NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4076 8.3044 120.3309 55.1855 33.3413 174.2486 4 V 3.8333 8.3218 123.9708 60.6413 32.3662 173.2291 5 N 4.8144 9.5350 127.8248 53.4740 39.9548 174.1348 6 M 4.2508 9.0357 126.0050 56.5529 32.5294 176.7760 7 V 3.8918 7.7271 119.9159 62.0848 32.3341 175.5943 8 S 4.1502 8.9766 124.1494 59.2749 64.0628 173.8676 9 N 4.0652 8.5649 121.5501 54.2268 36.9911 173.0203 10 P 4.4812 0.0000 0.0000 64.3322 32.2715 178.3723 11 G 4.1040 7.7586 107.3008 45.3757 0.0000 173.1124 12 F 4.0075 7.1984 115.5117 58.1340 37.1282 176.8742 13 E 4.1903 7.9087 120.4094 58.6490 29.4178 177.3690 14 D 4.9748 8.7195 119.8828 53.9941 42.4661 177.8112 15 G 4.0266 7.8590 111.8071 47.4452 0.0000 175.3163 16 L 4.8092 8.4562 124.8565 54.1365 41.8823 175.5792 17 D 4.6107 7.5583 119.5650 56.2013 41.0181 177.5096 18 S 3.9833 8.8327 117.8031 58.2261 61.1201 169.4535 19 W 4.9485 7.7425 120.5006 54.8460 30.6744 176.3478 20 Q 4.1840 9.2843 124.3762 56.0884 28.5154 174.8662 21 D 4.6495 8.5081 121.5977 52.1741 41.8397 175.6641 22 W 4.7194 8.8308 124.1860 58.1675 29.7889 177.0015 23 Q 4.6212 7.7390 116.8385 54.6856 29.7804 175.3548 24 Q 4.1075 7.8038 112.9458 56.0681 26.6046 173.3590 25 D 5.0296 7.6480 115.3724 54.4237 42.2019 175.0762 26 M 5.2057 8.0239 115.0060 53.1270 35.4724 175.1188 27 S 4.5809 8.6540 115.5548 57.0569 67.2162 173.3292 28 A 4.7516 8.5213 123.9831 50.9762 18.8641 176.5997 29 V 4.4380 8.0293 114.0171 59.6109 35.1436 175.9402 30 P 4.5393 0.0000 0.0000 64.6010 31.5347 178.7456 31 E 3.7842 8.0247 115.2336 58.4045 29.9231 177.3067 32 A 3.5317 7.5673 120.7704 51.2548 19.3088 176.1717 33 A 4.3871 7.4198 120.5482 52.4326 18.9816 177.2870 34 H 3.5767 8.9117 122.9786 56.6503 30.7140 174.6531 35 N 4.7082 7.2252 113.4882 51.8116 42.8175 175.8759 36 G 3.7527 8.2410 107.4231 45.8325 0.0000 173.0198 37 A 4.3070 8.9590 120.3043 53.2486 19.5857 177.3631 38 L 4.8118 7.9567 114.1057 53.1108 46.0330 176.0068 39 G 4.6201 8.1455 106.6080 43.5824 0.0000 170.5051 40 L 4.1727 8.2677 122.1610 53.2555 43.4612 174.9669 41 K 4.8136 8.6253 128.4392 54.9094 34.2206 174.6944 42 I 4.5564 8.3654 129.5871 59.4252 38.7932 175.5506 43 G 3.9224 8.1133 115.7531 45.2875 0.0000 173.6759 44 G 4.0162 7.9478 111.3358 46.1398 0.0000 172.7781 45 G 4.1521 8.2365 109.9525 45.4964 0.0000 174.2858 46 K 4.6593 7.4863 116.1200 55.2435 35.3734 175.6565 47 A 4.1662 8.6193 123.3856 52.3166 19.0542 176.7122 48 A 4.4779 7.2983 121.0584 51.6334 23.4825 176.0106 49 G 4.2815 9.1337 105.8065 48.1881 0.0000 171.2115 50 G 3.3642 6.8833 107.2606 48.1799 0.0000 172.0143 51 G 4.3078 6.8819 105.6873 46.2803 0.0000 171.3306 52 Q 4.8227 7.9075 115.6660 54.7008 32.3473 173.7120 53 D 4.9394 8.6057 120.9902 54.3483 41.8540 176.3259 54 I 4.3774 8.5408 124.0672 58.3211 39.3795 173.1552 55 P 3.9791 0.0000 0.0000 62.8648 31.6949 176.1554 56 L 4.7715 7.5234 121.2859 52.3811 45.0301 176.2611 57 K 4.4610 8.7908 120.3416 55.4713 32.7128 175.8343 58 P 4.4388 0.0000 0.0000 62.8332 32.1076 174.9683 59 N 4.3569 8.5078 112.6611 53.5316 36.9698 174.2302 60 T 4.6251 8.1258 112.3080 62.0691 73.2711 173.8768 61 T 4.6909 8.0716 121.8005 62.6553 70.3096 173.4474 62 Y 5.0136 8.5025 123.3942 56.0993 42.4905 174.3411 63 I 4.9477 8.8177 122.2160 59.6036 40.2327 174.4829 64 L 5.4804 9.1317 128.1848 53.4131 44.7351 175.4064 65 G 4.7788 9.8673 112.1727 44.6381 0.0000 170.9899 66 A 5.4714 8.0736 120.4130 51.6613 23.4804 175.2968 67 W 5.5171 9.1111 119.7086 55.7342 31.3169 175.5955 68 A 5.2231 9.3126 124.5079 51.0112 22.6924 175.1772 69 K 4.6799 7.9311 117.4632 55.8450 36.3848 175.4241 70 F 4.4594 8.8981 122.2746 57.1231 40.3873 175.7449 71 D 4.7754 8.2363 119.1921 53.8340 39.9821 176.1640 72 S 4.4481 7.5611 112.2677 56.5935 65.6947 173.6233 73 K 3.7409 8.4063 122.5621 55.9620 31.8912 174.8410 74 P 4.1300 0.0000 0.0000 62.1388 32.2902 176.1563 75 A 4.1773 8.5861 121.7563 54.1308 19.8159 177.8254 76 G 4.1588 8.5665 107.7089 45.3413 0.0000 172.0868 77 T 5.0602 8.3102 111.4571 59.9131 73.2264 172.7454 78 F 5.4150 9.8755 124.1097 56.5776 42.0413 173.5572 79 D 5.8500 9.0701 125.8568 51.5443 44.0667 175.1921 80 V 4.7953 8.1924 122.1014 59.9497 34.1622 174.7251 81 V 4.9006 8.7624 123.9977 61.0976 35.4136 173.7780 82 V 4.9175 8.4380 127.6110 61.3270 33.2921 174.4566 83 Q 4.6795 9.0225 125.8546 54.7459 32.1958 173.5691 84 Y 5.1732 7.2989 117.1959 56.9428 42.0662 172.6453 85 H 5.3953 9.1903 117.3684 54.8863 30.7166 175.4998 86 L 4.4930 9.4047 122.0992 54.2252 42.9501 177.1284 87 K 4.7321 8.2112 123.6265 55.2610 30.7123 173.6554 88 D 5.0125 7.3710 121.1376 50.6524 43.2210 177.1483 89 A 3.9428 8.7164 121.1662 55.4412 18.1232 178.3293 90 N 4.5136 8.1646 109.6921 53.2420 39.6720 174.5664 91 N 4.5867 8.0804 115.2312 52.5855 36.7884 174.7166 92 T 3.9686 8.2289 114.6439 64.7769 70.3003 174.2573 93 Y 5.0712 8.6025 126.7648 56.4040 40.2735 174.8944 94 V 4.2729 8.0952 119.5473 59.4574 35.4888 174.6879 95 Q 4.3532 7.9303 121.3944 54.3510 32.5969 174.1581 96 H 4.7198 8.8335 121.7493 54.3097 30.5596 173.6520 97 I 4.9385 8.2588 124.2591 59.3430 39.8302 175.0875 98 L 4.5492 9.0190 127.4496 53.2478 43.6705 175.1143 99 N 5.5961 8.4788 120.6357 51.5175 40.9915 174.0534 100 F 5.2295 9.6364 122.4102 55.6918 42.3800 175.2649 101 N 5.3059 9.1038 117.6997 52.5349 39.1934 174.5510 102 E 4.3345 8.6136 119.7083 57.0320 30.3329 176.8553 103 T 4.7869 8.3035 109.7471 61.0021 69.6889 173.6827 104 D 5.0855 7.9305 121.3224 51.9174 44.1365 175.6351 105 W 4.6741 8.9913 120.7683 58.3054 29.9333 175.6436 106 T 4.9130 9.4881 121.7278 61.9177 71.7080 172.5152 107 Y 4.5461 8.1447 127.3205 56.1663 40.5237 174.2382 108 K 4.6806 7.9948 124.6144 54.8260 36.7873 174.9726 109 Q 5.0552 8.2041 122.2882 54.8026 32.2984 173.1146 110 L 5.1422 9.3607 125.3138 53.8731 44.6244 174.7661 111 L 5.5145 8.4950 118.6144 54.1947 43.4055 175.5827 112 F 5.0713 8.8197 114.5339 56.0648 41.8389 172.8793 113 T 5.2039 8.5170 116.5538 61.8445 70.2227 174.4577 114 T 4.5118 8.9506 117.1680 60.9993 70.7129 172.6040 115 P 4.6321 0.0000 0.0000 62.0354 32.9814 176.5920 116 D 4.4704 8.5034 117.7225 55.2010 39.5964 176.5084 117 V 4.3110 7.0352 117.3294 61.3078 34.5414 173.0466 118 F 4.8599 8.5498 123.8441 56.0221 40.5294 176.3804 119 G 3.9979 9.1834 113.6373 46.8594 0.0000 173.7193 120 S 4.6513 7.7087 111.9412 57.1172 65.4588 174.3054 121 T 3.7865 8.4009 118.8176 62.9873 68.6368 172.7512 122 P 4.7735 0.0000 0.0000 63.3996 32.8099 174.9930 123 Q 4.9008 9.1885 123.1176 54.3424 33.0492 173.3811 124 L 5.1774 9.1507 128.3938 53.7472 43.9615 174.6176 125 A 5.5091 9.3957 128.9865 50.3709 21.8994 175.2214 126 L 4.9821 9.6429 123.5873 53.1031 43.4718 175.7355 127 W 5.1339 9.4066 135.0000 55.6208 33.3426 174.1402 128 K 4.3471 8.4880 131.3768 55.0516 30.0581 176.9830 129 G 3.5704 8.0017 112.1454 48.1166 0.0000 170.7924 130 D 4.5944 7.6855 119.7450 55.3176 41.4462 176.7377 131 T 4.6399 8.4697 113.5467 61.4729 70.1593 173.9905 132 S 4.5220 7.9418 117.3481 57.6072 64.8855 174.8074 133 K 4.2235 8.5696 116.4628 56.9188 32.0019 176.7900 134 A 4.4227 7.6495 122.2122 52.1299 18.9171 177.3837 135 N 4.6103 9.5954 120.8925 52.7470 40.4629 173.8793 136 L 4.0126 8.3192 124.3216 53.1732 44.5919 174.4745 137 Y 5.3460 7.9368 124.4208 56.3418 40.4191 175.1762 138 V 5.1321 8.5027 122.4451 60.5130 35.4063 173.5556 139 D 4.9831 9.5344 121.1946 53.4321 44.8575 173.8124 140 D 4.5180 8.5177 119.9701 55.4316 38.0390 173.5860 141 V 4.4423 7.9080 118.2383 62.8792 33.1394 175.7541 142 Y 5.1404 9.8246 125.1727 56.2526 42.0068 174.5468 143 L 5.3725 8.9694 124.4580 53.8447 45.3382 175.0367 144 V 5.0732 8.9437 119.6230 59.2703 35.9984 174.8988 145 E 4.0708 9.1401 126.0823 56.2098 30.2458 176.8377 146 V 4.0437 7.9146 119.5526 61.4290 31.6370 175.6236 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 3 M 8.30 4.41 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 4 V 8.32 3.83 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 0.77 0.00 0.00 0.96 0.00 0.00 5 N 9.54 4.81 0.00 2.89 2.78 0.00 0.00 7.26 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 6 M 9.04 4.25 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 7 V 7.73 3.89 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 0.76 0.00 0.00 1.01 0.00 0.00 8 S 8.98 4.15 0.00 3.62 3.57 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 9 N 8.56 4.07 0.00 2.86 2.79 0.00 0.00 6.96 7.71 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 10 P 0.00 4.48 0.00 2.20 2.22 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 11 G 7.76 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 0.00 0.00 0.00 12 F 7.20 4.01 0.00 3.09 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 13 E 7.91 4.19 0.00 1.99 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 2.44 2.41 0.00 14 D 8.72 4.97 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.86 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.46 4.81 0.00 1.80 1.81 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.56 4.61 0.00 2.76 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 18 S 8.83 3.98 0.00 3.67 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 7.74 4.95 0.00 3.38 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 20 Q 9.28 4.18 0.00 1.82 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 21 D 8.51 4.65 0.00 2.76 2.54 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 22 W 8.83 4.72 0.00 3.61 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 23 Q 7.74 4.62 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.20 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 24 Q 7.80 4.11 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.42 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 25 D 7.65 5.03 0.00 2.95 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 M 8.02 5.21 0.00 1.77 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 27 S 8.65 4.58 0.00 3.82 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 28 A 8.52 4.75 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 29 V 8.03 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 0.64 0.00 0.00 0.80 0.00 0.00 30 P 0.00 4.54 0.00 2.11 2.04 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 31 E 8.02 3.78 0.00 1.73 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 2.18 2.15 0.00 32 A 7.57 3.53 1.04 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 33 A 7.42 4.39 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 34 H 8.91 3.58 0.00 1.40 2.55 0.00 5.90 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.23 4.71 0.00 2.74 2.49 0.00 0.00 6.86 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 8.24 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 0.00 0.00 0.00 37 A 8.96 4.31 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 38 L 7.96 4.81 0.00 1.55 1.51 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.15 4.62 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 0.00 0.00 0.00 40 L 8.27 4.17 0.00 0.27 0.48 0.48 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.63 4.81 0.00 1.78 1.67 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.49 7.81 42 I 8.37 4.56 1.57 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.19 0.85 0.00 0.00 43 G 8.11 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.95 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 0.00 0.00 0.00 45 G 8.24 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 46 K 7.49 4.66 0.00 1.74 1.75 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.44 7.81 47 A 8.62 4.17 1.28 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 0.00 0.00 48 A 7.30 4.48 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 49 G 9.13 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 0.00 0.00 0.00 50 G 6.88 3.36 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 0.00 51 G 6.88 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.91 4.82 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.96 0.00 0.00 0.00 0.00 0.00 1.61 2.04 0.00 53 D 8.61 4.94 0.00 2.58 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 54 I 8.54 4.38 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.82 0.00 0.00 55 P 0.00 3.98 0.00 1.96 1.91 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 56 L 7.52 4.77 0.00 1.24 1.44 0.85 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.79 4.46 0.00 1.95 1.86 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.50 7.81 58 P 0.00 4.44 0.00 2.15 1.88 0.00 4.04 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 59 N 8.51 4.36 0.00 2.90 2.86 0.00 0.00 6.68 6.66 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 60 T 8.13 4.63 4.49 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 0.69 0.00 0.00 61 T 8.07 4.69 4.07 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 1.09 0.00 0.00 62 Y 8.50 5.01 0.00 1.43 2.50 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 63 I 8.82 4.95 2.05 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 1.14 0.89 1.02 0.00 0.00 64 L 9.13 5.48 0.00 2.09 1.72 1.10 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 65 G 9.87 4.78 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 66 A 8.07 5.47 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.11 5.52 0.00 3.63 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 68 A 9.31 5.22 0.45 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 69 K 7.93 4.68 0.00 1.48 1.55 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.58 7.81 70 F 8.90 4.46 0.00 2.83 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.24 4.78 0.00 2.59 2.24 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 72 S 7.56 4.45 0.00 3.89 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 73 K 8.41 3.74 0.00 1.67 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.36 7.81 74 P 0.00 4.13 0.00 1.72 0.49 0.00 3.55 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 0.00 75 A 8.59 4.18 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 76 G 8.57 4.16 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 0.00 0.00 0.00 77 T 8.31 5.06 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 1.26 0.00 0.00 78 F 9.88 5.41 0.00 2.88 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 79 D 9.07 5.85 0.00 2.66 2.52 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 0.00 0.00 0.00 80 V 8.19 4.80 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 0.97 0.00 0.00 1.06 0.00 0.00 81 V 8.76 4.90 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 0.78 0.00 0.00 0.95 0.00 0.00 82 V 8.44 4.92 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 0.95 0.00 0.00 1.00 0.00 0.00 83 Q 9.02 4.68 0.00 1.41 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.39 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 84 Y 7.30 5.17 0.00 3.29 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 85 H 9.19 5.40 0.00 3.28 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.40 4.49 0.00 1.64 1.65 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.21 4.73 0.00 1.87 1.76 0.00 1.64 0.00 0.00 2.01 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.49 7.81 88 D 7.37 5.01 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.72 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.16 4.51 0.00 2.74 2.88 0.00 0.00 7.14 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 91 N 8.08 4.59 0.00 2.78 2.82 0.00 0.00 6.95 8.26 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 92 T 8.23 3.97 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 1.23 0.00 0.00 93 Y 8.60 5.07 0.00 2.74 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 94 V 8.10 4.27 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 0.70 0.00 0.00 0.19 0.00 0.00 95 Q 7.93 4.35 0.00 1.59 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 96 H 8.83 4.72 0.00 2.62 3.04 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.26 4.94 1.82 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 1.27 0.50 0.93 0.00 0.00 98 L 9.02 4.55 0.00 1.61 1.34 1.07 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.48 5.60 0.00 2.51 2.72 0.00 0.00 6.86 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 0.00 100 F 9.64 5.23 0.00 3.21 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 0.00 101 N 9.10 5.31 0.00 2.63 2.88 0.00 0.00 7.03 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 0.00 102 E 8.61 4.33 0.00 2.28 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 2.49 2.43 0.00 103 T 8.30 4.79 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 1.20 0.00 0.00 104 D 7.93 5.09 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 W 8.99 4.67 0.00 3.36 3.40 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 0.00 106 T 9.49 4.91 4.62 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 1.32 0.00 0.00 107 Y 8.14 4.55 0.00 1.43 2.17 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 0.00 108 K 7.99 4.68 0.00 1.22 1.25 0.00 0.64 0.00 0.00 1.15 0.00 0.00 2.56 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.07 0.95 7.81 109 Q 8.20 5.06 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 110 L 9.36 5.14 0.00 1.77 1.73 1.18 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.50 5.51 0.00 1.69 1.66 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.82 5.07 0.00 2.91 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 0.00 113 T 8.52 5.20 4.30 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 1.22 0.00 0.00 114 T 8.95 4.51 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 1.72 0.00 0.00 115 P 0.00 4.63 0.00 2.02 2.27 0.00 3.19 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 1.56 1.97 0.00 116 D 8.50 4.47 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.04 4.31 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 0.81 0.00 0.00 0.89 0.00 0.00 118 F 8.55 4.86 0.00 3.09 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 0.00 119 G 9.18 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 0.00 120 S 7.71 4.65 0.00 4.05 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 0.00 121 T 8.40 3.79 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 1.13 0.00 0.00 122 P 0.00 4.77 0.00 2.14 2.00 0.00 3.11 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.45 0.00 123 Q 9.19 4.90 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 124 L 9.15 5.18 0.00 1.87 1.77 1.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 A 9.40 5.51 1.57 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 0.00 0.00 126 L 9.64 4.98 0.00 1.67 1.96 0.57 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 127 W 9.41 5.13 0.00 3.53 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 0.00 128 K 8.49 4.35 0.00 1.84 1.63 0.00 1.65 0.00 0.00 1.43 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.35 7.81 129 G 8.00 3.57 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 0.00 0.00 0.00 130 D 7.69 4.59 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.47 4.64 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 1.30 0.00 0.00 132 S 7.94 4.52 0.00 3.92 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 0.00 133 K 8.57 4.22 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.41 7.81 134 A 7.65 4.42 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 0.00 135 N 9.60 4.61 0.00 2.69 2.58 0.00 0.00 6.10 6.78 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 0.00 136 L 8.32 4.01 0.00 0.82 0.89 -0.61 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.94 5.35 0.00 2.30 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 0.00 138 V 8.50 5.13 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 0.45 0.00 0.00 1.12 0.00 0.00 139 D 9.53 4.98 0.00 2.88 2.40 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 0.00 140 D 8.52 4.52 0.00 3.23 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 0.00 141 V 7.91 4.44 2.30 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 0.99 0.00 0.00 1.12 0.00 0.00 142 Y 9.82 5.14 0.00 3.04 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 0.00 143 L 8.97 5.37 0.00 1.86 1.59 1.13 0.99 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 0.00 144 V 8.94 5.07 2.17 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 0.83 0.00 0.00 0.98 0.00 0.00 145 E 9.14 4.07 0.00 1.95 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 2.09 1.82 0.00 146 V 7.91 4.04 2.02 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 0.67 0.00 0.00 0.86 0.00 0.00