NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1317 8.3149 120.1124 55.1761 33.6929 176.0573 5 P 3.7203 0.0000 0.0000 61.9036 32.9041 176.2580 6 I 3.5749 7.5336 121.0008 64.2309 37.4739 178.5276 7 W 4.0672 7.5762 117.0680 59.2350 27.9783 177.8541 8 E 3.9054 7.2747 119.8628 58.8404 29.1796 178.4115 9 Q 3.8714 7.7457 118.1724 58.9238 28.7320 178.8822 10 I 3.6917 7.2266 122.3423 63.6264 37.0821 178.7110 11 G 3.4280 7.7402 106.5763 47.7104 0.0000 175.6324 12 S 4.3563 8.0974 117.2308 60.6493 61.9267 176.4727 13 S 4.1199 8.0174 117.0148 61.1749 62.6686 176.2135 14 F 3.7871 8.3420 124.3266 61.0170 39.1675 176.9100 15 I 3.4950 7.9232 119.4481 64.5244 37.0558 177.6696 16 N 4.3961 8.3344 117.6089 57.1804 38.7072 176.2821 17 H 4.0769 8.3203 119.4635 59.2567 29.8504 176.3605 18 Y 3.6701 7.9752 121.7035 61.1069 38.4874 178.0455 19 Y 4.0949 7.9603 117.1936 60.7739 37.9109 178.4151 20 Q 4.0066 8.0013 119.3349 58.7127 28.8427 178.3506 21 L 3.7986 7.8388 121.4061 58.1122 41.9150 178.7692 22 F 3.7611 7.9374 119.4901 61.2799 39.3967 176.3456 23 D 4.8705 8.4590 116.8273 55.8170 40.9408 176.7737 24 N 4.9761 7.7857 114.0376 53.0991 41.2791 174.3202 25 D 4.6038 8.1278 113.4878 52.2408 43.6928 176.0995 26 R 3.7791 7.6125 120.6179 58.4978 29.5735 178.5565 27 T 3.9380 7.8439 109.0783 63.6478 69.0235 175.1377 28 Q 4.3726 7.7563 120.2884 56.0805 29.1129 177.2293 29 L 4.0290 7.8068 122.1437 57.5400 41.6049 179.3850 30 G 3.8889 8.2343 105.1303 47.6436 0.0000 175.2368 31 A 4.1768 7.7222 122.3802 54.2346 18.5454 178.0203 32 I 4.2053 7.7319 109.6983 61.0471 38.2440 174.8230 33 Y 5.3175 7.8176 118.7521 56.4525 40.6242 174.0583 34 I 4.8198 8.7189 114.2409 58.7304 41.0865 176.1402 35 D 4.3056 8.7963 119.1648 57.4386 40.5549 178.3827 36 A 4.4224 7.8838 118.5101 52.5614 19.3710 177.4357 37 S 4.6699 8.1374 113.4619 59.0486 64.2617 173.3497 38 C 5.3956 9.3193 120.1162 57.9560 32.1965 172.8574 39 L 5.4465 9.3007 123.6804 53.7086 45.7202 175.2291 40 T 5.1850 9.1735 121.2331 61.7010 72.0532 172.7126 41 W 4.8908 9.9038 135.0000 55.5952 32.6097 175.3009 42 E 3.3858 10.0368 129.4299 57.3017 26.9788 176.3884 43 G 3.9774 8.7384 107.3406 45.0643 0.0000 173.7912 44 Q 4.4797 8.0008 121.4454 54.6028 30.4462 173.9377 45 Q 4.8633 8.1213 123.5569 54.9156 30.6409 175.6259 46 F 4.5495 9.4952 121.6143 55.9181 42.0522 173.1528 47 Q 4.6235 8.6767 122.7443 55.5852 30.1835 176.7081 48 G 4.3939 9.0960 110.8233 45.6427 0.0000 174.1688 49 K 3.7584 8.8766 122.5362 59.3576 32.1894 178.8806 50 A 3.9486 8.0658 120.1285 55.3685 18.2660 179.3803 51 A 4.0223 7.9443 118.6142 55.1015 18.4623 179.7788 52 I 3.4279 7.6245 118.2296 64.4681 37.1949 178.6826 53 V 3.4282 8.0417 119.3328 66.0873 31.0961 177.6910 54 E 3.8258 7.8951 117.7204 58.9470 29.7606 178.3842 55 K 3.6724 7.8724 119.8550 59.1954 32.1333 178.8767 56 L 3.4804 7.6662 119.4374 57.7558 41.2745 179.7205 57 S 3.9819 7.7082 114.1321 60.9823 62.7684 176.1479 58 S 4.2937 7.2422 114.6511 58.0620 63.2651 174.4709 59 L 3.7226 6.8520 123.5035 54.6796 41.6024 176.4110 60 P 4.2210 0.0000 0.0000 64.3618 31.6539 176.6938 61 F 4.7770 7.0003 114.9906 56.7693 38.7698 175.4310 62 Q 4.3143 9.6833 122.2896 57.4267 29.5657 176.3924 63 K 4.9041 8.9202 118.2054 54.7236 35.7482 175.1555 64 I 4.9459 8.2639 125.0312 59.5275 41.6263 173.6395 65 Q 4.7192 8.7777 127.3302 54.8136 32.3319 173.2763 66 H 5.5167 9.7581 123.8760 54.0038 31.7391 174.1514 67 S 4.6001 9.0336 116.1075 56.5730 65.7817 173.1470 68 I 4.3969 8.5305 126.6139 61.3203 37.1775 175.9224 69 T 4.5081 9.0173 116.6606 62.4681 71.1835 174.0477 70 A 4.8764 7.6594 121.6416 51.1556 22.7657 175.0379 71 Q 5.6013 8.2143 116.0395 55.9856 32.1446 173.0023 72 D 5.0583 8.4225 119.1438 53.2498 45.5992 174.0068 73 H 5.5609 8.7817 117.0774 54.6426 33.0916 172.6991 74 Q 4.4857 8.9138 119.0317 53.7908 33.4553 172.4489 75 P 4.9494 0.0000 0.0000 62.3356 33.0997 174.9298 76 T 4.5790 8.3619 111.0547 59.1263 71.5900 173.4711 77 P 4.2477 0.0000 0.0000 65.4826 31.4368 177.1173 78 D 4.7197 8.0188 116.1036 54.1786 40.6851 176.3692 79 S 3.9089 7.9615 113.1653 59.9136 60.6887 170.9088 80 C 4.9686 7.9404 118.7602 58.8295 30.9106 172.4453 81 I 4.9403 8.7327 119.8627 59.7227 40.3073 174.7165 82 I 4.8458 8.7167 127.4423 59.4444 40.0917 174.4075 83 S 5.3903 9.4304 125.0630 56.7120 66.9010 172.5490 84 E 5.1364 9.2495 123.4954 54.4575 32.7941 174.5598 85 V 4.8854 8.9571 126.2442 61.0842 35.1867 174.1732 86 V 4.2749 8.2854 127.1191 61.2926 34.7952 174.9935 87 G 3.7483 6.7311 111.1247 46.2197 0.0000 171.8810 88 Q 5.5341 8.5654 118.5063 54.3131 33.7201 174.4858 89 L 5.1207 9.1429 120.2124 54.3083 44.5949 174.7815 90 K 4.8888 8.9449 121.5138 54.6149 35.6453 174.4110 91 A 4.9831 8.5373 128.5085 51.0166 21.7268 176.4487 92 D 4.4588 9.1132 123.3550 55.8908 41.2566 174.9235 93 E 4.5218 9.0748 126.2160 56.9387 30.1391 175.5986 94 D 4.5956 8.2634 120.0909 53.2099 41.4520 174.5094 95 P 4.5182 0.0000 0.0000 62.2494 32.1585 176.1699 96 I 4.0517 8.1259 120.1154 62.2933 37.6552 175.5051 97 M 4.8803 9.0393 124.6494 53.5167 36.4573 175.0921 98 G 4.3595 8.6586 108.9551 46.0399 0.0000 172.3262 99 F 5.4149 8.5506 115.3796 55.6052 42.1317 172.5807 100 H 5.0873 9.3129 119.0749 54.6237 33.5229 171.8392 101 Q 5.2849 9.1238 124.9010 54.8137 32.9745 173.0679 102 M 5.2497 8.8593 123.0747 53.5520 34.6676 174.5313 103 F 5.3188 9.1302 118.7438 55.7310 43.8143 173.2686 104 L 5.1377 9.1537 125.0884 53.3232 44.3718 174.9498 105 L 5.3306 9.2343 126.1539 53.0296 45.0237 175.4277 106 K 4.9540 8.9800 122.4234 54.9125 36.2865 174.4281 107 N 4.2281 7.8142 125.4312 52.5464 39.4666 174.2331 108 I 4.4335 8.2728 127.1466 60.7794 40.6138 175.2796 109 N 3.9198 9.6119 119.6882 53.9349 36.3149 173.4787 110 D 4.1951 8.1781 112.5561 54.8862 39.5328 173.0135 111 A 4.7482 7.5902 118.0204 49.9037 23.3794 176.5232 112 W 4.6985 8.9223 121.2393 56.5687 30.0434 176.2299 113 V 4.9002 8.9513 117.3459 59.7129 35.8255 173.9213 114 C 5.0162 9.4084 123.6784 58.5928 31.8288 173.4158 115 T 4.5414 8.9702 116.8530 63.1596 70.5963 174.5853 116 N 5.5419 8.1202 118.9144 51.5143 43.1798 173.0165 117 D 5.1436 9.4453 122.8012 52.7832 44.9082 173.9313 118 M 5.1593 8.9516 125.1325 53.7468 35.3122 174.0732 119 F 5.2328 9.2337 127.0284 56.5148 42.3465 174.5333 120 R 4.4139 7.4038 122.6161 54.4957 34.7645 174.6222 121 L 4.5060 8.0650 122.0678 54.4655 42.8749 176.1064 122 A 4.7587 9.2405 123.9752 50.4628 21.0455 176.4872 123 L 4.1816 8.8799 121.5060 55.9982 42.5930 176.7009 124 H 4.4945 7.7649 114.5803 53.7024 30.5541 174.0590 125 N 4.4365 8.1652 121.1285 52.6954 38.5380 175.0735 126 F 4.5467 8.4706 123.6747 57.6407 39.2489 176.0633 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 4 K 8.31 4.13 0.00 1.64 1.62 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.40 7.81 5 P 0.00 3.72 0.00 0.49 0.49 0.00 3.37 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 6 I 7.53 3.57 1.87 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 1.61 0.86 0.94 0.00 0.00 7 W 7.58 4.07 0.00 3.48 3.45 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 8 E 7.27 3.91 0.00 1.70 1.81 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 2.35 2.48 0.00 9 Q 7.75 3.87 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 10 I 7.23 3.69 1.37 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 -0.29 0.00 0.00 11 G 7.74 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.36 0.00 3.88 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 13 S 8.02 4.12 0.00 4.08 4.08 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 14 F 8.34 3.79 0.00 3.22 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 15 I 7.92 3.50 2.21 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.86 1.24 0.00 0.00 16 N 8.33 4.40 0.00 2.85 3.10 0.00 0.00 6.95 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.32 4.08 0.00 3.23 3.15 0.00 5.85 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 18 Y 7.98 3.67 0.00 2.67 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 19 Y 7.96 4.09 0.00 3.26 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.00 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 21 L 7.84 3.80 0.00 1.75 1.43 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.94 3.76 0.00 2.73 2.87 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 23 D 8.46 4.87 0.00 2.84 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 24 N 7.79 4.98 0.00 2.82 2.81 0.00 0.00 6.75 7.78 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 25 D 8.13 4.60 0.00 2.55 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 26 R 7.61 3.78 0.00 1.55 1.81 0.00 2.67 0.00 0.00 2.89 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 27 T 7.84 3.94 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 1.11 0.00 0.00 28 Q 7.76 4.37 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 29 L 7.81 4.03 0.00 1.72 1.80 0.37 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.23 3.89 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 0.00 0.00 0.00 31 A 7.72 4.18 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 32 I 7.73 4.21 2.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.78 0.00 0.00 33 Y 7.82 5.32 0.00 3.15 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 34 I 8.72 4.82 1.93 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 1.42 0.98 0.98 0.00 0.00 35 D 8.80 4.31 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 36 A 7.88 4.42 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 37 S 8.14 4.67 0.00 4.01 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 0.00 38 C 9.32 5.40 0.00 2.88 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 39 L 9.30 5.45 0.00 1.75 1.70 1.41 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.17 5.18 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 1.30 0.00 0.00 41 W 9.90 4.89 0.00 3.61 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 10.04 3.39 0.00 2.26 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 2.13 1.90 0.00 43 G 8.74 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 44 Q 8.00 4.48 0.00 2.31 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.80 0.00 0.00 0.00 0.00 0.00 2.39 1.79 0.00 45 Q 8.12 4.86 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 46 F 9.50 4.55 0.00 2.99 2.97 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 47 Q 8.68 4.62 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.39 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 48 G 9.10 4.39 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 0.00 49 K 8.88 3.76 0.00 2.02 1.85 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.54 1.58 7.81 50 A 8.07 3.95 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 51 A 7.94 4.02 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 0.00 0.00 0.00 0.00 0.00 52 I 7.62 3.43 1.70 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 1.41 0.81 0.19 0.00 0.00 53 V 8.04 3.43 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 0.93 0.00 0.00 0.96 0.00 0.00 54 E 7.90 3.83 0.00 1.95 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 2.24 2.23 0.00 55 K 7.87 3.67 0.00 0.82 1.25 0.00 1.08 0.00 0.00 0.90 0.00 0.00 2.83 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.30 0.62 7.81 56 L 7.67 3.48 0.00 1.58 1.33 0.93 0.60 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 57 S 7.71 3.98 0.00 3.90 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 58 S 7.24 4.29 0.00 3.91 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 59 L 6.85 3.72 0.00 1.18 1.27 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.22 0.00 2.21 2.18 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 61 F 7.00 4.78 0.00 3.35 3.21 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 0.00 62 Q 9.68 4.31 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 63 K 8.92 4.90 0.00 1.84 1.64 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.41 7.81 64 I 8.26 4.95 0.56 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.74 0.82 0.00 0.00 65 Q 8.78 4.72 0.00 2.11 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 66 H 9.76 5.52 0.00 2.86 2.91 0.00 5.85 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 67 S 9.03 4.60 0.00 3.83 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 68 I 8.53 4.40 1.87 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.96 0.00 0.00 69 T 9.02 4.51 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 1.16 0.00 0.00 70 A 7.66 4.88 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 71 Q 8.21 5.60 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 72 D 8.42 5.06 0.00 2.53 2.53 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 73 H 8.78 5.56 0.00 3.19 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.91 4.49 0.00 1.87 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 75 P 0.00 4.95 0.00 1.75 1.45 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 76 T 8.36 4.58 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 1.23 0.00 0.00 77 P 0.00 4.25 0.00 2.04 2.14 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 78 D 8.02 4.72 0.00 2.67 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 79 S 7.96 3.91 0.00 4.10 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 80 C 7.94 4.97 0.00 2.95 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.73 4.94 1.68 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.75 0.99 0.00 0.00 82 I 8.72 4.85 1.88 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 1.24 1.62 0.89 0.00 0.00 83 S 9.43 5.39 0.00 3.95 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 84 E 9.25 5.14 0.00 1.99 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 2.15 2.17 0.00 85 V 8.96 4.89 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.34 0.00 0.00 86 V 8.29 4.27 1.97 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 0.61 0.00 0.00 0.82 0.00 0.00 87 G 6.73 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 88 Q 8.57 5.53 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 89 L 9.14 5.12 0.00 1.47 1.45 0.93 0.39 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 90 K 8.94 4.89 0.00 1.80 1.61 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.36 7.81 91 A 8.54 4.98 1.21 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 0.00 0.00 0.00 92 D 9.11 4.46 0.00 2.80 1.94 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 93 E 9.07 4.52 0.00 1.97 1.99 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 2.26 2.27 0.00 94 D 8.26 4.60 0.00 2.71 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 95 P 0.00 4.52 0.00 2.19 2.06 0.00 3.81 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 2.01 2.00 0.00 96 I 8.13 4.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.92 0.00 0.00 97 M 9.04 4.88 0.00 1.97 1.96 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 2.73 2.50 0.00 98 G 8.66 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 0.00 0.00 0.00 99 F 8.55 5.41 0.00 3.09 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 0.00 100 H 9.31 5.09 0.00 3.09 3.00 0.00 5.56 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 0.00 101 Q 9.12 5.28 0.00 2.64 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 1.16 2.26 0.00 102 M 8.86 5.25 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 103 F 9.13 5.32 0.00 2.95 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 0.00 104 L 9.15 5.14 0.00 1.77 1.56 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.23 5.33 0.00 1.54 1.55 0.46 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.98 4.95 0.00 1.85 1.59 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.36 7.81 107 N 7.81 4.23 0.00 1.44 1.96 0.00 0.00 6.83 7.94 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 0.00 108 I 8.27 4.43 1.83 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 1.23 0.56 0.89 0.00 0.00 109 N 9.61 3.92 0.00 2.81 2.85 0.00 0.00 6.95 8.06 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 0.00 110 D 8.18 4.20 0.00 2.74 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 0.00 111 A 7.59 4.75 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 0.00 112 W 8.92 4.70 0.00 3.39 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 0.00 113 V 8.95 4.90 2.33 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 0.87 0.00 0.00 1.04 0.00 0.00 114 C 9.41 5.02 0.00 2.95 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 0.00 115 T 8.97 4.54 4.32 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 1.27 0.00 0.00 116 N 8.12 5.54 0.00 2.66 2.74 0.00 0.00 6.54 8.08 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 0.00 117 D 9.45 5.14 0.00 3.03 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 0.00 118 M 8.95 5.16 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 119 F 9.23 5.23 0.00 3.00 2.59 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 0.00 120 R 7.40 4.41 0.00 1.52 1.51 0.00 3.05 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 121 L 8.07 4.51 0.00 1.46 1.57 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 122 A 9.24 4.76 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 0.00 123 L 8.88 4.18 0.00 1.65 1.65 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.76 4.49 0.00 2.33 2.61 0.00 5.88 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 0.00 125 N 8.17 4.44 0.00 2.56 2.61 0.00 0.00 6.97 7.02 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 0.00 126 F 8.47 4.55 0.00 3.05 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