NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3707 8.3344 115.2980 58.4035 64.3258 174.0558 0 H 4.3541 7.9771 118.1450 54.2803 30.5306 172.0156 1 M 2.5924 6.9910 118.3039 53.7994 34.0830 173.6210 2 V 3.9553 5.4500 118.5321 60.4042 34.7383 175.0326 3 N 4.4856 8.3961 123.7788 53.5092 39.8864 173.9230 4 I 4.7616 8.2458 122.6011 59.7431 40.0583 174.8471 5 I 4.1147 8.6451 129.2751 60.0528 38.6849 174.9895 6 Q 4.7618 8.4994 126.2219 54.3137 29.6027 176.6493 7 K 4.7917 8.6581 124.0259 54.5719 31.8089 176.4157 8 F 4.6257 8.3315 119.3083 57.8723 40.3514 176.3806 9 I 4.0173 8.2892 123.4295 60.1761 37.5826 174.3716 10 P 4.2070 0.0000 0.0000 62.5946 31.9443 175.9547 11 V 3.7038 8.0802 121.0286 64.1806 32.0167 176.3495 12 G 3.9314 8.7950 113.7136 45.3459 0.0000 173.7838 13 A 4.0927 7.3004 122.2857 52.2801 19.0220 178.2016 14 N 4.3031 8.8030 117.5017 56.3087 38.6721 176.1422 15 N 4.9047 7.9894 112.3691 52.5501 37.5562 175.3609 16 R 4.2258 7.2281 120.3820 53.3226 29.7352 173.2499 17 P 4.0339 0.0000 0.0000 65.5052 31.4590 177.9051 18 G 3.7759 7.8515 102.8053 44.9220 0.0000 172.6190 19 Y 4.5177 7.2727 117.5298 57.2185 39.0310 175.2185 20 A 4.5172 8.7919 125.8221 52.5767 19.4194 176.4004 21 M 4.6863 9.9667 122.0594 53.7064 36.2004 174.2903 22 K 4.6804 8.5204 125.5637 52.4703 32.3720 172.0680 23 P 4.3909 0.0000 0.0000 63.2177 31.3487 176.8413 24 K 4.5984 8.9943 119.8626 56.1176 34.2298 175.0160 25 Y 5.1910 7.9754 116.6993 56.5067 43.4369 173.8891 26 I 5.1333 9.1066 120.2079 60.2927 41.3178 174.7223 27 T 5.2245 9.3974 124.6214 62.0580 70.7991 173.7256 28 V 4.8198 8.8610 126.7740 61.8950 33.7443 174.3255 29 H 5.4496 9.2995 123.6023 54.1624 33.6138 172.0764 30 N 5.2093 8.4613 115.8977 52.0273 41.1213 174.9944 31 T 3.7613 8.7529 115.4965 62.7913 68.9956 175.0285 32 A 3.6945 8.3484 121.4631 52.4238 16.9728 176.9722 33 N 4.6736 7.6874 116.1044 52.7043 38.1684 174.1044 34 T 4.9852 8.3589 112.2661 60.7735 69.4289 174.6448 35 A 4.3182 8.3181 127.0344 51.7760 18.9001 178.1714 36 V 3.9788 8.2720 122.6538 63.4850 31.6086 176.7664 37 G 3.9003 9.2975 112.5354 45.3331 0.0000 173.5381 38 A 4.3363 7.5540 124.1843 51.6042 17.7085 176.5941 39 D 4.8393 7.5416 123.4586 52.2546 43.7019 175.7621 40 A 4.0539 8.4536 119.6680 55.9032 18.3852 179.6338 41 A 2.5952 7.8883 118.1023 54.9218 18.2776 179.3774 42 A 3.9285 8.4032 119.1420 55.8946 18.5227 179.7010 43 H 4.2270 8.4638 114.0082 58.4654 28.4790 178.0413 44 A 4.0184 7.5610 122.4791 55.1396 18.6337 179.5366 45 R 3.9992 8.0364 116.6374 59.4914 30.1074 178.5523 46 Y 4.1453 8.2358 119.4758 60.7903 38.6152 177.9446 47 L 3.7768 7.7704 117.2750 55.9244 41.7284 178.2295 48 K 4.3515 7.2061 117.2591 54.9203 32.9505 175.2672 49 N 4.5881 7.2377 119.6382 51.8958 39.5505 174.3263 50 P 4.2928 0.0000 0.0000 65.3529 31.6525 177.1580 51 D 4.4832 8.4252 117.5307 56.3999 41.1809 177.3452 52 T 3.7470 7.4353 116.2953 64.2324 68.4376 173.9457 53 T 4.4832 8.5737 115.3993 61.3997 69.3610 173.4549 54 T 5.1839 7.2268 111.5368 60.4973 72.1162 172.9785 55 S 4.2928 9.0013 113.8848 57.4377 65.8945 174.6124 56 W 5.1245 7.4948 118.0426 55.7406 31.1659 174.1720 57 H 4.2842 9.0277 115.7987 57.8912 29.6423 175.9244 58 F 5.7554 8.9534 115.4378 56.1920 43.8514 174.1544 59 T 5.3864 9.4488 118.3871 61.9502 72.1088 173.0076 60 V 5.1130 9.4905 126.4808 61.2928 34.4035 174.1247 61 D 5.4158 8.7116 126.5409 51.5067 42.7603 175.6999 62 D 4.6901 9.0292 116.6788 54.8619 39.5287 176.4993 63 K 4.5153 7.8673 116.8410 56.2316 34.3397 174.7454 64 E 4.8372 8.7081 117.1022 56.2759 33.5387 174.5684 65 I 5.4065 8.1970 119.0666 59.8570 41.4906 174.5387 66 Y 5.1041 9.1145 122.3562 56.2959 41.5055 174.2049 67 Q 4.9443 9.0787 125.1098 55.1009 30.8126 175.3979 68 H 5.0269 8.8734 122.8827 56.1632 31.3351 174.7857 69 L 4.2503 7.0636 116.1278 51.3902 45.3737 174.4737 70 P 4.2086 0.0000 0.0000 62.5178 31.8835 177.1667 71 L 4.1080 8.3807 118.8207 56.2075 41.7496 177.4120 72 N 4.9146 7.8989 115.1918 52.0326 38.0448 173.9014 73 E 5.5450 7.8546 118.0829 53.9951 32.8314 174.9797 74 N 4.7899 8.4632 119.1400 51.8734 39.9178 173.2763 75 G 3.9055 7.9011 104.8504 44.7144 0.0000 172.1314 76 W 5.6015 8.3991 119.3073 56.0430 30.1312 176.0891 77 H 4.7802 10.1188 119.3941 56.2764 34.0011 175.2305 78 A 4.1677 8.2734 122.7791 52.8175 18.7994 176.9492 79 G 3.9319 8.4535 102.8948 46.8537 0.0000 173.3456 80 D 4.8224 7.4809 113.6216 52.4095 41.9898 179.1349 81 G 3.8952 8.7343 113.0365 47.9510 0.0000 175.0517 82 N 4.9789 9.2623 114.3613 52.7209 39.7928 175.6248 83 G 3.8258 8.0415 107.5394 44.1646 0.0000 174.5397 84 S 4.0317 8.3059 115.0711 61.2557 62.4134 176.8198 85 G 2.2347 5.8907 107.2797 47.4441 0.0000 174.9347 86 N 4.4581 7.7127 118.6984 54.8602 38.7089 177.1954 87 R 4.3625 7.7131 116.9975 56.3983 31.1964 176.2495 88 A 5.0315 8.5475 122.1154 50.8919 19.6159 175.5953 89 S 5.2275 8.1945 111.9185 58.6041 66.7635 173.2245 90 I 4.2927 8.6160 122.3331 59.8829 39.1252 174.9537 91 G 4.3271 9.0862 114.5546 45.2281 0.0000 172.3080 92 I 5.4794 8.9431 125.8221 59.6777 40.5808 174.3194 93 E 4.8788 9.7088 126.8540 54.5794 32.3541 174.9510 94 I 4.9389 7.9436 123.9533 59.6448 39.8390 175.3360 95 C 4.6706 9.1061 125.2642 59.4606 29.2257 173.3193 96 E 4.8112 8.5214 118.7910 55.7879 30.8808 175.2398 97 N 4.6709 8.4931 117.0891 53.2018 37.5310 175.0119 98 A 3.9873 8.4253 126.7876 55.5042 18.4394 178.1509 99 D 4.7111 8.1235 112.0040 53.5674 39.2354 175.5089 100 G 4.1450 8.1925 108.5483 44.2511 0.0000 173.0199 101 D 4.7821 9.9063 119.3495 52.1702 41.8650 175.9657 102 F 4.1654 8.7868 129.4744 61.1331 39.4949 176.2676 103 A 3.8806 8.2500 119.8454 55.2740 18.1517 179.3864 104 K 3.8467 8.1542 117.2227 59.4977 32.1444 178.8706 105 A 4.2112 7.9277 122.4877 54.9145 18.2507 179.6305 106 T 3.6750 8.0059 114.3922 66.6388 68.4184 176.7207 107 A 4.6283 7.8390 123.8573 54.9703 18.6162 179.3799 108 N 4.3686 8.4084 114.8716 56.5303 38.4630 177.5389 109 A 4.1521 8.3450 122.4719 55.2274 18.6154 179.7151 110 Q 3.8087 8.3472 116.7634 58.5654 28.5889 178.6315 111 W 4.0449 8.4638 129.6454 60.3526 30.7231 177.4001 112 L 3.1605 8.0052 119.7145 58.3102 41.3924 179.1347 113 I 3.6144 7.8599 119.5348 64.2812 36.8816 178.3826 114 K 3.8096 7.8900 120.3846 59.6491 31.9909 179.0680 115 T 3.5828 7.5129 116.2390 66.4767 68.2419 176.7443 116 L 4.0317 7.9461 121.1797 57.9240 41.6129 179.2676 117 M 4.0843 8.1965 118.6227 58.2801 31.3037 178.7768 118 A 3.9291 7.6609 120.8096 55.2477 18.5430 179.6644 119 E 3.8972 8.1079 115.5637 59.0633 29.6329 177.8028 120 H 4.6017 8.5432 113.4368 54.4815 29.8194 173.8151 121 N 4.0900 7.5821 116.1032 54.9236 37.1233 174.1980 122 I 4.3885 8.0563 118.5204 59.0632 39.8224 176.7439 123 S 4.3209 8.3647 120.0455 57.7739 63.7161 175.0515 124 L 3.9143 8.3625 122.0307 57.7935 42.1070 178.9141 125 A 4.0377 7.3933 120.9006 54.9970 18.5776 177.7058 126 N 4.7055 8.0683 112.2151 53.5686 38.4086 174.5696 127 V 4.7598 7.4986 119.6061 61.9829 31.8016 175.3529 128 V 4.7851 9.0666 121.7327 58.7743 35.7294 173.5376 129 P 4.7277 0.0000 0.0000 61.9188 33.1165 176.5120 130 H 4.2224 8.5479 118.9526 59.5286 29.7556 176.8080 131 K 3.7718 7.8345 122.5947 59.0995 31.5364 177.6747 132 Y 3.8706 7.3309 118.2619 60.0624 38.5559 177.5136 133 W 4.5064 7.8651 119.0540 59.0497 29.5753 177.4516 134 S 4.5098 8.0731 109.9029 57.9263 63.8698 174.9502 135 G 3.9534 7.8005 107.5822 44.8305 0.0000 173.9815 136 K 4.0203 7.6570 121.2142 56.3392 32.7347 176.4055 137 E 4.4670 8.3102 125.1550 55.5874 27.6949 174.6662 138 C 4.7053 7.5836 121.1140 56.6239 35.2504 171.1767 139 P 4.6241 0.0000 0.0000 62.2881 31.5127 176.7084 140 R 3.8475 8.9478 120.8568 59.3026 29.0073 178.5360 141 K 4.1378 7.9284 114.5796 56.8201 32.3370 177.3010 142 L 4.7606 7.5732 118.4592 55.4366 43.9572 178.4841 143 L 4.0286 8.0861 118.1612 57.9915 41.8853 178.2906 144 D 4.4816 8.4396 117.1007 56.7249 42.0896 176.7654 145 K 4.7507 7.6852 116.4704 55.2951 32.3271 176.7309 146 W 4.3791 8.1355 131.1669 61.1800 31.2236 176.5829 147 D 4.2788 8.1923 118.5596 57.4511 40.3995 178.5428 148 S 4.0841 8.0944 115.1122 61.5350 62.6242 176.3681 149 F 4.0025 7.7014 121.4844 61.4118 39.5473 177.1550 150 K 3.4966 7.6399 117.6197 58.9370 31.5063 179.3047 151 A 4.0612 8.1397 120.9578 54.4713 18.2664 178.8496 152 G 3.7694 7.2994 102.0868 45.1636 0.0000 174.7831 153 I 3.6015 7.2316 123.2346 61.7161 37.5788 176.3943 154 G 4.2338 7.8939 112.5279 45.9911 0.0000 172.9827 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 S 8.33 4.37 0.00 3.85 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 0 H 7.98 4.35 0.00 3.13 3.17 0.00 6.01 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 6.99 2.59 0.00 1.85 1.43 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.38 0.00 2 V 5.45 3.96 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 0.79 0.00 0.00 0.66 0.00 0.00 3 N 8.40 4.49 0.00 2.65 2.66 0.00 0.00 6.91 7.23 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 4 I 8.25 4.76 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.97 1.14 0.00 0.00 5 I 8.65 4.11 0.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.58 0.63 0.00 0.00 6 Q 8.50 4.76 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.37 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 7 K 8.66 4.79 0.00 1.92 1.87 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.65 1.91 7.81 8 F 8.33 4.63 0.00 2.80 2.92 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 9 I 8.29 4.02 1.74 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.90 0.00 0.00 10 P 0.00 4.21 0.00 2.14 2.00 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 11 V 8.08 3.70 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 0.74 0.00 0.00 0.93 0.00 0.00 12 G 8.80 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.30 4.09 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 14 N 8.80 4.30 0.00 2.70 2.90 0.00 0.00 6.92 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 15 N 7.99 4.90 0.00 2.92 3.08 0.00 0.00 5.73 7.66 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 16 R 7.23 4.23 0.00 1.58 1.73 0.00 3.22 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 17 P 0.00 4.03 0.00 1.78 1.70 0.00 3.25 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.31 0.00 18 G 7.85 3.78 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 0.00 0.00 0.00 19 Y 7.27 4.52 0.00 3.07 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 20 A 8.79 4.52 1.25 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 0.00 0.00 21 M 9.97 4.69 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 22 K 8.52 4.68 0.00 1.69 1.67 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.46 7.81 23 P 0.00 4.39 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 24 K 8.99 4.60 0.00 1.68 1.58 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.52 7.81 25 Y 7.98 5.19 0.00 3.09 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 26 I 9.11 5.13 2.03 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 1.34 0.95 1.12 0.00 0.00 27 T 9.40 5.22 4.51 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 1.41 0.00 0.00 28 V 8.86 4.82 2.44 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 1.02 0.00 0.00 1.32 0.00 0.00 29 H 9.30 5.45 0.00 3.03 3.06 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 30 N 8.46 5.21 0.00 2.52 2.88 0.00 0.00 6.86 7.54 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 31 T 8.75 3.76 4.27 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 1.11 0.00 0.00 32 A 8.35 3.69 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 33 N 7.69 4.67 0.00 2.70 2.78 0.00 0.00 7.12 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 34 T 8.36 4.99 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 1.16 0.00 0.00 35 A 8.32 4.32 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 36 V 8.27 3.98 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 0.74 0.00 0.00 0.99 0.00 0.00 37 G 9.30 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.55 4.34 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.54 4.84 0.00 3.20 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 40 A 8.45 4.05 1.68 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 41 A 7.89 2.60 1.14 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 0.00 0.00 42 A 8.40 3.93 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 43 H 8.46 4.23 0.00 3.63 3.70 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.56 4.02 1.25 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 0.00 0.00 45 R 8.04 4.00 0.00 2.06 2.00 0.00 3.15 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 1.65 1.75 0.00 46 Y 8.24 4.15 0.00 2.99 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 47 L 7.77 3.78 0.00 1.39 1.30 -0.59 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.21 4.35 0.00 1.83 1.78 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.55 7.81 49 N 7.24 4.59 0.00 2.62 2.53 0.00 0.00 7.19 8.80 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 50 P 0.00 4.29 0.00 2.05 2.08 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 51 D 8.43 4.48 0.00 2.80 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 52 T 7.44 3.75 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 0.85 0.00 0.00 53 T 8.57 4.48 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 1.21 0.00 0.00 54 T 7.23 5.18 4.75 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 1.41 0.00 0.00 55 S 9.00 4.29 0.00 3.53 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 7.49 5.12 0.00 3.37 3.11 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 57 H 9.03 4.28 0.00 3.10 2.82 0.00 5.56 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.95 5.76 0.00 3.13 2.93 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 59 T 9.45 5.39 4.65 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 1.40 0.00 0.00 60 V 9.49 5.11 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 1.25 0.00 0.00 1.07 0.00 0.00 61 D 8.71 5.42 0.00 2.89 2.86 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 62 D 9.03 4.69 0.00 2.81 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 63 K 7.87 4.52 0.00 1.85 1.93 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.49 7.81 64 E 8.71 4.84 0.00 1.99 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 2.41 2.42 0.00 65 I 8.20 5.41 2.09 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 1.08 0.00 0.00 66 Y 9.11 5.10 0.00 3.08 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 67 Q 9.08 4.94 0.00 2.49 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.17 1.49 0.00 68 H 8.87 5.03 0.00 3.00 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.06 4.25 0.00 1.13 1.15 0.61 0.73 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 70 P 0.00 4.21 0.00 2.44 2.31 0.00 3.19 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 71 L 8.38 4.11 0.00 1.71 1.70 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.90 4.91 0.00 2.87 3.06 0.00 0.00 6.54 7.66 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 73 E 7.85 5.55 0.00 1.65 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 2.13 1.99 0.00 74 N 8.46 4.79 0.00 2.86 2.76 0.00 0.00 5.76 7.00 0.00 0.00 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 G 7.90 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 76 W 8.40 5.60 0.00 3.33 2.99 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 77 H 10.12 4.78 0.00 3.17 3.83 0.00 5.75 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 78 A 8.27 4.17 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 79 G 8.45 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.48 4.82 0.00 2.77 2.86 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 81 G 8.73 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 9.26 4.98 0.00 2.66 2.75 0.00 0.00 6.77 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 83 G 8.04 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 84 S 8.31 4.03 0.00 3.37 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 85 G 5.89 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 0.00 0.00 0.00 0.00 0.00 0.00 86 N 7.71 4.46 0.00 2.89 3.10 0.00 0.00 7.03 8.50 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 87 R 7.71 4.36 0.00 1.83 1.90 0.00 3.21 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 88 A 8.55 5.03 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 89 S 8.19 5.23 0.00 4.12 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 90 I 8.62 4.29 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.68 1.02 0.00 0.00 91 G 9.09 4.33 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 0.00 92 I 8.94 5.48 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.10 1.08 0.00 0.00 93 E 9.71 4.88 0.00 1.67 1.63 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 1.47 1.47 0.00 94 I 7.94 4.94 2.19 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 1.30 0.92 0.91 0.00 0.00 95 C 9.11 4.67 0.00 2.96 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 96 E 8.52 4.81 0.00 1.95 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 2.10 2.27 0.00 97 N 8.49 4.67 0.00 3.11 3.12 0.00 0.00 5.98 7.85 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 98 A 8.43 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.12 4.71 0.00 2.82 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 0.00 100 G 8.19 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 0.00 101 D 9.91 4.78 0.00 2.60 2.60 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 0.00 0.00 0.00 0.00 102 F 8.79 4.17 0.00 3.18 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 0.00 103 A 8.25 3.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.15 3.85 0.00 2.04 1.95 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.26 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.48 7.81 105 A 7.93 4.21 1.32 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 0.00 0.00 106 T 8.01 3.68 4.27 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 1.43 0.00 0.00 107 A 7.84 4.63 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 0.00 108 N 8.41 4.37 0.00 2.96 2.97 0.00 0.00 6.98 7.66 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 0.00 109 A 8.35 4.15 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 0.00 110 Q 8.35 3.81 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 1.74 2.50 0.00 111 W 8.46 4.04 0.00 3.42 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.01 3.16 0.00 1.86 1.82 0.18 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.86 3.61 1.92 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 1.48 0.69 0.88 0.00 0.00 114 K 7.89 3.81 0.00 1.83 1.77 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.37 7.81 115 T 7.51 3.58 3.65 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 0.90 0.00 0.00 116 L 7.95 4.03 0.00 1.89 1.73 0.86 1.28 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 0.00 117 M 8.20 4.08 0.00 2.10 2.19 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 2.75 2.68 0.00 118 A 7.66 3.93 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 0.00 119 E 8.11 3.90 0.00 2.07 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 2.29 2.22 0.00 120 H 8.54 4.60 0.00 3.20 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.58 4.09 0.00 2.83 2.79 0.00 0.00 6.88 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 0.00 122 I 8.06 4.39 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.96 0.00 0.00 123 S 8.36 4.32 0.00 3.97 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 0.00 124 L 8.36 3.91 0.00 1.69 1.66 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.39 4.04 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 0.00 126 N 8.07 4.71 0.00 2.83 2.78 0.00 0.00 6.47 7.96 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 0.00 127 V 7.50 4.76 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 0.92 0.00 0.00 1.01 0.00 0.00 128 V 9.07 4.79 1.62 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 0.25 0.00 0.00 0.90 0.00 0.00 129 P 0.00 4.73 0.00 1.66 0.49 0.00 3.33 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.01 0.00 130 H 8.55 4.22 0.00 3.26 3.49 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.83 3.77 0.00 1.86 1.60 0.00 1.77 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.27 7.81 132 Y 7.33 3.87 0.00 2.54 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 0.00 133 W 7.87 4.51 0.00 3.58 3.15 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 0.00 134 S 8.07 4.51 0.00 3.98 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.80 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 0.00 136 K 7.66 4.02 0.00 1.72 1.43 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.36 7.81 137 E 8.31 4.47 0.00 1.95 1.86 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 2.26 2.20 0.00 138 C 7.58 4.71 0.00 2.89 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 0.00 139 P 0.00 4.62 0.00 2.33 2.22 0.00 3.47 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 140 R 8.95 3.85 0.00 1.96 2.36 0.00 2.90 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 141 K 7.93 4.14 0.00 1.51 1.63 0.00 1.37 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.20 7.81 142 L 7.57 4.76 0.00 1.92 1.84 1.19 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.09 4.03 0.00 1.61 1.72 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.44 4.48 0.00 2.65 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 0.00 145 K 7.69 4.75 0.00 2.03 1.98 0.00 1.37 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 146 W 8.14 4.38 0.00 3.45 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 0.00 147 D 8.19 4.28 0.00 2.80 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 0.00 148 S 8.09 4.08 0.00 4.04 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 0.00 149 F 7.70 4.00 0.00 2.93 2.89 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 0.00 150 K 7.64 3.50 0.00 1.48 1.56 0.00 1.75 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.98 0.44 7.81 151 A 8.14 4.06 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 0.00 152 G 7.30 3.77 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 0.00 0.00 0.00 153 I 7.23 3.60 1.75 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.21 0.75 0.00 0.00 154 G 7.89 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 0.00 0.00 0.00 0.00