NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4561 8.3049 120.3277 55.3921 33.3063 175.0949 2 E 3.8580 8.6921 120.5216 57.5188 30.5476 173.3035 3 T 3.2600 7.8615 114.6696 62.1543 68.5393 170.6215 4 I 4.9905 8.1079 119.1863 59.1106 41.0281 173.8689 5 A 5.0169 8.4339 122.7426 50.3053 22.3914 175.2052 6 K 4.7804 8.3991 117.4260 55.8831 35.9411 174.8855 7 H 4.7871 9.4681 123.3404 54.9383 31.2335 173.3333 8 R 4.6717 8.6482 125.0159 55.3946 31.8828 176.1219 9 H 4.0470 9.0069 117.7186 56.4991 26.6330 175.2434 10 A 3.9372 8.1502 121.4785 52.6841 18.9093 178.8464 11 R 4.6277 8.2020 119.1752 56.7165 30.9660 175.6801 12 S 4.9675 7.6719 114.4103 56.7231 65.4858 172.9918 13 S 4.1946 8.4428 112.0211 60.5100 63.8637 173.7464 14 A 4.2004 8.4630 126.5632 52.4611 15.2593 179.0610 15 Q 3.9473 8.1092 115.5952 59.0804 29.1892 178.6257 16 K 4.2000 7.8487 115.5586 58.5322 32.9379 178.6209 17 V 3.6287 7.7037 118.5291 65.4873 31.7224 175.7735 18 R 4.2061 8.1588 118.9656 57.3403 28.3761 176.1641 19 L 5.3454 8.1707 133.4265 55.9417 40.8935 175.6169 20 V 3.4594 7.2944 117.3925 65.9216 31.6900 177.8411 21 A 4.0010 8.3649 120.9660 55.5882 18.0104 179.1767 22 D 4.4451 7.5624 114.6595 56.4841 40.9255 178.2607 23 L 4.2204 7.8960 119.1123 56.6618 42.0293 178.1949 24 I 4.1951 7.7592 119.4913 61.3871 37.8027 176.0209 25 R 3.9465 7.7341 118.7637 58.0813 29.9677 176.1618 26 G 3.9319 8.8555 112.3783 45.9052 0.0000 173.6750 27 K 4.3108 7.8448 119.4540 55.0266 33.3605 176.5038 28 K 4.3738 8.5594 121.0076 56.7772 32.8763 178.5058 29 V 3.5253 8.7306 125.4360 66.8744 31.4571 176.9790 30 S 4.0616 8.3177 112.1707 61.3554 61.9682 175.3882 31 Q 3.9464 8.8247 121.1712 59.7750 28.9842 178.6793 32 A 3.8803 8.0757 120.5750 55.6480 18.1289 179.1807 33 L 3.9201 7.8670 116.3832 58.5167 42.1268 179.4605 34 D 4.5878 8.1326 118.0444 57.2195 40.8318 178.7518 35 I 3.6756 8.1522 119.8675 64.7379 37.0539 177.8433 36 L 3.9808 8.2741 119.6482 58.7120 41.3565 180.1081 37 T 3.8606 8.1940 114.2585 65.5678 68.2893 174.9759 38 Y 4.4613 7.7175 116.3906 57.6883 38.3770 175.0260 39 T 4.5348 7.5008 117.5241 62.2054 69.7616 175.4236 40 N 4.7205 8.4754 125.9230 51.2804 37.4039 173.2191 41 K 4.5048 7.8989 119.1717 53.9962 36.8052 177.2480 42 K 3.9529 8.9187 125.0324 59.6966 32.2671 177.9672 43 A 3.9824 8.0885 120.3062 54.9098 18.2920 179.0679 44 A 3.9267 8.8077 120.4738 55.5305 18.3955 180.3525 45 V 3.4984 7.6773 110.0916 64.5419 31.8406 178.2888 46 L 3.9862 7.8032 119.0522 58.1299 41.4546 180.0766 47 V 3.8519 8.0475 118.6220 64.0571 31.6054 178.2713 48 K 3.8944 7.9903 120.3243 59.4256 32.0892 178.6395 49 K 3.8142 8.1636 118.7333 59.5934 31.8772 179.4571 50 V 3.5181 7.3563 116.7963 65.9942 31.5502 177.5708 51 L 3.8629 8.6933 121.0828 58.5577 41.6459 179.0306 52 E 3.9020 8.4393 118.2210 59.4885 29.4904 178.8303 53 S 4.0316 8.0764 112.8669 61.7726 62.2256 175.8305 54 A 3.9587 8.6733 123.3131 55.2578 18.1325 179.2439 55 I 3.5989 8.0765 117.2356 65.0418 37.2687 177.7444 56 A 3.9308 8.3036 120.8722 55.5120 18.0674 179.0766 57 N 4.1069 8.8328 113.3828 56.4449 38.7226 177.4530 58 A 3.9455 8.2993 121.9802 55.1497 18.3179 179.3001 59 E 3.8197 7.8805 116.1482 59.7172 29.9048 178.2097 60 H 4.2467 8.2315 116.9525 59.3930 30.1486 175.9936 61 N 4.7545 8.0442 115.9985 54.6837 39.7987 175.2417 62 D 4.6019 7.6290 120.7887 52.6744 41.5519 175.1921 63 G 3.4568 8.2480 108.5662 46.8076 0.0000 176.8749 64 A 3.6808 7.5645 124.7770 50.5221 16.4469 177.3633 65 D 4.3058 8.6049 106.3686 55.4913 38.5972 174.8504 66 I 4.1052 7.7467 111.1678 61.3815 38.3832 177.9319 67 D 4.3233 8.0266 121.5712 57.2844 40.6809 176.5911 68 D 4.6609 7.6538 121.7046 52.1663 39.0045 174.8617 69 L 4.5703 7.6647 123.7859 54.3454 45.7269 173.2090 70 K 5.1649 9.4878 126.3520 54.2984 36.6471 176.3174 71 V 4.2903 8.5851 123.7655 62.1563 30.5541 176.5567 72 T 4.1478 8.4961 118.3058 64.1285 69.4540 175.1821 73 K 4.7517 8.2962 122.0664 55.0478 36.9119 175.1863 74 I 4.9235 8.2582 124.5963 59.8403 40.9319 173.7982 75 F 4.8144 8.4234 120.6413 56.0603 41.5109 172.9202 76 V 4.6385 8.7202 123.1573 59.9029 33.3637 174.6162 77 D 5.2325 8.6222 124.5192 51.9016 44.1353 175.3757 78 E 4.1578 8.8089 120.6588 56.7837 30.2038 177.0542 79 G 3.9019 8.2760 113.6670 44.3748 0.0000 171.0712 80 P 4.8164 0.0000 0.0000 62.5351 33.4574 175.1537 81 S 5.0449 8.3163 114.9847 56.8961 66.5714 173.3859 82 M 4.3496 8.9705 124.8529 54.9377 33.0856 175.2903 83 K 4.9236 8.6726 123.2167 55.0317 34.0158 175.5187 84 R 4.9304 8.6121 126.7968 55.2842 33.7313 174.5834 85 I 5.3303 8.1751 120.7794 61.2250 41.5287 174.0851 86 M 4.5649 8.6557 127.1680 53.2997 33.8501 173.0403 87 P 4.7138 0.0000 0.0000 62.8327 32.5030 175.2927 88 R 4.8011 9.0265 123.0366 53.8516 34.0328 174.3679 89 A 4.0862 8.4459 122.0336 53.1848 18.7622 178.3585 90 K 3.8990 9.5311 117.4343 56.6768 30.0070 176.5666 91 G 4.1061 7.6691 105.9764 45.4366 0.0000 175.0654 92 R 4.1223 7.9263 119.8951 56.3872 30.9409 175.7646 93 A 5.1830 8.5900 124.6418 50.4419 21.9508 175.0132 94 D 4.8656 8.6981 119.3141 52.7170 44.6794 177.3420 95 R 3.9357 8.8413 119.0152 58.5398 30.6261 174.5728 96 I 2.9771 7.6099 111.0203 61.1002 37.9739 172.0725 97 L 4.9499 8.3296 123.4183 52.6848 43.7810 176.4814 98 K 4.2626 9.2051 125.7078 55.8762 32.5714 176.8652 99 R 4.8080 8.7338 124.4148 54.7928 31.6066 176.2411 100 T 5.2752 8.3918 110.8672 58.8367 72.5857 172.8331 101 S 5.0199 9.1001 117.2206 56.9855 67.0432 172.8437 102 H 5.2507 9.2015 119.8195 54.7123 29.7798 174.1114 103 I 4.4188 8.6489 126.0075 60.6907 38.8425 175.4505 104 T 4.6527 7.9236 121.4254 61.5285 72.2043 172.9557 105 V 4.7686 8.6604 125.8918 60.9644 34.6581 174.1588 106 V 4.8731 9.9040 128.1299 60.9880 34.1958 174.4794 107 V 5.0163 8.4190 126.7531 60.3236 34.0749 175.2351 108 S 4.5239 8.7752 118.2030 57.6744 65.2446 173.5684 109 D 4.9967 8.6890 117.8649 53.2825 40.3240 175.5680 110 R 4.1569 7.6959 124.2412 56.7256 30.3733 174.3730 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 M 8.30 4.46 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 E 8.69 3.86 0.00 2.05 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 2.30 2.37 0.00 3 T 7.86 3.26 4.53 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 1.26 0.00 0.00 4 I 8.11 4.99 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.12 0.95 0.00 0.00 5 A 8.43 5.02 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 0.00 0.00 6 K 8.40 4.78 0.00 1.82 1.65 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.39 7.81 7 H 9.47 4.79 0.00 3.12 3.15 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.65 4.67 0.00 1.64 1.51 0.00 3.32 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 9 H 9.01 4.05 0.00 3.34 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.15 3.94 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 11 R 8.20 4.63 0.00 1.80 1.94 0.00 3.17 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 12 S 7.67 4.97 0.00 3.78 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 13 S 8.44 4.19 0.00 4.00 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 14 A 8.46 4.20 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 15 Q 8.11 3.95 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 16 K 7.85 4.20 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.36 7.81 17 V 7.70 3.63 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 1.06 0.00 0.00 0.90 0.00 0.00 18 R 8.16 4.21 0.00 1.95 1.99 0.00 3.26 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 19 L 8.17 5.35 0.00 1.90 1.78 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.29 3.46 2.20 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 1.00 0.00 0.00 0.97 0.00 0.00 21 A 8.36 4.00 1.36 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 22 D 7.56 4.45 0.00 2.50 2.76 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 0.00 23 L 7.90 4.22 0.00 1.74 1.74 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.76 4.20 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 0.93 0.00 0.00 25 R 7.73 3.95 0.00 1.79 1.91 0.00 3.37 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 26 G 8.86 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 27 K 7.84 4.31 0.00 1.97 1.74 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.70 7.81 28 K 8.56 4.37 0.00 1.80 1.76 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.50 7.81 29 V 8.73 3.53 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 1.00 0.00 0.00 0.94 0.00 0.00 30 S 8.32 4.06 0.00 3.93 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 0.00 31 Q 8.82 3.95 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 32 A 8.08 3.88 1.41 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 0.00 0.00 33 L 7.87 3.92 0.00 1.96 1.81 0.93 1.17 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 34 D 8.13 4.59 0.00 2.91 2.72 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 35 I 8.15 3.68 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.14 0.94 0.00 0.00 36 L 8.27 3.98 0.00 2.00 1.75 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.19 3.86 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 0.69 0.00 0.00 38 Y 7.72 4.46 0.00 2.98 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 39 T 7.50 4.53 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 1.22 0.00 0.00 40 N 8.48 4.72 0.00 2.71 2.77 0.00 0.00 6.95 7.61 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 41 K 7.90 4.50 0.00 1.72 1.65 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.37 7.81 42 K 8.92 3.95 0.00 1.86 1.80 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.61 7.81 43 A 8.09 3.98 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 44 A 8.81 3.93 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 45 V 7.68 3.50 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 0.85 0.00 0.00 0.92 0.00 0.00 46 L 7.80 3.99 0.00 1.84 1.75 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.05 3.85 2.07 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 0.92 0.00 0.00 0.92 0.00 0.00 48 K 7.99 3.89 0.00 2.06 1.92 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.62 7.81 49 K 8.16 3.81 0.00 2.11 1.85 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 50 V 7.36 3.52 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 0.96 0.00 0.00 0.99 0.00 0.00 51 L 8.69 3.86 0.00 1.73 1.86 0.93 -0.07 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 52 E 8.44 3.90 0.00 2.25 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 0.00 2.32 2.52 0.00 53 S 8.08 4.03 0.00 3.87 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 54 A 8.67 3.96 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 55 I 8.08 3.60 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.92 0.00 0.00 56 A 8.30 3.93 1.37 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 0.00 0.00 57 N 8.83 4.11 0.00 2.97 2.93 0.00 0.00 7.05 7.29 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 58 A 8.30 3.95 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 59 E 7.88 3.82 0.00 2.00 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 0.00 2.34 2.32 0.00 60 H 8.23 4.25 0.00 3.18 3.30 0.00 5.80 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 61 N 8.04 4.75 0.00 3.11 2.88 0.00 0.00 6.88 8.20 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 62 D 7.63 4.60 0.00 2.71 2.38 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 63 G 8.25 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 64 A 7.56 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.60 4.31 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 66 I 7.75 4.11 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.99 0.92 0.00 0.00 67 D 8.03 4.32 0.00 2.82 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 68 D 7.65 4.66 0.00 2.78 2.72 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 69 L 7.66 4.57 0.00 1.74 1.50 0.94 0.58 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 70 K 9.49 5.16 0.00 1.69 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 71 V 8.59 4.29 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 0.86 0.00 0.00 0.99 0.00 0.00 72 T 8.50 4.15 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 1.27 0.00 0.00 73 K 8.30 4.75 0.00 1.75 1.88 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.57 7.81 74 I 8.26 4.92 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.96 0.00 0.00 75 F 8.42 4.81 0.00 3.11 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 76 V 8.72 4.64 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 0.77 0.00 0.00 0.90 0.00 0.00 77 D 8.62 5.23 0.00 2.71 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 78 E 8.81 4.16 0.00 1.94 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 0.00 2.28 2.31 0.00 79 G 8.28 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 80 P 0.00 4.82 0.00 2.15 2.23 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 81 S 8.32 5.04 0.00 3.75 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 82 M 8.97 4.35 0.00 1.97 1.98 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 2.61 2.51 0.00 83 K 8.67 4.92 0.00 1.61 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 84 R 8.61 4.93 0.00 1.63 1.80 0.00 3.31 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 85 I 8.18 5.33 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.82 0.91 0.00 0.00 86 M 8.66 4.56 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 87 P 0.00 4.71 0.00 2.09 2.03 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 88 R 9.03 4.80 0.00 1.90 1.83 0.00 3.14 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 89 A 8.45 4.09 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 0.00 0.00 90 K 9.53 3.90 0.00 1.92 1.94 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.42 7.81 91 G 7.67 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 0.00 0.00 0.00 92 R 7.93 4.12 0.00 1.73 1.87 0.00 3.22 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 93 A 8.59 5.18 1.20 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 0.00 0.00 0.00 94 D 8.70 4.87 0.00 2.61 2.57 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 95 R 8.84 3.94 0.00 1.74 1.93 0.00 3.43 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 96 I 7.61 2.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.45 0.91 0.00 0.00 97 L 8.33 4.95 0.00 1.51 1.62 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.21 4.26 0.00 1.66 1.76 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.41 7.81 99 R 8.73 4.81 0.00 1.68 1.83 0.00 3.19 0.00 0.00 3.92 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 100 T 8.39 5.28 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 1.29 0.00 0.00 101 S 9.10 5.02 0.00 3.75 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 0.00 102 H 9.20 5.25 0.00 3.09 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.65 4.42 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.84 0.00 0.00 104 T 7.92 4.65 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 1.00 0.00 0.00 105 V 8.66 4.77 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 0.95 0.00 0.00 0.90 0.00 0.00 106 V 9.90 4.87 2.24 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 0.99 0.00 0.00 1.08 0.00 0.00 107 V 8.42 5.02 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 0.83 0.00 0.00 0.96 0.00 0.00 108 S 8.78 4.52 0.00 4.17 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 0.00 109 D 8.69 5.00 0.00 2.74 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 0.00 110 R 7.70 4.16 0.00 1.79 1.77 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00