NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4445 8.1927 115.4120 58.0515 64.6571 173.6509 3 S 3.9041 8.5148 113.2127 60.9829 62.0789 174.6780 4 S 4.0872 8.8111 116.7396 61.1773 62.5368 175.5974 5 I 3.6748 7.4693 122.6263 64.5745 36.9031 178.5580 6 R 3.8773 8.3381 119.2151 59.3614 29.8673 179.0054 7 E 4.0029 8.5086 118.6533 59.4560 29.4273 179.0670 8 E 3.9973 8.2528 119.3764 58.8971 29.6004 179.0493 9 V 3.5319 7.8903 118.6362 66.4386 31.5998 177.8607 10 H 4.2247 8.2616 116.0049 58.7304 28.5029 177.8186 11 R 3.9202 8.1446 120.7530 59.4620 29.8993 178.0819 12 H 4.0889 8.3351 118.0869 59.4422 29.7540 177.1919 13 L 4.1045 8.0031 119.4431 57.6894 41.1319 179.3549 14 G 3.7929 7.9468 105.0081 47.4535 0.0000 176.2186 15 T 3.9382 7.9652 118.0170 66.5168 68.5000 177.2430 16 V 3.5587 7.8541 113.9585 64.1150 31.4813 178.3777 17 A 4.0518 7.6895 119.7679 54.9538 17.9015 179.5728 18 L 4.0507 7.9174 116.9970 57.3949 41.7040 178.4146 19 M 4.5041 7.5322 116.3174 53.6704 32.2876 175.7277 20 Q 3.9238 7.2421 121.0462 55.7307 29.4133 174.8402 21 P 4.3549 0.0000 0.0000 63.0863 31.9961 175.2735 22 A 4.4454 8.0496 122.1781 51.5393 21.8169 176.2518 23 L 4.3451 8.3098 120.0398 53.6524 41.3999 176.2538 24 H 4.5119 8.6172 124.5920 54.5220 29.8338 174.3717 25 Q 4.4212 8.1956 129.3521 53.9987 29.0621 175.0430 26 Q 4.1276 8.5005 125.0596 55.9140 29.4790 176.0067 27 T 4.5051 8.3223 111.9017 60.1877 70.7809 174.5644 28 H 4.6514 7.7948 120.1504 54.6326 28.7237 172.5224 29 A 3.6681 8.1171 131.4005 53.2639 15.9697 175.3762 30 P 4.3942 0.0000 0.0000 61.5565 32.8254 177.1807 31 A 4.2454 8.2475 122.0063 51.3380 19.2850 176.9247 32 P 4.2746 0.0000 0.0000 65.9304 31.4705 178.8630 33 T 4.1032 7.8922 105.9884 63.3313 68.8366 174.4809 34 E 4.3724 8.2495 121.1830 56.2575 29.9816 175.6434 35 I 4.3458 7.5160 121.3649 59.8496 37.7048 176.3450 36 T 4.3861 8.2044 116.7878 60.8501 71.2806 174.8825 37 H 4.1757 8.6762 119.8568 59.6975 29.8229 177.0601 38 T 3.8216 7.9367 116.9771 66.7459 68.3370 176.4031 39 L 3.9141 7.9090 120.6541 57.5728 41.6409 179.2668 40 F 4.0415 8.6344 120.9788 61.4609 39.1506 177.2108 41 R 3.9668 8.2260 116.9271 59.2697 30.0024 178.0586 42 A 4.0337 8.0454 120.6616 55.4194 18.1750 179.3226 43 Y 4.1504 8.0840 114.7291 60.5353 37.8881 177.5817 44 T 4.3867 7.2632 108.8779 60.4833 69.3960 175.0275 45 R 4.0004 6.9389 118.3361 56.3866 30.4516 176.1079 46 V 3.9760 7.9900 118.4228 60.8385 31.8932 174.4716 47 P 4.0635 0.0000 0.0000 65.9767 31.1530 177.4004 48 H 4.5974 6.9957 110.8920 56.8256 28.7276 175.7749 49 D 4.5536 7.6670 120.7530 53.2824 39.3427 175.6452 50 V 4.6202 7.2505 114.2013 59.4521 33.2396 176.2167 51 G 3.8800 8.0344 109.4887 47.5328 0.0000 173.8139 52 G 3.9992 8.9659 113.4594 45.1042 0.0000 173.5045 53 E 4.0801 8.0528 120.0194 55.7646 30.0907 176.3636 54 A 4.2066 8.3314 125.8223 52.4751 19.0921 176.2102 55 D 4.6396 8.1473 119.5967 53.2352 44.3548 174.8028 56 V 4.1659 7.8997 115.9621 59.3308 33.1464 174.1943 57 P 4.4940 0.0000 0.0000 62.1661 31.9430 176.1874 58 I 4.4004 7.2898 113.8761 58.7806 40.5059 175.0088 59 E 4.0040 8.4123 123.1017 55.2808 28.5852 175.8695 60 Y 4.3321 8.0511 124.3356 58.4484 38.5305 175.7934 61 H 5.0385 8.2546 117.6574 53.7763 31.8323 172.6188 62 E 4.4962 8.4820 119.7174 55.2483 30.9562 175.7471 63 K 4.5762 7.9801 120.0012 54.5972 35.2452 175.7512 64 E 4.0628 8.6190 125.4561 56.2085 30.0972 176.1349 65 E 4.2104 8.3902 123.3333 55.7495 30.6924 176.7890 66 E 4.2510 8.9029 126.0466 55.6113 31.7555 178.0250 67 I 3.7179 8.3689 123.2794 64.5019 37.2624 178.8740 68 W 4.8592 8.2561 118.2016 59.0241 27.9325 178.1813 69 E 2.8635 6.9023 119.1439 58.6031 28.7153 178.7309 70 L 3.8450 7.4803 120.3296 58.2478 42.1115 178.7740 71 N 4.3921 8.2898 116.4025 56.6038 38.3791 177.6123 72 T 4.0250 8.2921 117.6013 66.5532 68.6051 176.4651 73 F 4.1940 8.3481 122.7535 61.3645 39.3241 176.9933 74 A 3.9331 8.4050 120.6161 55.4084 18.1424 179.7374 75 T 3.8683 8.2479 114.3491 67.0977 68.4345 176.7036 76 C 4.6240 8.5790 118.8030 63.1280 28.2006 176.1046 77 E 4.1295 8.3114 120.2086 59.4834 28.9219 179.1576 78 C 4.5784 8.5740 117.2113 62.8310 28.1135 176.0906 79 L 3.8773 8.3767 120.5845 57.4186 41.0390 179.4846 80 A 5.1870 8.1496 122.3581 54.4736 18.2713 179.1509 81 W 4.3961 8.7527 126.4681 60.9932 30.6966 176.9880 82 R 4.0938 8.3023 114.4048 56.0911 29.1741 177.3654 83 G 3.9916 8.3529 105.6185 45.8836 0.0000 175.4595 84 V 3.6730 8.1588 121.6210 65.1748 31.8050 175.6248 85 W 5.0852 7.9063 114.6864 55.0155 30.5369 172.8858 86 T 4.8395 8.6761 109.5138 59.9343 71.6281 175.3606 87 A 3.6079 8.2853 123.2573 55.3591 18.2896 179.9356 88 E 3.8641 7.9534 116.5786 59.4960 29.5529 179.2359 89 E 3.9071 7.7685 118.4936 59.1294 29.4640 179.2726 90 R 2.9611 7.1811 118.6524 59.1469 29.9512 178.6510 91 R 3.5893 7.8287 118.1167 59.2092 29.9573 179.0192 92 R 3.7583 7.7487 118.2756 59.3749 29.8445 178.7977 93 K 4.1265 7.9229 118.3015 59.4075 31.5855 179.2692 94 Q 4.1618 8.5709 121.5309 57.9774 27.6446 176.8618 95 N 5.0101 8.4917 115.4267 53.3071 39.3240 175.2457 96 C 4.1560 7.4728 115.7522 61.3400 30.6024 175.9796 97 D 4.4098 8.1818 118.1462 57.3560 40.4789 178.7268 98 V 3.6552 7.1541 111.2045 62.2844 31.8526 177.0330 99 G 4.1452 8.0563 106.2604 45.7159 0.0000 174.0355 100 Q 4.0339 8.8181 121.2146 59.7000 28.7698 179.5811 101 T 3.9030 7.9561 115.6329 66.9134 68.6356 176.6977 102 V 3.6261 7.8092 119.5047 65.9325 31.7497 176.9142 103 Y 4.2227 8.3753 119.7270 60.4986 38.3900 177.6718 104 L 4.5262 7.8093 116.0943 55.0906 42.9004 178.4347 105 G 3.8092 8.2810 105.5827 45.9627 0.0000 173.9374 106 M 4.5693 7.3335 119.2858 52.8947 34.0973 174.0849 107 P 4.5784 0.0000 0.0000 62.3126 32.1711 176.5310 108 Y 4.1608 8.7332 120.3945 62.1017 38.5007 178.4017 109 Y 4.5445 8.2645 116.3510 60.1169 38.1157 178.3686 110 G 3.9482 8.4777 107.6885 47.9348 0.0000 176.1394 111 R 4.1041 8.1445 120.6064 58.7099 30.1654 179.0510 112 W 4.4301 8.5087 119.7474 59.1638 29.1753 178.1314 113 L 4.2181 8.6129 120.1461 58.3599 41.5604 178.8996 114 L 4.0902 8.3013 119.0035 58.3405 41.6734 179.7683 115 T 4.0379 8.3118 115.3792 66.3484 67.9258 176.8436 116 A 4.0020 8.2642 122.7330 54.9601 18.1158 179.5443 117 A 3.9898 8.1638 119.4485 55.1592 18.4390 179.7745 118 R 3.9072 8.2219 117.4834 59.7382 30.2084 178.6006 119 I 3.7931 8.0216 118.5038 63.9660 37.7786 177.7540 120 L 4.0687 7.5030 118.8282 57.7072 41.4310 179.6184 121 V 3.9717 7.3684 117.9437 65.3075 31.3955 177.8595 122 D 4.3835 8.3523 117.9118 56.8620 40.7065 177.9470 123 K 4.1463 7.7534 116.1301 55.2140 32.3218 176.5193 124 Q 3.4910 7.6883 116.9940 56.9612 26.7289 175.0825 125 F 4.4670 8.0432 118.0585 59.5529 39.4983 176.6156 126 V 4.6921 7.3533 112.5888 58.8501 35.7065 174.5894 127 T 4.2682 8.9840 113.9380 60.8634 71.2510 175.9060 128 L 3.8992 8.2747 123.0090 58.4482 41.9797 179.3454 129 T 3.8315 7.7756 115.4087 66.6605 68.4472 176.1908 130 E 3.9458 8.2649 120.5789 59.1887 29.4622 179.2521 131 L 3.9404 7.8604 120.3233 58.5285 42.3327 178.7119 132 H 4.2835 8.4563 116.4974 59.0997 28.5761 177.6086 133 N 4.3892 8.5358 118.5558 56.0427 38.2408 177.4214 134 K 3.9322 8.2689 121.1803 59.5671 32.3218 178.9147 135 I 3.6800 7.8652 120.1081 64.3423 36.9704 178.5925 136 V 3.5725 7.7304 118.8018 65.9338 31.4233 177.6175 137 E 4.0795 8.3107 119.2280 59.5916 29.4060 178.5212 138 M 4.0568 8.3837 118.5004 58.7484 32.3106 178.4825 139 R 3.9771 8.1076 118.2819 59.1958 30.1555 178.8935 140 E 4.0379 8.4242 118.6015 59.1883 29.4489 179.5832 141 R 3.9639 7.8111 119.5709 58.5911 29.9242 179.0542 142 V 3.5748 7.3757 116.1394 66.0258 31.8051 177.7053 143 A 4.1150 8.0167 120.4902 55.2031 18.0136 179.6266 144 S 4.2322 8.7007 112.7733 59.6149 62.6651 175.8666 145 G 3.8603 7.8868 110.3150 46.5891 0.0000 174.6797 146 Q 4.1542 8.0096 116.0338 54.9209 28.8737 176.1838 147 G 3.9425 8.0123 109.8675 44.7139 0.0000 173.8308 148 L 4.5470 8.7158 118.3692 53.2119 44.5983 177.2856 149 G 3.5913 8.4285 117.6131 46.9979 0.0000 172.3638 150 E 4.3127 8.2673 122.6538 56.4306 30.0859 176.7316 151 Y 4.5837 7.6012 118.9174 59.8020 38.9795 175.0952 152 L 4.6712 7.3830 117.8762 53.5364 45.3281 172.4199 153 P 4.8371 0.0000 0.0000 61.6733 32.6148 174.1104 154 P 4.7579 0.0000 0.0000 62.0272 32.2916 176.4548 155 K 3.8756 8.6610 120.9590 57.2146 32.1186 177.6135 156 A 4.5643 8.5329 131.9860 52.1510 18.7035 177.3165 157 K 4.1930 8.5888 114.7402 57.8871 32.8295 176.3930 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 4.44 0.00 4.02 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 S 8.51 3.90 0.00 3.99 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 4 S 8.81 4.09 0.00 3.93 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 5 I 7.47 3.67 2.09 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 1.53 0.72 0.89 0.00 0.00 6 R 8.34 3.88 0.00 1.81 2.02 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 7 E 8.51 4.00 0.00 2.23 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 0.00 2.35 2.49 0.00 8 E 8.25 4.00 0.00 2.12 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 0.00 2.29 2.32 0.00 9 V 7.89 3.53 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 0.94 0.00 0.00 0.94 0.00 0.00 10 H 8.26 4.22 0.00 3.23 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.14 3.92 0.00 2.04 2.11 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 12 H 8.34 4.09 0.00 3.38 3.52 0.00 5.85 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 13 L 8.00 4.10 0.00 1.83 1.75 0.95 0.84 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 14 G 7.95 3.79 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 0.00 0.00 0.00 15 T 7.97 3.94 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 16 V 7.85 3.56 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 0.63 0.00 0.00 0.90 0.00 0.00 17 A 7.69 4.05 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 18 L 7.92 4.05 0.00 1.71 1.74 0.91 0.87 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 19 M 7.53 4.50 0.00 1.99 2.15 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 2.56 2.51 0.00 20 Q 7.24 3.92 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.35 0.00 2.08 1.97 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 22 A 8.05 4.45 1.22 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 0.00 0.00 0.00 23 L 8.31 4.35 0.00 1.65 1.66 0.93 1.03 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 24 H 8.62 4.51 0.00 3.07 3.25 0.00 5.89 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.20 4.42 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 26 Q 8.50 4.13 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.47 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 27 T 8.32 4.51 4.21 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 0.00 0.00 0.00 1.26 0.00 0.00 28 H 7.79 4.65 0.00 3.21 3.31 0.00 5.68 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 29 A 8.12 3.67 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 30 P 0.00 4.39 0.00 2.19 2.04 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 31 A 8.25 4.25 1.29 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 32 P 0.00 4.27 0.00 2.20 2.16 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 33 T 7.89 4.10 4.25 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 1.22 0.00 0.00 34 E 8.25 4.37 0.00 2.14 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 2.29 2.42 0.00 35 I 7.52 4.35 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.89 1.16 0.00 0.00 36 T 8.20 4.39 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 1.25 0.00 0.00 37 H 8.68 4.18 0.00 3.26 3.38 0.00 5.87 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 38 T 7.94 3.82 4.25 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 1.19 0.00 0.00 39 L 7.91 3.91 0.00 1.96 1.90 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.63 4.04 0.00 3.32 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 41 R 8.23 3.97 0.00 1.80 2.04 0.00 3.34 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 42 A 8.05 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.08 4.15 0.00 2.86 2.82 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 44 T 7.26 4.39 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 0.62 0.00 0.00 45 R 6.94 4.00 0.00 1.85 2.12 0.00 3.05 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.51 0.00 46 V 7.99 3.98 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 0.80 0.00 0.00 0.89 0.00 0.00 47 P 0.00 4.06 0.00 1.59 1.76 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 48 H 7.00 4.60 0.00 3.34 3.39 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.67 4.55 0.00 2.69 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 50 V 7.25 4.62 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 1.21 0.00 0.00 1.00 0.00 0.00 51 G 8.03 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 0.00 0.00 0.00 52 G 8.97 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 53 E 8.05 4.08 0.00 2.14 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 2.34 2.39 0.00 54 A 8.33 4.21 1.24 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 55 D 8.15 4.64 0.00 2.61 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 56 V 7.90 4.17 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 0.77 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.49 0.00 1.97 1.90 0.00 3.58 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 2.03 0.00 58 I 7.29 4.40 1.72 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 0.79 0.73 0.86 0.00 0.00 59 E 8.41 4.00 0.00 1.88 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 2.28 2.30 0.00 60 Y 8.05 4.33 0.00 3.01 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 61 H 8.25 5.04 0.00 3.16 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.48 4.50 0.00 1.97 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 2.26 2.21 0.00 63 K 7.98 4.58 0.00 1.67 1.58 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.43 7.81 64 E 8.62 4.06 0.00 1.97 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 0.00 2.29 2.28 0.00 65 E 8.39 4.21 0.00 1.82 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 2.10 2.09 0.00 66 E 8.90 4.25 0.00 1.21 1.58 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 2.20 2.32 0.00 67 I 8.37 3.72 2.20 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 1.77 1.13 0.97 0.00 0.00 68 W 8.26 4.86 0.00 3.53 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 69 E 6.90 2.86 0.00 1.48 1.12 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 1.47 1.47 0.00 70 L 7.48 3.85 0.00 1.76 1.75 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.29 4.39 0.00 3.12 2.99 0.00 0.00 7.08 6.60 0.00 0.00 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 T 8.29 4.02 4.34 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 1.62 0.00 0.00 73 F 8.35 4.19 0.00 2.78 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 74 A 8.41 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.25 3.87 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 1.27 0.00 0.00 76 C 8.58 4.62 0.00 3.57 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 77 E 8.31 4.13 0.00 1.82 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 1.84 1.91 0.00 78 C 8.57 4.58 0.00 3.24 3.01 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 79 L 8.38 3.88 0.00 1.89 1.21 0.60 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.15 5.19 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.75 4.40 0.00 3.25 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 82 R 8.30 4.09 0.00 1.71 1.71 0.00 3.01 0.00 0.00 2.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.00 83 G 8.35 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.16 3.67 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 0.52 0.00 0.00 0.45 0.00 0.00 85 W 7.91 5.09 0.00 3.63 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 86 T 8.68 4.84 4.23 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 1.26 0.00 0.00 87 A 8.29 3.61 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 88 E 7.95 3.86 0.00 1.93 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 2.31 0.00 89 E 7.77 3.91 0.00 2.16 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 2.36 2.32 0.00 90 R 7.18 2.96 0.00 0.67 1.21 0.00 2.58 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.70 0.00 91 R 7.83 3.59 0.00 1.83 1.85 0.00 3.30 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.65 0.00 92 R 7.75 3.76 0.00 1.78 2.00 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 93 K 7.92 4.13 0.00 2.01 1.90 0.00 1.89 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.64 7.81 94 Q 8.57 4.16 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 95 N 8.49 5.01 0.00 2.74 2.90 0.00 0.00 6.80 7.55 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 96 C 7.47 4.16 0.00 3.00 2.70 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 97 D 8.18 4.41 0.00 2.75 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 98 V 7.15 3.66 2.16 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 0.79 0.00 0.00 1.09 0.00 0.00 99 G 8.06 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.82 4.03 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 101 T 7.96 3.90 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 1.25 0.00 0.00 102 V 7.81 3.63 2.34 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 1.11 0.00 0.00 0.98 0.00 0.00 103 Y 8.38 4.22 0.00 3.24 3.22 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 0.00 104 L 7.81 4.53 0.00 1.73 1.70 1.07 0.71 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 0.00 105 G 8.28 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 0.00 0.00 0.00 106 M 7.33 4.57 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 107 P 0.00 4.58 0.00 2.48 2.15 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 108 Y 8.73 4.16 0.00 2.97 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 0.00 109 Y 8.26 4.54 0.00 2.95 2.75 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 0.00 110 G 8.48 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 0.00 111 R 8.14 4.10 0.00 2.06 2.06 0.00 3.28 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 112 W 8.51 4.43 0.00 3.85 3.59 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 0.00 113 L 8.61 4.22 0.00 2.25 2.17 1.06 0.38 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 0.00 114 L 8.30 4.09 0.00 1.84 1.78 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.31 4.04 4.58 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 1.45 0.00 0.00 116 A 8.26 4.00 1.53 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 0.00 0.00 0.00 117 A 8.16 3.99 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 0.00 118 R 8.22 3.91 0.00 2.13 2.16 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 119 I 8.02 3.79 1.60 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.94 0.19 0.00 0.00 120 L 7.50 4.07 0.00 1.94 1.72 0.89 0.64 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 0.00 121 V 7.37 3.97 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 1.29 0.00 0.00 0.96 0.00 0.00 122 D 8.35 4.38 0.00 2.73 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 0.00 123 K 7.75 4.15 0.00 1.79 1.25 0.00 1.86 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.75 7.81 124 Q 7.69 3.49 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 125 F 8.04 4.47 0.00 3.16 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 0.00 126 V 7.35 4.69 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 0.84 0.00 0.00 0.94 0.00 0.00 127 T 8.98 4.27 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 128 L 8.27 3.90 0.00 1.71 1.62 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.78 3.83 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 1.21 0.00 0.00 130 E 8.26 3.95 0.00 2.17 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 2.33 2.31 0.00 131 L 7.86 3.94 0.00 1.76 1.80 0.93 1.09 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 0.00 132 H 8.46 4.28 0.00 3.34 3.30 0.00 5.69 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 0.00 133 N 8.54 4.39 0.00 2.87 2.87 0.00 0.00 6.68 8.74 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 0.00 134 K 8.27 3.93 0.00 2.02 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.87 3.68 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 1.40 0.81 0.89 0.00 0.00 136 V 7.73 3.57 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 0.99 0.00 0.00 0.98 0.00 0.00 137 E 8.31 4.08 0.00 2.23 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 2.31 2.32 0.00 138 M 8.38 4.06 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 139 R 8.11 3.98 0.00 2.05 1.95 0.00 3.16 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 140 E 8.42 4.04 0.00 2.18 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 2.33 2.67 0.00 141 R 7.81 3.96 0.00 2.10 2.16 0.00 3.17 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 142 V 7.38 3.57 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 0.81 0.00 0.00 0.98 0.00 0.00 143 A 8.02 4.11 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 0.00 144 S 8.70 4.23 0.00 4.02 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 0.00 145 G 7.89 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 0.00 0.00 0.00 146 Q 8.01 4.15 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 147 G 8.01 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 0.00 0.00 0.00 148 L 8.72 4.55 0.00 1.76 1.70 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.43 3.59 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 0.00 150 E 8.27 4.31 0.00 1.94 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 1.59 1.86 0.00 151 Y 7.60 4.58 0.00 3.25 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 0.00 152 L 7.38 4.67 0.00 1.79 1.53 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.84 0.00 2.12 2.04 0.00 3.85 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 2.00 2.01 0.00 154 P 0.00 4.76 0.00 1.96 2.04 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.32 0.00 155 K 8.66 3.88 0.00 1.62 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.57 7.81 156 A 8.53 4.56 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 0.00 157 K 8.59 4.19 0.00 1.85 1.77 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.39 7.81