NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4310 8.3349 115.4055 58.1643 64.1450 175.5905 4 V 4.2260 8.2197 111.3861 56.2171 33.7244 172.6197 5 P 4.1620 0.0000 0.0000 62.6617 32.1787 174.0422 6 P 5.1540 0.0000 0.0000 61.7677 32.2359 175.7865 7 G 4.1785 8.3994 106.9883 45.7194 0.0000 172.7962 8 D 5.3745 8.6726 119.7625 52.6578 41.5445 175.1587 9 I 4.8034 8.0103 111.9649 59.1036 40.8417 174.1234 10 N 5.1219 8.9283 120.2824 51.5897 41.3762 173.9592 11 T 5.6433 8.2832 111.8860 59.0208 72.3812 173.4041 12 Q 4.5015 8.2509 121.0253 53.4029 32.4194 173.3722 13 P 4.8164 0.0000 0.0000 62.1787 32.6159 175.9661 14 G 4.2360 7.9956 106.5251 45.0376 0.0000 172.6102 15 S 4.7972 7.9783 117.0749 59.1125 70.0800 175.1571 16 K 4.4829 7.7629 116.1656 56.8997 35.2572 174.3251 17 I 4.3947 8.2744 119.5433 60.1284 41.5310 173.7489 18 V 4.8527 8.3221 129.3593 61.3762 33.3996 174.5245 19 F 4.8247 9.5921 126.6944 55.9638 41.0815 174.3118 20 N 5.4053 9.3551 121.8970 51.8670 39.9220 175.2601 21 A 3.0785 8.4815 125.6931 50.5124 19.5255 175.0688 22 P 3.9671 0.0000 0.0000 62.0848 32.2425 176.7559 23 Y 4.8324 7.4471 119.4166 57.2310 36.6143 175.9375 24 D 4.8859 7.4872 114.1305 52.3143 40.9165 175.4419 25 D 4.6468 7.8125 116.0610 53.4288 44.2419 174.6055 26 K 4.8892 8.8309 125.9059 57.0368 32.7277 175.2550 27 H 4.7512 9.0804 127.9377 55.3028 32.1527 174.0352 28 T 4.7751 7.7581 120.5483 62.2348 70.4515 173.2365 29 Y 4.5780 9.0622 125.3240 57.2639 40.3643 174.1471 30 H 5.5086 8.7408 116.0511 54.4383 32.9213 173.4527 31 I 4.8593 9.0297 119.9812 59.5726 41.9575 174.2372 32 K 4.8442 8.8203 127.0538 54.8976 34.1766 174.6851 33 I 4.6570 8.8152 129.5646 59.9326 39.5032 174.9596 34 T 4.7323 8.5212 123.0717 61.6555 72.5226 173.0305 35 N 4.8639 9.0435 125.4839 53.0651 38.2456 175.0264 36 A 4.3094 8.5455 127.9561 53.6548 19.2407 177.6450 37 G 3.8528 8.5521 105.0128 45.4528 0.0000 173.6284 38 G 3.8020 8.5775 106.8345 46.9708 0.0000 174.7453 39 R 4.4095 7.5423 117.0839 54.1397 31.6745 175.7268 40 R 4.4321 8.1647 119.1309 57.3304 30.9743 175.4473 41 I 4.7169 8.4345 111.3238 60.0978 41.4770 173.8481 42 G 4.9143 9.8048 110.8288 44.3138 0.0000 171.9397 43 W 6.3000 9.6229 121.3866 55.1591 32.1380 173.9301 44 A 4.9425 10.1665 122.7669 50.7969 22.4644 174.9986 45 I 5.0855 8.5874 121.1451 59.6076 39.5688 175.4358 46 K 4.6779 9.2979 126.9186 55.0837 35.6211 175.5368 47 T 4.8520 8.4728 117.1983 60.5502 71.5534 173.9123 48 T 4.5225 8.4532 115.6620 63.7329 69.7878 174.9736 49 N 4.9336 7.9614 120.7120 51.7990 39.6447 174.1252 50 M 4.0142 8.2876 121.7638 58.0013 32.8225 178.5798 51 R 4.0047 8.1054 116.6708 59.3016 30.8443 177.8354 52 R 4.0089 8.2582 117.7396 58.8099 30.3216 176.4973 53 L 5.4502 7.1544 115.8881 53.6690 43.4869 176.0131 54 G 4.2767 8.2333 104.8076 45.4657 0.0000 172.4695 55 V 5.1373 8.2194 121.9876 59.4849 35.6160 174.0292 56 D 4.8974 7.9971 122.1174 53.4011 44.0653 174.1101 57 P 4.8246 0.0000 0.0000 62.0227 32.4596 174.3986 58 P 4.7514 0.0000 0.0000 64.2454 32.5117 175.3674 59 S 3.0632 7.0546 112.2497 57.5687 65.1507 175.1512 60 G 3.6891 5.3800 107.1987 45.9609 0.0000 171.6403 61 V 5.2461 8.6092 119.1116 61.0707 34.2652 175.3253 62 L 5.1392 8.8957 126.5711 53.1629 45.4404 176.9449 63 D 5.1809 10.5403 124.8469 53.3266 42.3305 174.0724 64 P 4.4628 0.0000 0.0000 63.9318 32.3118 177.1675 65 S 3.8908 9.0325 115.0589 59.0497 61.7010 171.3430 66 E 4.5352 7.6624 122.0133 55.7469 30.9248 175.1120 67 K 5.2159 8.2823 121.1015 55.5454 35.9724 175.4121 68 V 4.5132 9.1378 119.9396 60.0890 35.4938 174.0206 69 L 4.9559 8.5651 123.9263 53.8010 43.4711 175.0677 70 M 4.7236 8.9879 124.5370 53.4510 34.1516 174.6675 71 A 4.9161 8.5528 122.5554 50.5048 21.2145 176.0261 72 V 4.5962 8.6431 123.4151 62.0203 33.6036 175.1029 73 S 5.5267 8.9931 122.6316 57.1239 66.9389 172.9480 74 C 4.9899 8.9678 121.8656 58.1803 34.4350 173.2700 75 D 5.1379 8.8006 126.8355 53.5601 42.0364 175.6695 76 T 4.3240 8.5921 111.8082 62.4235 69.4625 174.1778 77 F 4.7706 7.4271 114.0818 57.4015 41.9121 173.5292 78 N 4.8078 8.6566 111.2049 51.1958 38.5863 175.4275 79 A 4.3371 8.0783 123.8072 54.4045 19.2737 179.4482 80 A 4.1333 8.2104 118.7700 55.4926 18.4789 179.0999 81 T 4.1029 8.3819 105.2212 64.3635 69.4283 175.4532 82 E 4.1153 7.8189 121.3841 55.0547 30.2500 176.1654 83 D 4.5941 8.1623 119.5599 54.3558 41.8556 175.8388 84 L 4.8749 8.2720 121.4729 54.5020 43.8050 176.7482 85 N 4.8479 9.2209 116.0041 53.4974 39.2762 175.2056 86 N 5.0108 8.1154 115.4382 52.9557 39.5838 173.6762 87 D 4.9876 7.9024 117.0359 53.1921 43.5005 175.5750 88 R 4.7035 7.9762 119.5973 55.3119 33.9910 174.0357 89 I 4.5673 9.3233 124.6262 59.5809 40.6456 173.9363 90 C 5.1758 9.6591 128.4183 57.6698 33.9840 172.2365 91 I 4.9690 9.0351 127.4520 59.7009 39.4514 174.2844 92 E 5.8239 9.6107 127.4429 54.5027 32.5155 175.2819 93 W 6.1936 9.3797 119.9495 56.3769 32.3021 173.1786 94 T 4.7016 9.1259 114.7223 60.8414 71.0939 172.7574 95 N 4.9351 8.5960 122.0485 53.1967 39.3858 174.1892 96 T 4.1347 7.7144 109.5581 58.6602 70.9938 172.6791 97 P 4.0554 0.0000 0.0000 63.8311 31.8753 177.8686 98 D 4.3735 8.1608 122.5815 56.8507 41.2626 177.5230 99 G 4.0047 7.8360 106.8814 43.1442 0.0000 171.1979 100 A 4.7938 8.0213 126.2321 50.5443 21.9801 176.1694 101 A 4.7498 8.2938 122.0614 50.3248 20.8116 178.6849 102 K 4.3323 8.4977 121.0223 55.8742 30.1224 175.0691 103 Q 4.4388 8.0848 117.2233 54.7896 31.8700 173.4711 104 F 4.5818 9.2370 128.4477 58.5753 40.1427 174.5038 105 R 3.6128 5.8400 125.3461 53.6296 31.6343 175.7678 106 R 3.7579 8.0171 124.5001 59.5625 30.5883 177.9047 107 E 4.2366 8.0160 118.1915 58.8732 29.1223 179.2537 108 W 4.5806 7.7752 117.5413 59.9855 29.0855 178.2477 109 F 4.2118 8.5434 117.0777 60.1731 38.8504 177.5373 110 Q 4.3358 8.2879 117.3402 58.1599 28.5345 177.5764 111 G 4.0451 7.4478 106.7393 45.2764 0.0000 172.7369 112 D 4.4139 8.5583 119.3650 53.4706 41.3483 177.3869 113 G 3.9259 7.7096 108.9312 45.5717 0.0000 170.9869 114 M 4.4560 7.8279 118.9586 53.7079 33.5073 175.9086 115 V 4.2449 7.9391 121.6092 61.1487 34.5016 174.5392 116 R 4.2251 8.3427 128.1898 54.8628 32.0965 174.8517 117 R 5.9566 7.7079 120.7340 53.7229 34.7902 174.5625 118 K 4.6661 8.6800 119.5149 55.7817 35.7338 173.6405 119 N 5.4841 8.9462 124.5975 51.5488 40.9792 174.1854 120 L 4.7331 8.9843 123.9564 52.3155 44.3564 174.0259 121 P 4.7466 0.0000 0.0000 62.1688 33.3903 175.0056 122 I 4.5856 7.6891 123.1215 60.2372 38.4246 174.6981 123 E 4.4727 9.1108 128.7103 54.5868 31.6289 174.0964 124 Y 5.0757 8.5887 125.3398 57.3287 39.2031 174.3809 125 N 4.9120 10.0644 124.7215 51.9718 40.8398 174.9364 126 L 4.2682 8.5778 125.3545 54.9636 41.9888 176.5554 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 S 8.33 4.43 0.00 3.95 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 4 V 8.22 4.23 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 0.74 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.16 0.00 2.14 2.05 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 6 P 0.00 5.15 0.00 2.14 2.19 0.00 2.98 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 7 G 8.40 4.18 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 0.00 0.00 0.00 8 D 8.67 5.37 0.00 2.87 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 9 I 8.01 4.80 1.37 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 0.39 0.00 0.00 10 N 8.93 5.12 0.00 2.48 2.63 0.00 0.00 6.89 7.01 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 11 T 8.28 5.64 4.33 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 1.04 0.00 0.00 12 Q 8.25 4.50 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 13 P 0.00 4.82 0.00 2.12 2.07 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 14 G 8.00 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 15 S 7.98 4.80 0.00 3.70 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 16 K 7.76 4.48 0.00 1.77 1.75 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.35 7.81 17 I 8.27 4.39 1.83 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.13 1.03 0.00 0.00 18 V 8.32 4.85 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 0.98 0.00 0.00 0.93 0.00 0.00 19 F 9.59 4.82 0.00 2.92 3.34 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 20 N 9.36 5.41 0.00 2.68 2.77 0.00 0.00 7.05 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 21 A 8.48 3.08 0.69 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 0.00 0.00 22 P 0.00 3.97 0.00 2.10 1.91 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 23 Y 7.45 4.83 0.00 2.48 2.23 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 24 D 7.49 4.89 0.00 2.70 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 25 D 7.81 4.65 0.00 2.71 2.58 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 26 K 8.83 4.89 0.00 1.89 1.81 0.00 1.69 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.38 7.81 27 H 9.08 4.75 0.00 3.47 3.41 0.00 5.86 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 28 T 7.76 4.78 4.14 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 1.31 0.00 0.00 29 Y 9.06 4.58 0.00 2.70 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 30 H 8.74 5.51 0.00 2.93 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.03 4.86 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.77 0.88 0.00 0.00 32 K 8.82 4.84 0.00 1.75 1.57 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.33 7.81 33 I 8.82 4.66 1.27 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.36 0.40 0.00 0.00 34 T 8.52 4.73 4.13 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 35 N 9.04 4.86 0.00 2.75 2.79 0.00 0.00 6.75 7.88 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 36 A 8.55 4.31 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 37 G 8.55 3.85 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 0.00 0.00 0.00 38 G 8.58 3.80 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 0.00 0.00 0.00 39 R 7.54 4.41 0.00 1.80 1.84 0.00 3.22 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 40 R 8.16 4.43 0.00 1.65 1.85 0.00 3.18 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 41 I 8.43 4.72 2.27 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 1.11 0.00 0.00 42 G 9.80 4.91 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 43 W 9.62 6.30 0.00 3.59 3.33 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 44 A 10.17 4.94 0.59 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 0.00 0.00 45 I 8.59 5.09 2.10 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 1.54 1.08 1.01 0.00 0.00 46 K 9.30 4.68 0.00 1.73 1.60 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.34 7.81 47 T 8.47 4.85 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 1.22 0.00 0.00 48 T 8.45 4.52 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 1.23 0.00 0.00 49 N 7.96 4.93 0.00 2.60 2.53 0.00 0.00 7.15 7.63 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 50 M 8.29 4.01 0.00 2.03 2.12 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 2.60 2.51 0.00 51 R 8.11 4.00 0.00 1.95 1.96 0.00 3.17 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 R 8.26 4.01 0.00 1.76 1.74 0.00 2.68 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.00 53 L 7.15 5.45 0.00 1.55 1.62 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.23 4.28 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 0.00 0.00 0.00 55 V 8.22 5.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 56 D 8.00 4.90 0.00 2.86 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 57 P 0.00 4.82 0.00 2.31 2.09 0.00 3.92 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.08 0.00 58 P 0.00 4.75 0.00 2.11 2.32 0.00 3.43 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 2.01 2.07 0.00 59 S 7.05 3.06 0.00 2.72 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 60 G 5.38 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 0.00 0.00 0.00 61 V 8.61 5.25 2.21 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 0.95 0.00 0.00 1.23 0.00 0.00 62 L 8.90 5.14 0.00 1.82 1.57 1.44 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 63 D 10.54 5.18 0.00 2.68 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 64 P 0.00 4.46 0.00 2.22 2.33 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 65 S 9.03 3.89 0.00 4.00 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 66 E 7.66 4.54 0.00 2.05 1.92 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 2.32 2.28 0.00 67 K 8.28 5.22 0.00 1.71 1.64 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 68 V 9.14 4.51 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 0.40 0.00 0.00 0.99 0.00 0.00 69 L 8.57 4.96 0.00 1.60 1.60 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 M 8.99 4.72 0.00 1.96 2.29 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 2.51 2.57 0.00 71 A 8.55 4.92 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 72 V 8.64 4.60 2.23 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 1.29 0.00 0.00 0.98 0.00 0.00 73 S 8.99 5.53 0.00 3.89 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 74 C 8.97 4.99 0.00 3.66 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 75 D 8.80 5.14 0.00 2.83 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 76 T 8.59 4.32 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 1.29 0.00 0.00 77 F 7.43 4.77 0.00 3.26 2.97 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 0.00 0.00 0.00 78 N 8.66 4.81 0.00 2.72 2.74 0.00 0.00 6.77 7.89 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 79 A 8.08 4.34 1.39 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 0.00 0.00 0.00 80 A 8.21 4.13 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 81 T 8.38 4.10 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 82 E 7.82 4.12 0.00 1.81 1.83 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 2.32 2.39 0.00 83 D 8.16 4.59 0.00 2.60 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 84 L 8.27 4.87 0.00 1.75 1.72 0.96 0.76 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 85 N 9.22 4.85 0.00 2.66 2.87 0.00 0.00 6.72 7.86 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 86 N 8.12 5.01 0.00 2.66 2.77 0.00 0.00 6.89 8.06 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 87 D 7.90 4.99 0.00 2.53 2.41 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 0.00 88 R 7.98 4.70 0.00 1.88 1.72 0.00 3.20 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 89 I 9.32 4.57 2.00 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 1.12 0.63 0.91 0.00 0.00 90 C 9.66 5.18 0.00 2.97 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 91 I 9.04 4.97 2.08 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.88 0.96 0.00 0.00 92 E 9.61 5.82 0.00 2.14 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 0.00 2.38 2.35 0.00 93 W 9.38 6.19 0.00 3.80 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.13 4.70 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 0.49 0.00 0.00 95 N 8.60 4.94 0.00 2.76 2.64 0.00 0.00 6.43 7.05 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 96 T 7.71 4.13 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 97 P 0.00 4.06 0.00 2.16 2.10 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 98 D 8.16 4.37 0.00 2.66 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 99 G 7.84 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 0.00 100 A 8.02 4.79 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 0.00 101 A 8.29 4.75 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 0.00 102 K 8.50 4.33 0.00 1.82 1.88 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 103 Q 8.08 4.44 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 104 F 9.24 4.58 0.00 2.97 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 0.00 105 R 5.84 3.61 0.00 0.67 0.66 0.00 2.98 0.00 0.00 2.82 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.97 0.00 106 R 8.02 3.76 0.00 1.90 1.86 0.00 3.31 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 107 E 8.02 4.24 0.00 1.74 1.90 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 2.28 2.38 0.00 108 W 7.78 4.58 0.00 3.32 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 0.00 109 F 8.54 4.21 0.00 3.20 3.24 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 0.00 110 Q 8.29 4.34 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 111 G 7.45 4.05 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 0.00 0.00 0.00 112 D 8.56 4.41 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 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 0.00 114 M 7.83 4.46 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 115 V 7.94 4.24 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 0.84 0.00 0.00 0.95 0.00 0.00 116 R 8.34 4.23 0.00 0.67 0.66 0.00 2.71 0.00 0.00 2.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.20 0.00 117 R 7.71 5.96 0.00 1.70 1.87 0.00 3.38 0.00 0.00 3.87 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.00 118 K 8.68 4.67 0.00 2.13 1.73 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.56 7.81 119 N 8.95 5.48 0.00 2.65 2.72 0.00 0.00 6.86 7.85 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 0.00 120 L 8.98 4.73 0.00 1.51 1.55 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.75 0.00 2.07 2.13 0.00 3.86 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 2.03 1.98 0.00 122 I 7.69 4.59 1.50 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.06 -0.36 0.00 0.00 123 E 9.11 4.47 0.00 1.94 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 2.23 2.25 0.00 124 Y 8.59 5.08 0.00 3.03 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 0.00 125 N 10.06 4.91 0.00 2.92 2.82 0.00 0.00 6.70 7.32 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 0.00 126 L 8.58 4.27 0.00 1.72 1.57 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00