NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6603 8.3649 120.5294 54.3418 42.2816 175.3875 2 C 4.8987 8.3749 119.4448 54.2204 45.2416 172.6002 3 S 4.3304 8.3027 117.8528 58.2397 63.9992 173.7685 4 S 4.3661 8.4257 117.2533 60.2232 62.3355 174.7198 5 S 4.3312 9.1448 121.0436 57.7567 61.2860 168.3828 6 W 4.8308 8.1707 120.6454 55.5578 30.7726 175.7396 7 S 5.2021 9.3069 119.5911 57.0508 65.2029 173.3148 8 S 5.8639 8.5819 116.5271 56.5751 65.8708 173.1814 9 Y 4.1933 8.7435 120.6255 57.9511 41.3290 174.3488 10 E 3.2580 9.2599 128.5542 57.4955 27.0497 175.6192 11 G 3.9150 8.2723 102.4304 45.9368 0.0000 172.5583 12 H 5.0825 8.1218 115.9612 53.8525 33.3021 171.7569 13 C 5.7181 8.8494 117.2814 55.6629 42.4841 173.0468 14 Y 5.6603 10.0958 121.6343 56.6005 41.9223 174.9082 15 K 4.1137 8.5875 120.0875 55.5143 35.8187 174.1078 16 A 4.6949 8.1457 129.7281 50.8764 20.1355 176.0687 17 F 4.3976 8.2726 120.0151 55.4958 41.6097 176.9471 18 K 3.8944 8.6760 122.4134 58.3151 32.7454 177.8248 19 Q 4.0105 7.9211 117.6210 56.4871 28.8336 175.3576 20 S 4.8050 8.4784 118.1567 58.0171 64.0257 173.5269 21 K 4.7999 9.0566 122.4861 54.9504 37.2035 175.7177 22 T 5.3044 8.3231 111.7447 60.9110 70.1775 175.2839 23 W 2.8318 8.2517 131.1481 60.3802 30.4196 177.9843 24 A 4.0708 8.0117 119.9317 55.4136 17.8418 179.2022 25 D 4.1478 7.8748 116.6341 57.1073 40.8192 178.9012 26 A 2.9135 7.5557 121.4606 54.5418 18.3048 179.1388 27 E 3.4079 7.2754 117.7428 59.4157 29.3849 179.0446 28 S 3.9795 7.6635 111.6713 61.2261 62.8151 175.5212 29 F 4.1499 8.3928 123.6614 61.5398 38.9854 176.4951 30 C 4.3788 8.7519 116.7108 60.1597 39.7300 176.2169 31 T 3.7549 7.4665 111.7157 63.6094 68.4107 175.9980 32 K 4.1406 7.3173 118.7339 57.4316 32.4767 178.3660 33 Q 4.1140 7.3648 118.7426 57.4023 29.4368 176.5112 34 V 4.2780 6.7152 116.8482 59.8068 34.0678 172.9809 35 N 4.4287 8.3840 120.3293 54.9288 38.6893 175.5735 36 G 3.8674 8.9017 111.1609 44.9707 0.0000 173.5079 37 G 3.8257 7.7390 107.6327 46.7738 0.0000 172.8719 38 H 4.9327 8.8845 118.6005 54.1913 34.2130 172.7446 39 L 4.7007 8.6644 120.2079 54.4810 42.1356 178.1571 40 V 4.1510 8.8421 122.9428 62.4685 32.4205 175.2494 41 S 4.8938 9.3880 117.0604 56.5601 65.1323 173.7316 42 I 4.4846 8.4490 124.6987 60.3843 37.3628 174.7266 43 E 4.7456 9.0589 125.0805 55.3015 29.9029 176.5512 44 S 4.6889 7.5523 113.7244 56.9333 65.8977 177.7310 45 S 4.2048 8.1627 118.1510 61.7320 62.6234 176.8568 46 G 3.9106 8.2739 107.8818 48.2498 0.0000 175.0255 47 E 3.8132 8.2756 121.5153 58.6448 29.6216 178.6526 48 A 4.0920 8.1338 121.0020 55.1188 18.3274 179.3898 49 D 4.0911 8.3000 117.5119 57.3802 40.8923 178.4059 50 F 3.7558 7.7611 121.0382 61.4297 39.1358 177.3880 51 V 3.2008 7.9462 117.6139 65.7426 31.3249 177.7366 52 A 4.0023 8.0013 120.5440 55.6184 18.0008 179.4097 53 H 4.2084 7.9110 113.8014 58.6539 28.6707 177.4344 54 L 3.7672 7.6161 122.3935 58.0271 41.7419 179.1948 55 I 3.3465 7.6461 119.5077 64.2872 36.8220 178.2247 56 A 4.1032 7.6061 119.8014 55.2608 18.1138 179.3598 57 Q 4.0181 7.5039 115.6894 58.1787 28.8190 177.1690 58 K 4.2080 7.6870 117.1586 57.0347 33.8333 176.5127 59 I 4.1840 7.6156 120.1189 60.0329 37.6370 175.6300 60 K 4.5164 8.5600 123.1313 55.9921 33.8425 176.1507 61 S 4.5394 7.8856 112.8966 57.2209 62.1819 173.1795 62 A 4.5725 8.1499 124.3741 51.7412 19.8315 178.4102 63 K 4.1312 8.4654 116.4161 58.1890 32.2655 176.4781 64 I 4.5391 7.0032 110.4199 59.2787 40.6802 172.6686 65 H 4.9689 7.8794 115.5900 53.5961 31.5962 172.9517 66 V 4.4376 8.1963 117.4152 60.6242 32.3999 175.1566 67 W 5.3537 9.0061 128.4362 57.0704 30.4082 175.2513 68 I 4.8933 9.0600 115.7472 58.5974 40.8209 176.5739 69 G 3.9543 9.3165 109.8623 46.5878 0.0000 172.8345 70 L 4.6574 7.7497 122.4530 53.5845 43.7583 175.3600 71 R 4.5616 8.0810 123.6664 54.9655 33.1218 173.7373 72 A 4.1441 8.1727 127.1106 51.4338 18.5144 177.6313 73 Q 3.9369 8.9231 122.5150 59.1482 29.1071 177.1350 74 N 4.0979 7.8301 112.7708 53.6470 39.0095 174.6908 75 K 4.1365 8.3386 121.2585 57.2925 32.9698 176.6298 76 E 4.2356 7.7145 117.2627 56.0351 30.0766 176.9536 77 K 3.7983 8.3047 119.7044 58.7450 32.3354 177.4715 78 Q 4.4820 7.5051 113.9394 55.0046 31.3306 174.0546 79 C 4.5714 8.3174 115.0134 59.5970 29.7156 175.4855 80 S 4.4612 7.7287 113.6467 58.1619 62.9361 173.0166 81 I 4.4909 8.1207 116.9641 61.8792 39.7239 174.6178 82 E 4.7320 7.5301 116.0665 54.7531 32.3673 174.2047 83 W 4.7456 8.8755 120.0616 55.7381 29.8657 178.0591 84 S 4.2749 8.8178 114.1401 60.9996 62.4931 174.7623 85 D 4.5871 8.2836 118.9224 53.3548 39.5193 176.9473 86 G 4.3975 8.3388 109.8227 46.0370 0.0000 174.5346 87 S 4.4182 8.7350 114.6919 58.0915 63.7777 174.0243 88 S 4.8229 8.3379 117.5173 57.8182 63.7217 174.0877 89 I 4.5300 8.2263 123.5724 61.2909 37.0976 176.3311 90 S 4.7546 8.5585 119.8584 57.5326 63.7515 172.9817 91 Y 4.4709 7.6458 116.2411 58.0476 41.0699 172.5323 92 E 4.4610 8.3959 126.2235 54.7460 33.2816 175.4689 93 N 4.8766 7.6213 117.3061 52.2671 39.0670 174.6341 94 W 4.1956 7.8862 117.8556 56.6436 30.3503 176.9579 95 I 4.2744 8.5971 122.3909 61.0174 36.9543 177.5135 96 E 3.7070 8.2047 125.4812 59.3976 29.6298 179.7485 97 E 2.5400 7.5808 116.0926 57.5951 29.5016 177.4551 98 E 4.1296 9.3992 119.0440 56.9370 30.4293 175.8248 99 S 4.0375 7.7823 114.0619 57.2906 61.8072 172.7711 100 K 4.7663 8.1896 128.9459 55.0937 31.1089 176.1388 101 K 4.4100 8.1116 119.6066 56.0225 33.7756 175.9758 102 C 5.0168 8.2071 118.2353 54.9737 38.0982 173.0277 103 L 5.5045 8.4081 121.7770 53.6997 44.3507 175.6480 104 G 4.8659 9.3097 107.5182 45.7042 0.0000 171.8761 105 V 5.3129 8.9737 112.9114 59.7714 35.0379 174.7503 106 H 5.2477 8.7676 122.6278 53.9788 32.8395 174.5337 107 K 2.4800 8.1128 123.5546 58.8998 32.0829 178.7961 108 A 3.9860 8.2586 120.5726 54.5321 18.3578 177.8418 109 T 4.3242 7.7695 103.5762 61.1911 69.0645 174.9320 110 G 3.6789 8.2704 109.2203 46.3026 0.0000 173.8496 111 F 4.0808 7.9490 115.2970 59.2232 36.4556 175.7773 112 R 4.6018 8.0085 117.0619 57.7943 32.3201 177.3832 113 K 3.9930 7.9642 115.9565 56.2783 32.5529 176.5917 114 W 5.0146 8.6545 123.5891 56.5207 29.7129 175.4739 115 E 4.6951 9.3065 125.0372 54.4031 32.0853 175.1941 116 N 5.0464 8.2177 120.0391 53.0113 39.8402 174.5791 117 F 5.1587 9.4613 120.8830 55.6283 44.4978 173.3447 118 Y 4.8588 8.9314 122.5007 57.5178 39.2592 177.3330 119 C 3.9077 9.1382 124.9528 59.9170 40.4393 175.0427 120 E 4.0962 6.1867 116.1002 56.2684 29.5457 176.5769 121 Q 4.3088 7.9971 119.5361 55.8854 29.4487 175.0838 122 R 4.9866 8.4315 120.2941 55.5290 31.2286 175.5188 123 D 4.6209 9.2739 122.8888 52.1793 46.2267 173.1468 124 P 4.9541 0.0000 0.0000 62.6895 33.3078 174.7041 125 F 5.2351 7.6350 114.7174 56.5567 41.7783 172.8708 126 V 5.0022 8.3609 116.0326 61.6302 34.8286 173.6320 127 C 5.5889 9.4554 125.1189 55.6529 43.9106 172.3253 128 E 5.2878 9.8214 122.3952 54.4443 33.1805 175.3554 129 A 4.2993 8.6758 126.6144 52.1844 19.6098 175.7327 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 D 8.36 4.66 0.00 2.66 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 2 C 8.37 4.90 0.00 3.11 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 3 S 8.30 4.33 0.00 3.58 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 4 S 8.43 4.37 0.00 3.88 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 5 S 9.14 4.33 0.00 4.09 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 0.00 6 W 8.17 4.83 0.00 3.38 3.32 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 7 S 9.31 5.20 0.00 4.04 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 8 S 8.58 5.86 0.00 3.97 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 9 Y 8.74 4.19 0.00 1.43 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 0.00 0.00 0.00 0.00 10 E 9.26 3.26 0.00 1.79 1.72 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 1.47 1.47 0.00 11 G 8.27 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 12 H 8.12 5.08 0.00 3.42 2.80 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.85 5.72 0.00 2.83 3.20 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 14 Y 10.10 5.66 0.00 3.08 3.02 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 15 K 8.59 4.11 0.00 0.79 0.74 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.21 7.81 16 A 8.15 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.27 4.40 0.00 1.59 2.42 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 0.00 18 K 8.68 3.89 0.00 1.66 1.78 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.27 7.81 19 Q 7.92 4.01 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 20 S 8.48 4.81 0.00 3.78 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 21 K 9.06 4.80 0.00 1.43 1.45 0.00 1.05 0.00 0.00 1.33 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.33 7.81 22 T 8.32 5.30 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 1.27 0.00 0.00 23 W 8.25 2.83 0.00 1.82 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 24 A 8.01 4.07 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 25 D 7.87 4.15 0.00 2.70 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 26 A 7.56 2.91 0.37 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 27 E 7.28 3.41 0.00 1.16 1.67 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 2.10 2.20 0.00 28 S 7.66 3.98 0.00 3.88 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 29 F 8.39 4.15 0.00 2.99 2.88 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 30 C 8.75 4.38 0.00 3.07 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 31 T 7.47 3.75 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 1.21 0.00 0.00 32 K 7.32 4.14 0.00 1.60 1.73 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.55 7.81 33 Q 7.36 4.11 0.00 2.18 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 34 V 6.72 4.28 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 0.38 0.00 0.00 0.57 0.00 0.00 35 N 8.38 4.43 0.00 2.61 2.73 0.00 0.00 7.13 7.65 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 36 G 8.90 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 37 G 7.74 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 0.00 0.00 0.00 38 H 8.88 4.93 0.00 3.07 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.66 4.70 0.00 1.37 1.61 -0.44 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.84 4.15 2.32 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 0.89 0.00 0.00 1.38 0.00 0.00 41 S 9.39 4.89 0.00 4.00 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 42 I 8.45 4.48 2.37 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.79 1.22 0.00 0.00 43 E 9.06 4.75 0.00 2.04 2.03 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 2.36 2.33 0.00 44 S 7.55 4.69 0.00 4.08 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 45 S 8.16 4.20 0.00 3.92 3.97 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 46 G 8.27 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 47 E 8.28 3.81 0.00 2.30 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 0.00 2.48 2.48 0.00 48 A 8.13 4.09 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.30 4.09 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 50 F 7.76 3.76 0.00 2.26 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.20 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 1.05 0.00 0.00 0.98 0.00 0.00 52 A 8.00 4.00 1.51 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 0.00 0.00 53 H 7.91 4.21 0.00 3.03 3.20 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.62 3.77 0.00 1.00 1.43 0.70 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.65 3.35 1.44 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 -0.38 0.00 0.00 56 A 7.61 4.10 1.51 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 0.00 0.00 57 Q 7.50 4.02 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 58 K 7.69 4.21 0.00 1.51 1.66 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.77 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.20 1.24 7.81 59 I 7.62 4.18 1.57 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.45 0.90 0.00 0.00 60 K 8.56 4.52 0.00 1.69 1.80 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.30 7.81 61 S 7.89 4.54 0.00 3.80 3.72 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 62 A 8.15 4.57 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 63 K 8.47 4.13 0.00 1.69 1.87 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 64 I 7.00 4.54 1.76 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 1.28 0.55 0.80 0.00 0.00 65 H 7.88 4.97 0.00 3.01 2.92 0.00 5.50 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.20 4.44 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 0.71 0.00 0.00 67 W 9.01 5.35 0.00 3.42 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 68 I 9.06 4.89 1.88 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 1.03 0.00 0.00 69 G 9.32 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 70 L 7.75 4.66 0.00 1.52 1.30 0.88 0.67 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 71 R 8.08 4.56 0.00 0.76 1.16 0.00 2.21 0.00 0.00 2.70 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.56 0.00 72 A 8.17 4.14 1.11 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 73 Q 8.92 3.94 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 74 N 7.83 4.10 0.00 2.60 3.02 0.00 0.00 6.78 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 75 K 8.34 4.14 0.00 1.66 1.77 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.40 7.81 76 E 7.71 4.24 0.00 1.99 1.82 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 2.28 2.36 0.00 77 K 8.30 3.80 0.00 1.81 0.74 0.00 1.15 0.00 0.00 1.48 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.28 7.81 78 Q 7.51 4.48 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 79 C 8.32 4.57 0.00 2.92 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 80 S 7.73 4.46 0.00 3.93 3.88 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 81 I 8.12 4.49 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 1.46 0.66 0.92 0.00 0.00 82 E 7.53 4.73 0.00 2.36 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 2.29 2.37 0.00 83 W 8.88 4.75 0.00 3.64 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 84 S 8.82 4.27 0.00 4.04 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 85 D 8.28 4.59 0.00 2.79 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 86 G 8.34 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 0.00 0.00 0.00 0.00 87 S 8.74 4.42 0.00 4.01 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 88 S 8.34 4.82 0.00 3.97 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 89 I 8.23 4.53 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.33 0.99 0.00 0.00 90 S 8.56 4.75 0.00 4.00 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 91 Y 7.65 4.47 0.00 2.96 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 92 E 8.40 4.46 0.00 1.93 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 2.27 2.28 0.00 93 N 7.62 4.88 0.00 2.35 2.54 0.00 0.00 7.07 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 94 W 7.89 4.20 0.00 3.27 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 95 I 8.60 4.27 1.95 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 1.44 1.20 0.93 0.00 0.00 96 E 8.20 3.71 0.00 1.90 1.79 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 2.41 2.36 0.00 97 E 7.58 2.54 0.00 1.75 1.78 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 2.22 1.96 0.00 98 E 9.40 4.13 0.00 2.19 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 2.48 2.59 0.00 99 S 7.78 4.04 0.00 3.32 3.56 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 0.00 100 K 8.19 4.77 0.00 1.75 1.81 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.53 7.81 101 K 8.11 4.41 0.00 1.50 1.62 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.29 7.81 102 C 8.21 5.02 0.00 2.89 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 5.50 0.00 1.53 1.61 0.91 1.04 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 0.00 104 G 9.31 4.87 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 0.00 105 V 8.97 5.31 2.28 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 1.19 0.00 0.00 1.21 0.00 0.00 106 H 8.77 5.25 0.00 3.36 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.11 2.48 0.00 1.35 1.48 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.10 7.81 108 A 8.26 3.99 1.26 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 0.00 0.00 0.00 109 T 7.77 4.32 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 1.27 0.00 0.00 110 G 8.27 3.68 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 0.00 0.00 0.00 111 F 7.95 4.08 0.00 3.26 3.13 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 0.00 112 R 8.01 4.60 0.00 1.96 1.94 0.00 3.33 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 113 K 7.96 3.99 0.00 1.80 1.78 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.40 7.81 114 W 8.65 5.01 0.00 3.29 3.08 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 0.00 0.00 0.00 115 E 9.31 4.70 0.00 1.62 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 2.21 2.51 0.00 116 N 8.22 5.05 0.00 2.44 2.83 0.00 0.00 6.73 7.45 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 0.00 117 F 9.46 5.16 0.00 3.17 3.14 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 0.00 118 Y 8.93 4.86 0.00 3.30 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 0.00 119 C 9.14 3.91 0.00 2.71 2.79 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 0.00 120 E 6.19 4.10 0.00 1.16 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 1.77 2.22 0.00 121 Q 8.00 4.31 0.00 2.49 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 122 R 8.43 4.99 0.00 1.71 1.90 0.00 3.31 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 123 D 9.27 4.62 0.00 1.59 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 0.00 0.00 0.00 0.00 124 P 0.00 4.95 0.00 1.92 1.98 0.00 3.95 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 125 F 7.64 5.24 0.00 3.15 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 0.00 126 V 8.36 5.00 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 1.20 0.00 0.00 0.89 0.00 0.00 127 C 9.46 5.59 0.00 3.33 3.37 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 0.00 128 E 9.82 5.29 0.00 2.00 1.77 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 2.02 1.47 0.00 129 A 8.68 4.30 1.01 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 0.00 0.00