.7977 44.9530 0.0000 172.4878 39 D 4.5487 6.7843 118.5923 53.1995 40.1954 175.6113 40 F 4.3156 8.5466 124.8628 55.0675 41.0701 175.6083 41 F 5.8534 8.9965 123.9326 58.0323 39.5039 176.4944 42 T 4.3995 9.4270 114.3940 63.2061 70.1526 175.7029 43 G 4.2424 8.5466 110.1462 46.3746 0.0000 172.8436 44 D 5.5229 8.6571 119.3139 52.1820 45.6014 174.3532 45 A 5.5571 8.4467 120.5471 50.7218 22.4534 174.8435 46 Y 5.3737 9.5663 117.0008 56.3635 43.2202 174.4935 47 V 5.1209 9.4390 121.4814 61.4817 34.4550 174.2088 48 I 5.1732 9.6015 129.1921 59.5807 40.0866 174.1393 49 L 5.2030 9.2048 129.8259 53.3288 44.3998 174.8728 50 K 4.6945 9.3426 129.1459 55.3060 33.5241 175.0291 51 T 4.8260 8.5836 126.0961 62.4439 70.0357 174.1786 52 V 4.4302 8.2185 127.1275 60.7862 34.1947 174.4039 53 Q 4.3476 8.5868 129.1983 56.0251 29.6175 175.4172 54 L 4.5743 8.4770 127.0955 53.3317 43.4086 178.2857 55 R 3.9643 8.5885 117.2063 59.1826 29.5485 178.0201 56 N 4.3697 8.0240 115.1101 54.0893 37.6298 174.8248 57 G 4.0687 7.7421 108.6761 45.9676 0.0000 174.2041 58 N 4.5383 8.0874 117.6642 53.5083 40.3346 173.7981 59 L 4.8684 8.1651 122.8848 53.3137 43.8197 175.7070 60 Q 4.3458 8.8620 123.9762 54.9571 31.4276 173.7970 61 Y 5.5178 8.3595 121.7487 56.3869 41.8150 173.9921 62 D 5.5731 9.2179 123.4765 52.4122 44.7980 174.4030 63 L 5.3482 9.6180 125.8630 53.6896 44.8240 174.5150 64 H 5.6165 9.8782 124.2184 54.1348 32.0780 172.3380 65 Y 5.3361 9.3635 122.1845 55.1463 40.2173 174.2378 66 W 4.7854 9.4307 135.0000 55.5561 32.9696 174.5108 67 L 4.5940 7.9217 127.9185 52.4214 43.4263 176.4087 68 G 3.5001 8.4015 112.3398 45.7402 0.0000 173.5614 69 N 4.2664 9.1691 121.8789 55.7811 39.0268 175.6026 70 E 4.6341 8.3187 115.6163 55.7667 30.1452 175.7969 71 C 4.9651 7.9616 113.8131 57.4135 30.5117 173.8003 72 S 4.4222 8.5628 116.6197 57.6260 63.9370 174.8401 73 Q 3.9817 8.8961 122.3944 59.7070 28.5962 178.6927 74 D 4.0714 7.6627 119.3877 56.2895 39.1773 178.4137 75 E 3.8336 7.8033 120.1949 59.1190 29.5182 179.4082 76 S 4.3132 7.9823 114.0519 61.2867 63.2138 176.6137 77 G 3.5181 8.2718 109.2370 47.5053 0.0000 175.6633 78 A 3.6927 8.0748 122.9849 54.4954 18.3518 179.6575 79 A 4.1003 8.1580 119.2564 55.2545 18.6427 179.6409 80 A 2.9033 7.7996 119.2752 55.0074 18.3346 180.0208 81 I 3.5066 7.4399 118.0834 64.6652 37.1978 178.4840 82 F 4.4848 8.2829 118.8448 61.2113 38.6314 178.0682 83 T 3.8337 7.8547 115.0697 66.5842 68.1669 176.8394 84 V 3.5614 7.4563 119.6842 66.1696 31.5541 178.1234 85 Q 4.1180 8.3922 117.9169 59.0197 28.6728 178.7519 86 L 3.5217 8.3391 120.5425 57.3838 41.4547 178.9676 87 D 4.2771 8.2429 118.1331 57.5153 41.3267 177.9443 88 D 4.3907 8.3904 119.6098 57.7569 40.6287 178.2946 89 Y 4.1623 8.1140 118.7321 60.0558 39.0694 176.7821 90 L 4.4395 7.8057 118.8850 54.3097 42.5926 176.5260 91 N 3.9778 8.5867 113.2029 54.4656 36.5629 175.3531 92 G 3.9442 8.4831 103.7455 46.5076 0.0000 175.6795 93 R 4.2557 7.9445 117.7611 56.7204 30.6590 176.4939 94 A 4.8773 8.0113 120.7145 51.1103 19.8929 177.2624 95 V 3.9408 8.6694 122.5609 62.5879 32.9741 174.8271 96 Q 5.0240 8.6017 126.7074 55.1886 30.3354 174.7898 97 H 4.8585 9.6524 120.3934 53.9493 32.9618 172.5375 98 R 3.0386 8.5464 123.8957 55.2009 30.6701 175.1059 99 E 4.3854 8.7875 127.6809 54.5828 31.6711 175.2635 100 V 4.0915 7.9326 124.6970 60.4140 33.9281 174.8111 101 Q 4.1495 7.4321 128.5568 58.1435 29.0482 177.2710 102 G 4.0030 10.4171 113.0528 45.9107 0.0000 174.0855 103 F 4.8170 8.3012 116.7601 57.1776 40.9204 174.5269 104 E 4.3384 8.4656 120.4479 56.0889 30.0655 177.8733 105 S 4.3370 9.0731 118.1192 58.5669 64.9523 175.6803 106 A 4.0170 8.5376 124.5260 55.4346 17.9189 180.2717 107 T 3.6883 7.7769 113.2247 66.7864 68.9440 175.9250 108 F 3.0775 7.9154 122.2601 61.0600 39.3788 177.1567 109 L 4.2070 8.2140 118.6916 57.6811 41.1663 179.6647 110 G 3.7014 8.3619 105.0924 47.7114 0.0000 174.9616 111 Y 4.4636 7.2275 117.7880 58.8653 38.0350 175.6256 112 F 4.6116 7.5875 119.2491 55.3392 39.3606 176.5379 113 K 3.9402 8.7483 126.4097 59.4572 31.9948 178.5664 114 S 4.4603 8.0711 110.6153 57.8960 63.0911 172.2081 115 G 4.1017 7.9584 112.6478 45.6476 0.0000 174.0541 116 L 4.0854 8.1266 122.7703 55.1488 41.7264 175.9907 117 K 4.4053 8.7181 121.9160 54.8501 35.5536 174.1866 118 Y 5.6791 8.2302 123.2260 56.6083 40.0285 175.2030 119 K 4.7949 9.3407 121.9864 54.9674 36.2281 175.9856 120 K 4.5229 8.3214 122.6395 57.4183 33.0708 176.8283 121 G 3.7479 8.6560 107.6580 44.8803 0.0000 172.2341 122 G 3.2527 7.3879 106.1178 43.5746 0.0000 172.8448 123 V 3.7640 7.5743 119.9197 60.5859 32.3362 176.1224 124 A 4.1224 8.1168 124.7119 51.5427 19.0318 177.4456 125 S 3.9903 8.4381 114.5502 58.6489 62.7786 174.9959 126 G 3.4556 8.4297 114.4796 46.7452 0.0000 173.9761 127 F 4.8933 7.6865 123.5798 58.1635 38.8457 174.9495 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 5 V 8.05 3.86 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.74 0.00 0.00 6 E 8.47 4.28 0.00 2.00 1.89 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 2.22 2.35 0.00 7 H 8.53 3.77 0.00 2.69 2.67 0.00 5.70 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.26 0.00 2.19 2.12 0.00 3.21 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 2.02 2.14 0.00 9 E 8.39 3.98 0.00 1.95 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 0.00 2.59 2.59 0.00 10 F 8.44 3.78 0.00 2.61 1.73 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 11 L 7.31 4.19 0.00 1.74 1.83 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.79 4.25 0.00 2.03 2.01 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.51 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.72 7.81 13 A 7.67 4.78 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 14 G 9.44 4.60 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 15 K 7.80 4.26 0.00 1.84 1.96 0.00 1.92 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.61 7.81 16 E 7.72 4.75 0.00 2.03 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 2.21 2.35 0.00 17 P 0.00 4.42 0.00 2.03 1.99 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 18 G 7.08 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 0.00 0.00 0.00 0.00 19 L 7.82 5.11 0.00 1.39 1.48 0.45 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 9.09 4.64 0.00 1.52 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.54 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 21 I 7.28 4.86 0.90 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.09 0.96 0.00 0.00 22 W 9.73 5.38 0.00 3.28 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 23 R 9.15 4.71 0.00 1.84 1.94 0.00 3.22 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.00 24 V 8.46 4.29 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 0.84 0.00 0.00 1.22 0.00 0.00 25 E 8.84 4.32 0.00 2.05 1.81 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 2.18 2.41 0.00 26 K 9.04 3.43 0.00 1.90 1.89 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.34 7.81 27 F 7.66 3.98 0.00 3.24 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 28 D 7.91 5.11 0.00 2.86 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 29 L 7.96 4.53 0.00 0.81 1.14 -0.17 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.66 4.63 2.30 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 1.08 0.00 0.00 1.02 0.00 0.00 31 P 0.00 4.80 0.00 2.15 2.13 0.00 3.96 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 2.09 2.26 0.00 32 V 8.52 4.14 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 0.91 0.00 0.00 1.22 0.00 0.00 33 P 0.00 4.24 0.00 2.21 1.98 0.00 3.75 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 2.16 2.13 0.00 34 T 8.41 2.48 3.70 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 0.70 0.00 0.00 35 C 7.80 4.18 0.00 3.02 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 36 L 7.95 4.45 0.00 1.70 1.61 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.43 4.29 0.00 2.93 2.86 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 38 G 8.30 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 0.00 0.00 0.00 39 D 6.78 4.55 0.00 2.54 2.29 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 40 F 8.55 4.32 0.00 2.47 1.88 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 41 F 9.00 5.85 0.00 3.39 3.28 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 0.00 0.00 0.00 0.00 42 T 9.43 4.40 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 1.35 0.00 0.00 43 G 8.55 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 0.00 0.00 0.00 0.00 44 D 8.66 5.52 0.00 3.12 2.40 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 0.00 45 A 8.45 5.56 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 46 Y 9.57 5.37 0.00 3.31 3.30 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 47 V 9.44 5.12 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 1.23 0.00 0.00 1.16 0.00 0.00 48 I 9.60 5.17 2.47 0.00 0.00 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 1.72 0.82 1.24 0.00 0.00 49 L 9.20 5.20 0.00 2.08 1.84 1.19 0.71 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 50 K 9.34 4.69 0.00 1.35 1.66 0.00 1.44 0.00 0.00 0.88 0.00 0.00 2.61 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.35 1.19 7.81 51 T 8.58 4.83 4.41 0.00 0.00 0.00 0.00 0.00 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 52 V 8.22 4.43 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 0.89 0.00 0.00 0.88 0.00 0.00 53 Q 8.59 4.35 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 54 L 8.48 4.57 0.00 1.89 1.53 0.85 0.72 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 55 R 8.59 3.96 0.00 1.91 2.06 0.00 3.03 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 56 N 8.02 4.37 0.00 2.85 2.99 0.00 0.00 6.19 7.00 0.00 0.00 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 G 7.74 4.07 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 0.00 0.00 0.00 58 N 8.09 4.54 0.00 2.77 2.66 0.00 0.00 7.14 6.66 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 59 L 8.17 4.87 0.00 1.02 1.22 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.86 4.35 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 61 Y 8.36 5.52 0.00 3.07 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 62 D 9.22 5.57 0.00 2.85 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 63 L 9.62 5.35 0.00 1.92 1.63 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 64 H 9.88 5.62 0.00 3.45 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 9.36 5.34 0.00 3.14 3.11 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 66 W 9.43 4.79 0.00 3.11 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 67 L 7.92 4.59 0.00 1.18 1.33 0.86 0.83 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 68 G 8.40 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.17 4.27 0.00 2.53 2.81 0.00 0.00 6.99 7.38 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 70 E 8.32 4.63 0.00 2.02 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 2.25 2.25 0.00 71 C 7.96 4.97 0.00 3.25 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 72 S 8.56 4.42 0.00 4.10 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 73 Q 8.90 3.98 0.00 2.23 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.93 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 74 D 7.66 4.07 0.00 1.89 1.54 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 0.00 0.00 0.00 0.00 75 E 7.80 3.83 0.00 2.10 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 2.15 2.06 0.00 76 S 7.98 4.31 0.00 4.05 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 77 G 8.27 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 3.69 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 79 A 8.16 4.10 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 2.90 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 81 I 7.44 3.51 1.53 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.78 0.00 0.00 82 F 8.28 4.48 0.00 3.07 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 83 T 7.85 3.83 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 1.23 0.00 0.00 84 V 7.46 3.56 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 1.12 0.00 0.00 0.93 0.00 0.00 85 Q 8.39 4.12 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 86 L 8.34 3.52 0.00 1.64 1.40 0.29 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.24 4.28 0.00 2.92 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 88 D 8.39 4.39 0.00 2.98 2.78 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 89 Y 8.11 4.16 0.00 3.31 3.19 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 90 L 7.81 4.44 0.00 1.72 1.33 0.34 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.59 3.98 0.00 2.90 2.90 0.00 0.00 6.86 7.12 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 92 G 8.48 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 93 R 7.94 4.26 0.00 2.21 2.21 0.00 3.25 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 94 A 8.01 4.88 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 95 V 8.67 3.94 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 0.90 0.00 0.00 1.00 0.00 0.00 96 Q 8.60 5.02 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.46 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 97 H 9.65 4.86 0.00 2.92 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.55 3.04 0.00 1.51 1.62 0.00 3.25 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 0.00 99 E 8.79 4.39 0.00 1.54 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 1.96 1.47 0.00 100 V 7.93 4.09 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 0.88 0.00 0.00 0.70 0.00 0.00 101 Q 7.43 4.15 0.00 1.32 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.13 1.41 0.00 102 G 10.42 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 0.00 103 F 8.30 4.82 0.00 2.90 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 0.00 104 E 8.47 4.34 0.00 2.17 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 0.00 2.66 2.61 0.00 105 S 9.07 4.34 0.00 4.07 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 0.00 106 A 8.54 4.02 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 0.00 107 T 7.78 3.69 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 1.24 0.00 0.00 108 F 7.92 3.08 0.00 3.00 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 0.00 109 L 8.21 4.21 0.00 1.88 1.73 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.36 3.70 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 0.00 111 Y 7.23 4.46 0.00 1.59 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 0.00 0.00 0.00 112 F 7.59 4.61 0.00 3.10 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 0.00 113 K 8.75 3.94 0.00 1.71 1.86 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 114 S 8.07 4.46 0.00 3.94 3.92 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 0.00 115 G 7.96 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 0.00 116 L 8.13 4.09 0.00 1.18 1.08 0.79 0.35 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 0.00 117 K 8.72 4.41 0.00 1.62 1.47 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.25 7.81 118 Y 8.23 5.68 0.00 2.98 2.86 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 0.00 119 K 9.34 4.79 0.00 1.73 1.78 0.00 0.85 0.00 0.00 1.36 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 1.16 7.81 120 K 8.32 4.52 0.00 1.78 1.89 0.00 1.89 0.00 0.00 2.47 0.00 0.00 2.80 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.54 1.31 7.81 121 G 8.66 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 0.00 122 G 7.39 3.25 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 0.00 123 V 7.57 3.76 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 0.75 0.00 0.00 0.87 0.00 0.00 124 A 8.12 4.12 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 0.00 125 S 8.44 3.99 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 0.00 126 G 8.43 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 0.00 127 F 7.69 4.89 0.00 3.09 2.86 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