NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4501 8.1927 115.4145 57.7637 64.6243 174.2117 3 V 3.3812 8.2028 119.4465 65.2833 31.1070 175.8217 4 Y 4.0137 8.8312 120.1840 60.8028 38.8626 177.1349 5 D 4.2795 7.8595 117.8721 57.4939 40.9384 178.5178 6 A 4.0402 7.8713 120.4232 54.8641 18.4646 179.6232 7 A 3.7630 8.1486 119.3148 55.2335 18.3778 179.6461 8 A 3.8516 7.9700 117.6469 54.2266 18.3495 179.0360 9 Q 4.2391 7.2786 115.3070 57.1281 29.1224 175.6226 10 L 3.7360 7.1933 120.3524 55.3372 41.7851 177.8052 11 T 4.2499 8.1838 114.3779 60.5854 71.4073 175.1817 12 A 3.9273 8.3721 122.5833 55.5090 18.3451 179.6572 13 D 4.2888 7.9451 116.9402 57.3342 40.9310 179.0159 14 V 3.4959 7.4147 117.6498 65.8928 31.5088 178.2647 15 K 3.8273 8.2295 118.5605 59.1015 31.7309 179.2447 16 K 3.9291 8.0123 119.9338 59.7913 32.2010 178.7183 17 D 4.6100 8.0261 118.9484 57.1935 40.5988 178.8480 18 L 3.7534 7.9943 119.6782 57.8955 41.5993 179.8105 19 R 4.0899 8.1813 118.0771 59.3787 28.4009 178.9255 20 D 4.4919 8.5779 119.2908 57.3420 40.8282 178.9639 21 S 3.2075 8.1791 114.9100 60.6791 63.0582 176.3733 22 W 4.3470 8.6858 132.0427 59.9255 30.1896 177.9409 23 K 3.8168 7.9139 118.1828 59.6939 31.7928 178.8629 24 V 3.7303 7.2135 117.3114 65.6038 31.4223 178.0085 25 I 3.4684 7.7193 119.3155 64.3181 37.1353 178.6663 26 G 2.0000 7.1140 107.5116 46.4166 0.0000 174.5099 27 S 4.1027 7.1863 113.9163 59.7537 63.9787 174.1539 28 D 4.6963 7.2512 120.6747 51.3929 40.9394 175.5636 29 K 3.8820 7.8340 122.9708 58.7827 32.5965 178.5739 30 K 4.0103 7.9234 119.5290 59.3683 32.2887 179.0632 31 G 3.5843 8.2392 107.2919 47.5512 0.0000 175.5274 32 N 4.4835 8.4595 119.9010 55.3548 38.5224 178.0072 33 G 3.4979 8.1118 107.5299 47.7312 0.0000 176.0753 34 V 3.5743 7.6650 120.1806 65.5398 31.5366 178.0114 35 A 4.1376 7.7549 121.5890 54.3285 18.2631 179.3864 36 L 3.7610 7.8439 118.8763 58.4665 42.1697 179.2051 37 M 3.5264 7.7565 118.7580 58.4516 31.7721 178.8349 38 T 3.9849 7.9957 110.2123 65.2798 68.7573 176.5598 39 T 3.8537 7.9116 118.4842 66.0437 68.3238 176.5185 40 L 3.8273 7.4002 122.1557 58.2099 41.8686 179.1535 41 F 4.5000 7.4204 116.3186 60.3479 38.8541 177.3221 42 A 4.1933 7.9605 120.0938 54.8937 18.3304 178.7386 43 D 4.6747 8.0297 115.5647 54.8612 42.9169 176.8031 44 N 5.2509 8.1487 115.7938 49.3544 39.1062 174.9128 45 Q 4.2118 8.1466 120.1452 58.7824 28.8454 178.2293 46 E 4.1207 8.3031 118.0477 58.7087 29.6420 178.2553 47 T 4.3753 8.2928 110.3725 62.9677 69.3634 176.5230 48 I 3.8015 7.8595 124.0155 64.8473 36.9590 178.0164 49 G 3.6738 8.0848 104.3272 48.2018 0.0000 174.7524 50 Y 4.4096 7.7888 117.5935 59.7481 38.1415 176.4374 51 F 4.9929 8.2646 119.3646 56.7900 39.9926 178.0866 52 K 4.0556 8.1676 122.2040 59.6259 32.5956 178.7653 53 R 3.9866 7.9797 118.8828 58.8300 30.1389 176.7290 54 L 4.3480 8.0410 115.8651 54.4876 42.7996 178.6270 55 G 3.7144 7.4841 107.5100 47.1754 0.0000 177.0611 56 D 4.5210 8.4028 126.5624 53.0710 41.0170 176.5947 57 V 3.8257 7.9455 120.9326 62.8124 31.5559 177.5205 58 S 4.3947 8.0149 113.2263 59.8334 63.2293 175.6393 59 Q 4.1211 8.1367 121.8501 56.8123 28.9187 177.1174 60 G 3.9067 8.3787 109.5632 46.2522 0.0000 176.2507 61 M 3.9444 8.9820 121.2154 58.4042 32.1000 177.3555 62 A 3.9724 7.5637 120.4473 54.4130 18.7811 177.3152 63 N 4.5774 8.1712 115.0739 52.7571 39.0531 174.9211 64 D 4.3886 8.6784 129.6136 56.7226 39.3762 178.6693 65 K 4.0234 8.1029 119.3244 59.0550 32.0491 178.9757 66 L 4.0538 8.5974 120.9670 57.9282 42.0137 179.0182 67 R 3.9837 8.4974 119.3651 59.4128 30.1806 178.7849 68 G 3.6719 8.5390 106.0329 47.9577 0.0000 175.2321 69 H 4.2478 8.3807 120.5676 59.2216 29.8102 177.5784 70 S 4.0754 8.4056 117.2438 61.6617 62.4295 176.8194 71 I 3.7510 7.6649 121.3340 64.7666 37.1618 178.3418 72 T 4.2151 7.9014 116.1530 66.5638 68.1484 176.4875 73 L 3.8779 8.0852 122.3971 58.3657 42.0931 178.9847 74 M 4.2234 7.8959 118.5312 58.2286 31.7907 178.0002 75 Y 4.1687 7.8194 115.9933 60.0895 38.1323 177.7096 76 A 3.6670 7.5226 122.1111 54.7665 18.2136 179.6573 77 L 3.5148 7.3182 117.0707 57.5054 41.6917 179.1820 78 Q 3.6521 7.7860 119.5871 58.9866 28.7811 177.7955 79 N 4.3167 7.9207 116.9239 56.8031 39.4341 176.3956 80 F 4.6614 7.7387 118.8854 60.9034 38.9306 177.5631 81 I 3.5621 7.8248 119.5646 64.7268 36.6616 178.2872 82 D 4.4410 8.1428 118.1232 56.6343 40.9519 177.7463 83 Q 4.4332 7.7713 116.6433 55.5030 28.7590 177.1520 84 L 3.8828 7.3702 121.7785 58.2215 41.7227 178.1581 85 D 4.6043 7.9615 114.1195 54.8849 41.0874 176.3841 86 N 4.8712 8.1238 118.7748 49.6085 39.5293 172.2423 87 P 4.1523 0.0000 0.0000 65.5275 31.4224 177.2462 88 D 4.5580 8.3503 116.8046 57.7495 40.8190 178.5534 89 D 4.4093 8.2783 118.7523 56.8440 40.8022 178.5596 90 L 3.9623 8.1354 121.1222 58.1010 42.0244 179.0646 91 V 3.5813 8.3242 118.6979 66.3327 31.2058 177.8328 92 C 4.1510 7.8880 113.9854 61.2611 29.4018 176.1329 93 V 3.7479 7.7864 114.5224 63.8389 31.2623 178.6461 94 V 3.7753 8.2262 118.4985 66.2114 31.5195 178.0164 95 E 3.9749 8.5433 118.5979 59.0180 28.9709 179.3480 96 K 3.8614 7.4358 118.8556 59.6762 32.2968 178.7866 97 F 4.6606 8.2045 117.5900 60.2351 38.7768 177.5984 98 A 4.0115 8.2672 120.9815 55.1472 18.1582 179.7282 99 V 3.5754 7.7586 116.2991 66.2917 29.9988 177.9148 100 N 4.3604 7.9754 115.8646 56.4956 38.3684 176.6902 101 H 4.7195 8.1385 116.4756 57.9658 29.3626 177.5123 102 I 3.7566 8.4603 122.4244 64.5362 36.6612 178.5145 103 T 3.9887 7.9530 109.8949 64.3180 68.5996 175.8259 104 R 4.3019 7.0409 118.0362 54.8126 30.4743 176.2047 105 K 3.7867 7.6778 116.7922 57.4796 30.0253 175.7585 106 I 4.0678 7.6838 119.9499 60.0693 37.9705 177.2655 107 S 4.5126 8.5993 120.6913 57.3813 65.4364 175.0075 108 A 3.9894 8.5098 123.5208 55.2701 17.8200 179.8411 109 A 3.9908 7.9036 117.7682 55.4967 18.9161 179.2525 110 E 4.1325 8.1827 116.8255 59.5587 29.6174 179.4141 111 F 4.1723 8.6659 120.9508 60.9794 39.4621 176.9460 112 G 3.9188 8.1251 103.8678 46.3223 0.0000 175.3492 113 K 4.1715 8.0325 120.9394 58.7162 32.0629 178.5751 114 I 3.6715 7.5227 118.4810 63.2060 37.6585 177.3542 115 N 4.4770 8.2147 118.0153 56.2695 38.3395 177.3455 116 G 3.6271 7.6681 106.4775 47.4758 0.0000 173.8995 117 P 4.2122 0.0000 0.0000 65.0508 31.2431 178.6894 118 I 3.5047 7.7340 118.4958 64.2154 37.0281 178.2175 119 K 3.8983 8.0794 120.3102 59.5553 31.9954 178.9524 120 K 3.9617 7.9700 118.5167 59.4235 31.7351 179.4757 121 V 3.5432 7.8993 118.6521 65.9645 31.3718 177.9600 122 L 4.0114 8.1662 118.7030 57.9142 41.5210 179.4362 123 A 4.1604 8.2421 120.8792 55.0795 18.0970 179.6791 124 S 4.4355 8.1244 111.6514 60.4556 62.9285 175.8507 125 K 4.4086 7.0488 120.2967 55.4344 32.3715 175.5594 126 N 4.1504 8.3506 115.3070 54.2963 36.2110 174.0019 127 F 4.4857 8.2065 117.8305 55.7887 40.0831 176.7883 128 G 4.1071 8.7039 116.3788 44.7938 0.0000 172.4528 129 D 4.4610 9.0444 117.8207 57.6542 40.6830 178.7861 130 K 3.8231 8.1548 119.2568 59.9981 32.1046 178.2694 131 Y 4.1505 8.0975 116.4145 60.9040 37.8248 178.1123 132 A 4.2317 8.1429 121.4503 55.3079 18.6628 179.2988 133 N 4.3737 8.8579 115.3342 56.2352 38.0842 177.5280 134 A 3.9373 7.9295 122.2127 55.0649 18.4686 179.7983 135 W 3.9282 8.4695 117.1924 59.5180 29.1152 178.7036 136 A 4.4689 8.1746 122.3612 54.5711 17.5283 179.8520 137 K 3.9458 7.7394 116.0260 59.4526 32.3784 179.0515 138 L 3.9474 7.5026 120.0938 57.9064 41.9299 179.1666 139 V 3.7854 8.1888 118.2975 65.8884 31.5101 177.8925 140 A 4.6601 8.0188 121.8729 54.4108 17.8836 179.7937 141 V 3.4396 7.1723 116.1081 66.1114 31.8169 178.1384 142 V 3.5075 7.4089 117.5332 65.9361 31.5111 177.8203 143 Q 3.8279 8.0808 117.6610 58.8077 28.3125 178.5806 144 A 4.0664 7.9497 120.3125 53.9857 18.4634 178.3562 145 A 4.3862 7.6952 117.3853 52.1035 19.6673 177.0200 146 L 4.1850 7.5977 122.4143 54.6072 41.9292 176.3263 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 2 S 8.19 4.45 0.00 4.05 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 3 V 8.20 3.38 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 1.09 0.00 0.00 0.94 0.00 0.00 4 Y 8.83 4.01 0.00 3.06 2.95 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 5 D 7.86 4.28 0.00 2.94 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 6 A 7.87 4.04 1.30 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 0.00 0.00 7 A 8.15 3.76 1.18 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 8 A 7.97 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.28 4.24 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.56 0.00 10 L 7.19 3.74 0.00 1.63 1.59 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.18 4.25 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 1.19 0.00 0.00 12 A 8.37 3.93 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 13 D 7.95 4.29 0.00 2.65 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 14 V 7.41 3.50 2.12 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 0.89 0.00 0.00 0.85 0.00 0.00 15 K 8.23 3.83 0.00 1.91 1.78 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.55 7.81 16 K 8.01 3.93 0.00 1.97 2.01 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.59 7.81 17 D 8.03 4.61 0.00 2.80 2.63 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 18 L 7.99 3.75 0.00 1.64 1.25 0.53 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.18 4.09 0.00 1.90 2.06 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 20 D 8.58 4.49 0.00 2.92 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 21 S 8.18 3.21 0.00 3.35 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 22 W 8.69 4.35 0.00 3.82 3.27 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 23 K 7.91 3.82 0.00 2.01 1.88 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.82 7.81 24 V 7.21 3.73 2.22 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 1.10 0.00 0.00 1.09 0.00 0.00 25 I 7.72 3.47 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 1.04 0.27 0.66 0.00 0.00 26 G 7.11 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.19 4.10 0.00 3.90 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 28 D 7.25 4.70 0.00 2.59 2.39 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 29 K 7.83 3.88 0.00 1.68 1.64 0.00 1.07 0.00 0.00 0.63 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.32 7.81 30 K 7.92 4.01 0.00 1.82 1.77 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 31 G 8.24 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 0.00 0.00 0.00 32 N 8.46 4.48 0.00 2.69 2.73 0.00 0.00 6.98 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 33 G 8.11 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 34 V 7.67 3.57 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 1.08 0.00 0.00 0.95 0.00 0.00 35 A 7.75 4.14 1.30 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 0.00 0.00 36 L 7.84 3.76 0.00 1.76 1.75 0.77 0.63 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 37 M 7.76 3.53 0.00 1.71 1.93 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 38 T 8.00 3.98 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 1.29 0.00 0.00 39 T 7.91 3.85 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 1.15 0.00 0.00 40 L 7.40 3.83 0.00 1.60 1.26 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.42 4.50 0.00 3.21 2.95 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 42 A 7.96 4.19 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 43 D 8.03 4.67 0.00 2.67 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 44 N 8.15 5.25 0.00 2.98 2.99 0.00 0.00 7.14 8.40 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 45 Q 8.15 4.21 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.77 0.00 46 E 8.30 4.12 0.00 2.15 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 2.43 2.36 0.00 47 T 8.29 4.38 4.72 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 1.42 0.00 0.00 48 I 7.86 3.80 1.91 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 1.24 0.93 0.76 0.00 0.00 49 G 8.08 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 50 Y 7.79 4.41 0.00 2.79 2.43 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 51 F 8.26 4.99 0.00 3.07 3.06 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 52 K 8.17 4.06 0.00 1.94 2.08 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.45 7.81 53 R 7.98 3.99 0.00 1.83 2.07 0.00 3.27 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 8.04 4.35 0.00 1.83 1.72 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.48 3.71 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 0.00 0.00 0.00 56 D 8.40 4.52 0.00 2.69 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 57 V 7.95 3.83 1.65 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 0.52 0.00 0.00 0.29 0.00 0.00 58 S 8.01 4.39 0.00 4.03 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 59 Q 8.14 4.12 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.88 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 60 G 8.38 3.91 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 61 M 8.98 3.94 0.00 1.96 2.12 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 2.59 2.61 0.00 62 A 7.56 3.97 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 63 N 8.17 4.58 0.00 2.79 2.89 0.00 0.00 6.77 7.97 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 64 D 8.68 4.39 0.00 2.92 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 65 K 8.10 4.02 0.00 2.03 1.94 0.00 1.69 0.00 0.00 1.95 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.60 4.05 0.00 1.78 1.86 1.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.50 3.98 0.00 2.06 2.06 0.00 3.16 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 68 G 8.54 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 69 H 8.38 4.25 0.00 3.37 3.60 0.00 5.79 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 70 S 8.41 4.08 0.00 4.03 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 71 I 7.66 3.75 1.96 0.00 0.00 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 1.55 0.66 1.16 0.00 0.00 72 T 7.90 4.22 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 1.30 0.00 0.00 73 L 8.09 3.88 0.00 1.65 1.75 0.86 0.73 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 74 M 7.90 4.22 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.89 0.00 75 Y 7.82 4.17 0.00 3.22 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 76 A 7.52 3.67 0.27 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 77 L 7.32 3.51 0.00 1.41 1.04 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.79 3.65 0.00 2.52 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 79 N 7.92 4.32 0.00 2.96 2.93 0.00 0.00 7.30 6.61 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 80 F 7.74 4.66 0.00 3.11 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 81 I 7.82 3.56 1.71 0.00 0.00 0.49 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 -0.20 0.89 0.00 0.00 82 D 8.14 4.44 0.00 2.84 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 83 Q 7.77 4.43 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.84 2.63 0.00 84 L 7.37 3.88 0.00 1.54 1.68 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.96 4.60 0.00 2.66 2.69 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 86 N 8.12 4.87 0.00 2.68 2.65 0.00 0.00 7.13 6.98 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 87 P 0.00 4.15 0.00 2.10 1.75 0.00 3.66 0.00 0.00 3.74 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 D 8.35 4.56 0.00 2.97 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 89 D 8.28 4.41 0.00 2.84 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 90 L 8.14 3.96 0.00 1.90 1.78 0.78 0.60 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 91 V 8.32 3.58 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 1.13 0.00 0.00 1.10 0.00 0.00 92 C 7.89 4.15 0.00 3.16 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 93 V 7.79 3.75 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 0.94 0.00 0.00 1.28 0.00 0.00 94 V 8.23 3.78 2.19 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 0.89 0.00 0.00 0.45 0.00 0.00 95 E 8.54 3.97 0.00 2.03 1.98 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 2.31 2.60 0.00 96 K 7.44 3.86 0.00 1.76 1.78 0.00 0.85 0.00 0.00 1.21 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.41 7.81 97 F 8.20 4.66 0.00 3.43 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 98 A 8.27 4.01 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 99 V 7.76 3.58 2.25 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 1.02 0.00 0.00 1.01 0.00 0.00 100 N 7.98 4.36 0.00 3.25 2.94 0.00 0.00 6.98 7.82 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 0.00 101 H 8.14 4.72 0.00 3.39 3.44 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.46 3.76 2.00 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 1.57 0.85 0.91 0.00 0.00 103 T 7.95 3.99 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 1.33 0.00 0.00 104 R 7.04 4.30 0.00 1.85 1.79 0.00 3.33 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 105 K 7.68 3.79 0.00 1.94 1.92 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.57 7.81 106 I 7.68 4.07 2.01 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 1.02 0.00 0.00 107 S 8.60 4.51 0.00 4.09 4.03 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 0.00 108 A 8.51 3.99 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 0.00 109 A 7.90 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.18 4.13 0.00 2.25 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 2.43 2.39 0.00 111 F 8.67 4.17 0.00 3.19 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 0.00 112 G 8.13 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 0.00 0.00 0.00 113 K 8.03 4.17 0.00 1.93 1.89 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.68 7.81 114 I 7.52 3.67 1.54 0.00 0.00 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 1.31 1.08 0.78 0.00 0.00 115 N 8.21 4.48 0.00 2.93 2.89 0.00 0.00 6.71 7.95 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 0.00 116 G 7.67 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 0.00 0.00 0.00 117 P 0.00 4.21 0.00 2.15 2.00 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 118 I 7.73 3.50 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.70 0.00 0.00 119 K 8.08 3.90 0.00 1.96 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.54 7.81 120 K 7.97 3.96 0.00 1.98 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 121 V 7.90 3.54 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 0.91 0.00 0.00 0.89 0.00 0.00 122 L 8.17 4.01 0.00 2.01 2.00 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.24 4.16 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 0.00 124 S 8.12 4.44 0.00 4.02 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 0.00 125 K 7.05 4.41 0.00 2.04 1.93 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.63 7.81 126 N 8.35 4.15 0.00 2.53 2.78 0.00 0.00 6.81 7.33 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 0.00 127 F 8.21 4.49 0.00 3.14 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 0.00 128 G 8.70 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 0.00 129 D 9.04 4.46 0.00 2.74 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 0.00 130 K 8.15 3.82 0.00 1.73 1.65 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.97 1.34 7.81 131 Y 8.10 4.15 0.00 3.48 3.17 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 0.00 132 A 8.14 4.23 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 0.00 0.00 133 N 8.86 4.37 0.00 2.91 2.88 0.00 0.00 6.89 7.84 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 0.00 134 A 7.93 3.94 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 0.00 135 W 8.47 3.93 0.00 3.49 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 0.00 136 A 8.17 4.47 1.46 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 0.00 137 K 7.74 3.95 0.00 1.89 1.80 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.64 7.81 138 L 7.50 3.95 0.00 1.45 1.69 0.65 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.19 3.79 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 1.22 0.00 0.00 1.25 0.00 0.00 140 A 8.02 4.66 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 0.00 141 V 7.17 3.44 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 0.64 0.00 0.00 0.81 0.00 0.00 142 V 7.41 3.51 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 0.32 0.00 0.00 0.78 0.00 0.00 143 Q 8.08 3.83 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 144 A 7.95 4.07 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 0.00 145 A 7.70 4.39 1.23 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 0.00 146 L 7.60 4.19 0.00 1.66 1.52 0.53 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00