NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6094 8.4249 119.1984 53.6227 39.9929 174.1036 3 C 4.4172 8.1638 121.2845 53.7003 45.0144 171.1357 4 P 4.3506 0.0000 0.0000 62.3361 32.1866 177.7123 5 L 4.0546 8.4917 120.7402 57.2653 41.6411 177.8763 6 D 4.8215 8.1762 116.4437 52.6061 39.5799 175.5004 7 W 4.5287 7.9879 118.6382 55.1293 32.8228 174.8634 8 L 4.2508 8.7401 124.0140 52.9523 42.6750 173.7599 9 P 4.9370 0.0000 0.0000 62.5712 32.4570 176.3192 10 M 4.3337 9.8503 123.7705 55.7475 34.7806 174.1852 11 N 3.9519 10.1271 125.7614 54.3308 36.4120 175.3003 12 G 4.0004 8.7356 106.3155 44.7041 0.0000 173.2756 13 L 4.8560 7.8463 118.3561 53.0432 45.8634 174.5164 14 C 5.6845 8.7894 116.5566 55.7181 39.0241 173.2867 15 Y 5.5208 8.9704 118.7388 56.6568 42.3603 174.3746 16 K 4.4906 8.6027 120.4693 55.3369 35.9863 174.3170 17 I 4.5451 7.8775 120.9354 59.8842 39.4756 174.9405 18 F 4.2729 8.2834 123.6471 55.5976 41.1762 175.8673 19 N 4.6302 8.7214 119.7779 53.8178 38.6669 175.1327 20 Q 4.2422 7.7048 119.4415 55.7935 30.0504 175.0772 21 L 4.8795 8.5746 124.2942 54.3514 42.7127 176.2251 22 K 4.9591 9.6606 122.7946 54.7867 37.4553 176.0260 23 T 5.4084 8.4073 110.4998 60.3668 70.0737 175.3805 24 W 2.6244 8.4513 132.5745 60.3406 30.3889 177.9525 25 E 3.7766 8.1788 118.4242 59.4555 29.0791 178.3864 26 D 4.2719 7.9534 118.2880 56.9311 40.8370 178.6147 27 A 2.7789 7.9193 121.8878 54.5176 18.1851 179.1343 28 E 3.4664 7.3970 117.7693 59.7493 29.6530 179.0164 29 M 3.9104 7.7454 118.5055 58.1587 31.7078 178.6384 30 F 3.8983 8.0562 120.4825 61.4008 39.8916 176.2666 31 C 4.5352 8.2838 116.1301 60.2020 39.8065 176.2757 32 R 3.9282 7.8775 120.0835 58.0805 29.7185 178.3245 33 K 4.2309 7.5435 115.3190 56.6345 32.5141 177.7564 34 Y 3.8689 7.4201 120.8970 59.0381 39.0651 175.8538 35 K 4.2418 7.2025 115.3218 54.7805 34.8388 172.4836 36 P 4.1850 0.0000 0.0000 64.7390 31.2055 176.2609 37 G 3.9787 9.1175 110.4216 45.1618 0.0000 172.7650 38 C 5.2951 7.5970 116.0931 55.6992 40.9696 172.7415 39 H 4.8178 9.1607 118.0362 54.4466 33.7517 172.6702 40 L 4.7096 9.8314 120.7004 54.7503 42.1399 177.8407 41 A 4.6211 9.5215 125.0445 52.2325 19.6022 176.8992 42 S 3.7182 9.0118 114.5648 55.8419 65.6714 173.6335 43 F 4.7467 6.8451 119.1263 56.4636 41.7919 175.3193 44 H 5.1582 9.4409 117.0225 55.5907 32.3211 173.7124 45 R 4.1774 7.1421 114.9166 53.3862 32.3331 174.9565 46 Y 4.5231 8.2895 122.2927 60.4866 38.5135 179.0629 47 G 3.6317 8.1645 105.7433 47.8198 0.0000 175.3380 48 E 3.8582 7.9641 120.3997 59.1665 29.4713 179.3250 49 S 4.6069 8.2845 114.7150 61.9001 62.9666 176.6075 50 L 3.8852 7.5771 120.7398 57.8342 41.3112 178.8984 51 E 3.8898 8.3494 119.3261 59.6048 29.4777 178.8746 52 I 3.7326 8.5052 119.4672 64.3682 37.2693 177.9876 53 A 4.1061 8.6372 121.8747 55.6386 18.3210 179.4320 54 E 3.9597 8.4486 117.5202 59.2649 29.6753 178.1416 55 Y 4.2759 8.2068 119.9123 60.9527 38.8893 178.1469 56 I 3.0043 8.1435 120.7572 64.3630 36.9113 178.5107 57 S 4.1488 7.5803 114.6380 61.7685 62.7504 176.1638 58 D 4.4880 7.9006 119.5506 55.8370 40.8777 176.7161 59 Y 4.1846 7.4072 114.3179 57.6268 39.4667 175.2858 60 H 4.5279 8.2512 120.6082 55.3573 29.5757 176.2869 61 K 4.2678 8.5244 132.0408 54.1761 30.5209 176.5671 62 G 3.8460 6.4059 106.0592 46.1606 0.0000 171.1686 63 Q 4.4996 9.0520 117.7757 55.5142 31.3352 175.7823 64 E 4.2007 8.2254 116.3047 56.7068 30.3169 175.5157 65 N 4.8434 8.2571 117.1372 52.9210 40.7997 174.4349 66 V 4.7701 8.0650 119.7698 60.8314 34.4277 174.9986 67 W 5.4755 9.5925 128.6060 57.0348 30.5976 175.2227 68 I 5.2311 9.2177 116.0390 58.6498 41.3257 176.1100 69 G 4.2888 9.7939 106.5101 47.3149 0.0000 172.3369 70 L 4.7371 8.2951 123.6619 53.4907 43.6252 175.4742 71 R 4.8644 8.6240 124.8262 55.2000 34.0936 173.7100 72 D 4.5359 8.8902 127.1643 51.8825 38.9810 176.1975 73 K 3.5377 8.0148 123.6704 59.0443 32.4427 177.5246 74 K 4.1279 7.6379 114.5916 56.1116 32.2958 177.0531 75 K 3.9242 7.5660 116.3052 56.1073 29.6955 175.0728 76 D 4.6167 7.3530 112.4590 53.2762 40.1308 175.1714 77 F 3.5617 8.1377 115.2939 59.6358 36.0902 176.0794 78 S 4.7886 7.3693 115.6021 56.4013 61.2924 172.7794 79 W 4.5440 8.1761 125.1277 57.6419 30.2768 175.7444 80 E 4.8388 9.1306 122.9378 54.3760 33.6916 174.7753 81 W 5.4545 8.4157 122.2903 56.3149 30.1780 177.8316 82 T 4.1844 9.3118 114.9911 64.3883 68.6712 174.8567 83 D 4.1146 8.4633 119.5020 52.6749 39.6415 176.7439 84 R 3.9748 8.3811 117.1638 56.8566 28.6011 176.1763 85 S 4.2808 9.0241 113.6981 58.2689 63.3549 173.2532 86 C 4.5291 8.3688 120.9871 58.8317 31.4797 174.3290 87 T 4.9506 8.8156 125.0719 64.1255 65.7222 173.2452 88 D 5.0870 8.8025 120.0461 52.4689 40.7169 175.4250 89 Y 4.9438 8.2358 120.2796 56.4348 41.8194 173.8732 90 L 3.7044 7.6629 126.0463 53.4994 45.6387 176.7343 91 T 3.8127 5.7900 119.8098 59.7446 66.6611 173.1983 92 W 4.7716 6.8983 122.4389 56.8905 30.6064 177.1739 93 D 4.6724 9.4724 123.6587 52.9819 42.7460 175.0816 94 K 3.8770 8.5103 122.0092 57.9736 32.1683 176.0974 95 N 4.2778 8.9835 122.6148 53.7718 36.1214 173.7046 96 Q 4.4852 7.8199 117.0952 53.2765 31.0301 173.7758 97 P 4.3989 0.0000 0.0000 62.1132 32.4105 175.5708 98 D 4.7668 8.4729 115.1310 51.9765 41.1209 174.9638 99 H 4.1409 9.3449 116.8983 55.6951 27.0560 173.8889 100 Y 4.5141 8.2902 117.6248 59.5215 39.0849 175.9558 101 Q 3.2052 9.8339 123.1423 55.9708 26.7405 172.7272 102 N 4.2309 8.9161 115.0285 54.5664 37.3071 174.8784 103 K 4.4402 7.9180 111.1921 55.7466 35.2173 175.7141 104 E 4.5365 7.2244 119.9337 54.9711 30.2658 175.6547 105 F 5.0902 8.4042 120.2734 56.8368 41.6845 174.9886 106 C 5.0290 8.6196 116.9619 54.9836 41.4112 173.0708 107 V 4.9686 8.8682 123.0603 61.6651 33.2260 174.4843 108 E 5.3901 9.2406 124.3727 54.4698 33.5985 174.5258 109 L 4.8340 9.1379 121.9122 53.9870 43.2491 176.4195 110 V 3.7939 8.9425 125.7589 62.8680 31.8175 176.6582 111 S 2.7900 9.4910 124.7437 60.8907 62.2935 175.9333 112 L 4.1239 7.6285 117.9176 56.3713 41.7128 177.2642 113 T 4.3801 7.8015 109.3267 60.9471 68.8172 175.0891 114 G 4.0424 7.9558 107.9962 47.5474 0.0000 173.8443 115 Y 3.7669 7.6548 113.0523 58.8674 35.5692 171.5942 116 R 4.4512 7.8885 119.8494 56.9162 31.7406 176.8379 117 L 4.7854 7.8783 116.7965 52.9995 44.5659 176.0632 118 W 5.5656 8.7410 121.0996 55.5703 32.2004 174.8791 119 N 5.5724 9.1011 120.2904 52.0644 42.0434 173.2350 120 D 5.2239 9.0110 126.1422 53.6535 40.7581 175.0379 121 Q 4.7653 10.3103 122.6368 54.0136 34.0040 174.0264 122 V 4.2166 9.1440 121.6403 62.2761 31.7755 176.1572 123 C 4.2565 9.0998 125.4681 60.0030 40.1787 175.1303 124 E 4.2905 8.1938 116.2668 57.0192 29.9269 176.8437 125 S 4.5281 8.7652 116.8947 58.6370 64.3644 173.3227 126 K 5.0818 8.6445 122.1867 55.5665 33.2111 175.5658 127 D 4.8954 9.2466 123.7796 52.2579 45.9500 174.8349 128 A 5.1340 8.8593 122.2184 50.8185 20.7703 176.1540 129 F 5.5146 8.2566 112.2613 55.5909 42.1787 173.6510 130 L 5.0588 8.8820 122.7540 54.0448 43.3710 175.0957 131 C 5.3446 9.4890 124.9923 56.5303 40.5374 172.7564 132 Q 4.8691 9.4353 121.8460 54.8666 31.9905 173.2776 133 C 5.4676 9.4039 122.7301 53.9262 45.2212 172.7941 134 K 4.7584 8.1823 119.3714 54.6908 33.7689 176.6887 135 F 4.1160 8.7277 122.7037 57.4857 39.1996 175.5258 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 N 8.42 4.61 0.00 2.67 2.74 0.00 0.00 6.77 6.77 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 3 C 8.16 4.42 0.00 2.86 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.35 0.00 2.21 1.86 0.00 2.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.28 0.00 5 L 8.49 4.05 0.00 1.63 1.76 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.18 4.82 0.00 2.73 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 7 W 7.99 4.53 0.00 3.06 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 8 L 8.74 4.25 0.00 0.65 1.19 0.66 0.78 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 9 P 0.00 4.94 0.00 1.95 1.94 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 10 M 9.85 4.33 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 11 N 10.13 3.95 0.00 2.88 2.85 0.00 0.00 7.45 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 12 G 8.74 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 13 L 7.85 4.86 0.00 1.54 1.21 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.79 5.68 0.00 3.01 3.12 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 0.00 0.00 0.00 0.00 15 Y 8.97 5.52 0.00 2.79 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 16 K 8.60 4.49 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.30 0.50 7.81 17 I 7.88 4.55 1.52 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.17 0.63 0.00 0.00 18 F 8.28 4.27 0.00 1.51 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 19 N 8.72 4.63 0.00 2.67 2.83 0.00 0.00 7.15 7.69 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 20 Q 7.70 4.24 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.07 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 21 L 8.57 4.88 0.00 1.60 1.69 1.01 0.97 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 22 K 9.66 4.96 0.00 1.58 1.60 0.00 0.99 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.36 1.48 7.81 23 T 8.41 5.41 4.47 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 1.38 0.00 0.00 24 W 8.45 2.62 0.00 1.78 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 E 8.18 3.78 0.00 2.24 1.95 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 2.35 2.47 0.00 26 D 7.95 4.27 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 2.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.40 3.47 0.00 1.18 1.52 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 1.47 1.86 0.00 29 M 7.75 3.91 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 30 F 8.06 3.90 0.00 2.91 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 31 C 8.28 4.54 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 32 R 7.88 3.93 0.00 1.81 1.89 0.00 3.16 0.00 0.00 2.82 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 33 K 7.54 4.23 0.00 1.52 1.69 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.48 7.81 34 Y 7.42 3.87 0.00 2.88 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 35 K 7.20 4.24 0.00 1.76 1.78 0.00 1.23 0.00 0.00 0.78 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.06 7.81 36 P 0.00 4.19 0.00 2.11 2.04 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 37 G 9.12 3.98 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 0.00 0.00 0.00 38 C 7.60 5.30 0.00 3.00 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 39 H 9.16 4.82 0.00 3.07 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.83 4.71 0.00 1.54 1.79 0.23 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 A 9.52 4.62 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 9.01 3.72 0.00 2.72 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 43 F 6.85 4.75 0.00 3.71 3.44 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 0.00 0.00 0.00 0.00 44 H 9.44 5.16 0.00 3.02 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.14 4.18 0.00 1.85 1.87 0.00 2.95 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 46 Y 8.29 4.52 0.00 3.01 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 47 G 8.16 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 48 E 7.96 3.86 0.00 2.12 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 2.18 2.25 0.00 49 S 8.28 4.61 0.00 4.07 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 50 L 7.58 3.89 0.00 1.74 1.62 0.59 0.44 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 51 E 8.35 3.89 0.00 2.12 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 0.00 2.18 2.32 0.00 52 I 8.51 3.73 2.36 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.42 1.16 0.00 0.00 53 A 8.64 4.11 1.59 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 54 E 8.45 3.96 0.00 2.09 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 2.49 2.35 0.00 55 Y 8.21 4.28 0.00 2.92 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 56 I 8.14 3.00 1.28 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.35 -0.06 0.00 0.00 57 S 7.58 4.15 0.00 4.02 3.98 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 58 D 7.90 4.49 0.00 2.88 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 59 Y 7.41 4.18 0.00 2.43 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 60 H 8.25 4.53 0.00 2.71 3.15 0.00 5.95 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.52 4.27 0.00 1.73 1.70 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.30 7.81 62 G 6.41 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 63 Q 9.05 4.50 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 64 E 8.23 4.20 0.00 2.03 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 2.33 2.41 0.00 65 N 8.26 4.84 0.00 2.69 2.74 0.00 0.00 6.21 7.68 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 66 V 8.07 4.77 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 1.08 0.00 0.00 0.86 0.00 0.00 67 W 9.59 5.48 0.00 3.45 3.12 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 0.00 0.00 0.00 0.00 68 I 9.22 5.23 2.45 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 1.19 0.00 0.00 69 G 9.79 4.29 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 0.00 0.00 0.00 70 L 8.30 4.74 0.00 0.27 1.01 -0.04 -0.30 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 71 R 8.62 4.86 0.00 0.77 1.25 0.00 2.94 0.00 0.00 2.63 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.00 72 D 8.89 4.54 0.00 1.58 1.70 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 73 K 8.01 3.54 0.00 1.63 1.73 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.40 7.81 74 K 7.64 4.13 0.00 1.74 1.68 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.33 7.81 75 K 7.57 3.92 0.00 1.28 0.93 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.56 7.81 76 D 7.35 4.62 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 77 F 8.14 3.56 0.00 3.28 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 78 S 7.37 4.79 0.00 3.82 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 79 W 8.18 4.54 0.00 3.27 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 80 E 9.13 4.84 0.00 1.92 1.87 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 2.27 2.48 0.00 81 W 8.42 5.45 0.00 3.49 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 82 T 9.31 4.18 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 83 D 8.46 4.11 0.00 2.68 2.73 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 84 R 8.38 3.97 0.00 2.02 2.14 0.00 3.21 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 85 S 9.02 4.28 0.00 3.91 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 86 C 8.37 4.53 0.00 3.03 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 87 T 8.82 4.95 4.46 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 1.46 0.00 0.00 88 D 8.80 5.09 0.00 2.89 2.85 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 89 Y 8.24 4.94 0.00 3.26 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 90 L 7.66 3.70 0.00 1.33 0.79 1.16 0.77 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 91 T 5.79 3.81 3.38 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 -0.36 0.00 0.00 92 W 6.90 4.77 0.00 3.05 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 93 D 9.47 4.67 0.00 2.89 2.65 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 0.00 0.00 0.00 0.00 94 K 8.51 3.88 0.00 1.78 1.71 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 95 N 8.98 4.28 0.00 2.86 2.86 0.00 0.00 7.01 7.69 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 96 Q 7.82 4.49 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 97 P 0.00 4.40 0.00 2.16 0.49 0.00 2.81 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.13 0.00 98 D 8.47 4.77 0.00 2.79 2.85 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 99 H 9.34 4.14 0.00 3.32 3.18 0.00 5.69 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.29 4.51 0.00 3.12 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 0.00 101 Q 9.83 3.21 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 102 N 8.92 4.23 0.00 2.79 2.90 0.00 0.00 6.84 6.56 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 0.00 103 K 7.92 4.44 0.00 1.68 1.65 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.51 7.81 104 E 7.22 4.54 0.00 1.87 1.95 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 2.33 2.24 0.00 105 F 8.40 5.09 0.00 2.81 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 0.00 106 C 8.62 5.03 0.00 2.61 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 0.00 0.00 0.00 0.00 107 V 8.87 4.97 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 0.73 0.00 0.00 0.87 0.00 0.00 108 E 9.24 5.39 0.00 1.94 1.75 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 2.48 2.26 0.00 109 L 9.14 4.83 0.00 1.85 1.90 1.15 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.94 3.79 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 1.02 0.00 0.00 111 S 9.49 2.79 0.00 3.72 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 0.00 112 L 7.63 4.12 0.00 1.60 1.64 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.80 4.38 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 1.26 0.00 0.00 114 G 7.96 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 0.00 0.00 0.00 115 Y 7.65 3.77 0.00 3.15 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 0.00 116 R 7.89 4.45 0.00 1.86 1.97 0.00 3.12 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 117 L 7.88 4.79 0.00 1.61 1.63 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 W 8.74 5.57 0.00 2.86 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 0.00 119 N 9.10 5.57 0.00 2.91 2.70 0.00 0.00 7.23 8.00 0.00 0.00 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 D 9.01 5.22 0.00 3.14 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 0.00 121 Q 10.31 4.77 0.00 2.40 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 122 V 9.14 4.22 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 1.19 0.00 0.00 0.99 0.00 0.00 123 C 9.10 4.26 0.00 3.03 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 0.00 124 E 8.19 4.29 0.00 2.05 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 0.00 2.36 2.32 0.00 125 S 8.77 4.53 0.00 3.99 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 0.00 126 K 8.64 5.08 0.00 1.71 1.85 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.48 7.81 127 D 9.25 4.90 0.00 1.58 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 0.00 0.00 0.00 0.00 128 A 8.86 5.13 1.19 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 0.00 0.00 129 F 8.26 5.51 0.00 3.28 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 0.00 130 L 8.88 5.06 0.00 1.99 1.84 1.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 131 C 9.49 5.34 0.00 3.27 3.31 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 0.00 132 Q 9.44 4.87 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.02 1.62 0.00 133 C 9.40 5.47 0.00 2.39 2.18 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 0.00 134 K 8.18 4.76 0.00 1.45 1.62 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.32 7.81 135 F 8.73 4.12 0.00 2.84 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