NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6445 8.4293 116.1800 55.1403 29.2981 173.2485 2 C 4.1622 7.4860 114.7519 56.7580 30.1344 172.7924 3 D 4.5132 8.3720 118.4471 54.9552 40.2901 175.2905 4 L 4.0710 7.4281 120.9789 57.3669 42.1374 175.9722 5 P 4.5432 0.0000 0.0000 62.3925 32.2591 175.3369 6 C 4.3116 8.4502 113.1566 57.7795 30.7875 175.0308 7 G 3.9100 8.3225 107.4137 45.3853 0.0000 172.8655 8 V 4.3032 7.2453 118.7697 61.0199 32.6926 174.3262 9 Y 4.6737 8.0300 123.6162 56.5977 42.1883 174.5346 10 D 3.7024 7.7936 117.2030 51.7314 43.9794 174.8001 11 P 4.1800 0.0000 0.0000 64.3472 31.2571 178.0967 12 A 3.9663 8.4543 120.8191 55.1037 18.0513 179.6931 13 Q 3.8010 7.8761 116.3008 59.0177 28.6553 178.7940 14 A 4.0584 7.7691 121.3291 54.9633 18.4335 179.4011 15 R 3.8201 8.2010 117.4684 59.7707 30.2861 178.6930 16 I 3.6924 8.1482 119.8905 64.6354 37.0905 178.3470 17 E 4.0234 8.0806 119.2391 59.2582 29.3305 179.2328 18 A 4.0672 8.3755 121.0627 54.9785 18.2833 179.5822 19 E 3.9776 8.4635 117.8259 59.6362 29.4308 179.6420 20 S 4.1222 7.9957 115.1779 61.3052 62.8298 176.7524 21 V 3.5657 7.8332 121.0580 66.0028 31.2113 178.0628 22 K 4.1125 8.1886 118.9962 59.4880 32.0346 178.5503 23 A 4.2814 8.2425 122.7117 54.7257 18.1792 179.7122 24 I 3.7260 8.1772 118.6939 64.5935 37.1585 178.6510 25 Q 4.0226 8.1310 118.9477 58.9556 28.0304 178.6766 26 E 3.9815 8.4180 119.8268 59.5275 29.6642 179.6796 27 K 4.1142 8.3362 118.4624 59.7558 31.9382 179.3677 28 M 4.4268 8.6208 119.1665 58.3933 31.6102 178.6216 29 A 4.2167 8.0937 119.9161 53.8665 18.5274 177.9218 30 A 4.5142 7.5502 117.5640 51.6956 19.4311 176.1567 31 N 4.5604 7.8377 115.1137 53.4010 39.9370 173.1505 32 D 4.7652 8.5087 123.9236 53.8792 41.7115 176.3501 33 D 4.4539 8.1579 117.8911 54.5298 42.6427 176.3793 34 L 3.9291 8.6183 128.2970 58.9925 42.2397 179.1209 35 H 4.1183 8.2741 115.3897 58.7020 28.6616 177.5332 36 F 4.1550 8.5831 122.6410 61.3318 39.2434 177.2799 37 Q 3.9688 8.4415 117.8595 58.8414 28.4421 178.8964 38 I 3.6356 7.9266 120.9134 64.4274 37.1301 178.6360 39 R 3.8067 7.8783 118.5265 59.2185 29.8599 178.9129 40 A 3.7011 7.8903 120.7558 55.3774 18.1776 179.8305 41 T 3.7298 7.8507 114.0966 66.6498 68.6590 176.9554 42 V 3.5339 7.7807 120.0989 66.2758 31.4840 178.2233 43 I 4.0172 7.8632 120.9621 63.4852 36.8415 178.2882 44 K 3.8671 8.3713 121.0445 59.4386 32.1172 178.2540 45 E 3.8925 8.3289 119.6862 59.5721 29.0944 178.9719 46 Q 3.9931 7.8537 117.4085 59.1165 28.8010 178.9535 47 R 4.0240 8.4212 119.2833 59.0200 29.9960 178.9773 48 A 4.0116 8.2921 121.0093 55.0100 18.3015 179.3090 49 E 3.8678 8.0973 117.4675 59.3772 29.6268 179.0876 50 L 3.9181 7.9365 118.7134 57.5717 41.6697 179.2566 51 A 4.0525 8.1697 120.7681 55.1780 18.2929 179.7776 52 K 3.9050 8.2656 117.1074 59.7884 32.0380 178.9533 53 H 4.1169 8.3795 118.4590 59.7345 29.8753 176.8899 54 H 4.2030 8.3180 118.0811 59.0608 28.5515 177.8509 55 L 4.1215 8.1081 120.6867 57.8340 41.4303 179.2194 56 D 4.5672 8.6060 119.4166 57.4010 40.6821 179.0173 57 V 3.7369 8.1533 118.9814 65.9343 31.4632 178.0854 58 L 3.9346 8.0235 118.6212 57.4798 41.2766 179.2237 59 W 4.6466 8.3854 127.1854 60.8276 30.8257 177.7890 60 S 3.9624 8.7561 113.0332 60.5015 62.8253 175.0892 61 D 4.6942 8.2819 120.9698 55.8167 41.8186 177.3998 62 Y 3.4930 7.4879 118.3838 60.0266 39.0568 175.6081 63 F 4.0172 7.8996 118.2357 57.3350 39.5522 174.9309 64 K 4.6115 8.0526 123.0000 53.3441 35.5191 175.1618 65 P 4.4643 0.0000 0.0000 65.8687 30.9695 177.1377 66 P 4.2326 0.0000 0.0000 65.8233 31.0992 178.4114 67 H 4.2984 7.8470 115.0516 59.0130 28.4071 177.9549 68 F 4.2648 7.6921 117.8015 60.1775 38.8086 177.0422 69 E 4.1269 8.1624 118.6862 59.5071 29.5929 178.7746 70 S 4.2284 8.2550 114.2056 60.0367 64.1701 174.1651 71 Y 4.6700 8.0479 120.1568 54.4787 37.5906 174.0989 72 P 4.4339 0.0000 0.0000 64.9101 31.7414 177.8487 73 E 4.4247 8.1326 115.5354 56.4640 30.6623 177.5900 74 L 3.8863 8.4466 123.0416 58.7522 42.0212 178.1323 75 H 4.3772 8.4286 115.5760 59.5783 28.6876 177.6505 76 T 3.7850 7.9392 116.6678 66.3757 68.3330 176.2436 77 L 3.7643 8.1063 122.3856 58.2104 42.1661 179.2964 78 V 3.5429 7.9985 118.3818 65.8471 31.4687 177.3588 79 N 4.0156 8.1121 116.9465 56.7848 38.6916 176.6730 80 E 3.7160 8.3320 120.0362 58.9886 29.3787 179.2303 81 A 3.9504 7.4966 120.7267 55.3960 18.5561 180.2008 82 V 3.5992 7.7475 110.8712 64.4482 31.5750 179.0633 83 K 3.9824 8.1827 118.1312 59.2241 31.8069 179.2689 84 A 4.1010 8.3089 121.6864 55.0876 18.2751 179.7076 85 L 4.0294 7.9763 117.6699 57.9593 41.5928 179.8443 86 S 4.1423 8.1826 115.0799 61.4315 62.4949 176.5605 87 A 4.0135 7.9815 122.6058 55.0294 18.4827 179.2464 88 A 4.1748 7.9458 120.7485 54.5877 18.1746 179.9823 89 K 3.9408 7.8307 116.2349 59.3609 32.1827 178.4379 90 A 4.4570 7.3636 117.7331 51.3362 18.8159 176.7200 91 S 4.6070 7.3399 112.3561 57.7545 65.6259 173.9574 92 T 4.3455 8.3342 113.8132 61.3179 69.4481 173.9086 93 D 4.5316 8.3075 124.4237 53.2562 41.4193 175.0801 94 P 4.4274 0.0000 0.0000 65.5235 31.2392 178.3238 95 A 4.0030 8.8718 120.5862 55.1984 17.8070 179.7584 96 T 3.9682 8.2167 108.9037 64.8742 68.8903 177.1960 97 G 3.6072 7.9501 108.6979 47.5587 0.0000 175.4629 98 Q 3.9831 8.4460 122.4069 58.7158 29.0913 178.1961 99 K 3.7837 8.2663 120.5712 59.3105 32.1049 178.6586 100 A 4.1503 7.8698 120.8773 55.2698 18.2672 179.5845 101 L 3.9605 7.9624 117.5304 57.9879 41.5560 179.5198 102 D 4.3051 8.4366 119.2185 57.6618 40.7828 178.5173 103 Y 4.2988 7.7740 117.0456 61.1295 37.8055 178.5076 104 I 3.7848 8.2879 120.8879 64.3791 37.1996 178.1941 105 A 4.0889 8.3709 121.8286 55.4590 18.2791 179.7740 106 Q 4.0467 7.9757 116.2248 59.0949 28.7681 179.0016 107 I 3.8222 7.9472 121.0519 64.1711 37.0850 177.8215 108 D 4.3889 8.6201 119.4658 57.2305 41.0643 178.2318 109 K 4.0758 8.1370 119.9697 59.8256 32.2176 178.7815 110 I 3.5720 7.6127 119.5150 64.0706 36.6711 178.0581 111 F 4.0283 8.5456 120.8754 61.3474 39.4200 177.0680 112 W 4.0892 8.4140 118.4459 59.5444 28.8315 178.3982 113 E 4.1006 8.5124 119.0814 59.6634 28.7585 179.3366 114 T 4.0920 7.8543 108.0769 63.8982 68.9752 176.2273 115 K 4.0401 7.2983 120.1464 57.0742 32.5040 177.1564 116 K 4.1223 7.4902 118.8430 56.8123 32.8623 176.8349 117 A 4.1319 8.7292 125.0366 52.7901 18.6623 176.4787 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 H 8.43 4.64 0.00 3.24 3.28 0.00 5.47 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.49 4.16 0.00 3.12 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 3 D 8.37 4.51 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.43 4.07 0.00 1.74 1.74 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.54 0.00 2.30 2.10 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 6 C 8.45 4.31 0.00 3.00 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 7 G 8.32 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 8 V 7.25 4.30 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 0.88 0.00 0.00 0.92 0.00 0.00 9 Y 8.03 4.67 0.00 2.72 2.38 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 10 D 7.79 3.70 0.00 2.56 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 0.00 0.00 0.00 0.00 11 P 0.00 4.18 0.00 2.29 1.92 0.00 3.10 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 1.48 1.22 0.00 12 A 8.45 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.88 3.80 0.00 1.83 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 14 A 7.77 4.06 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 15 R 8.20 3.82 0.00 1.97 2.07 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 16 I 8.15 3.69 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.91 0.00 0.00 17 E 8.08 4.02 0.00 1.98 2.21 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 2.57 2.56 0.00 18 A 8.38 4.07 1.40 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 0.00 0.00 19 E 8.46 3.98 0.00 2.26 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 0.00 2.34 2.47 0.00 20 S 8.00 4.12 0.00 4.07 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 21 V 7.83 3.57 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 22 K 8.19 4.11 0.00 1.89 1.80 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 A 8.24 4.28 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 24 I 8.18 3.73 2.02 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 1.52 0.87 0.90 0.00 0.00 25 Q 8.13 4.02 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 26 E 8.42 3.98 0.00 2.22 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 0.00 2.35 2.52 0.00 27 K 8.34 4.11 0.00 2.17 2.07 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.74 1.76 7.81 28 M 8.62 4.43 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.55 0.00 29 A 8.09 4.22 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 30 A 7.55 4.51 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 31 N 7.84 4.56 0.00 2.30 2.26 0.00 0.00 6.96 8.35 0.00 0.00 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 D 8.51 4.77 0.00 2.67 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 33 D 8.16 4.45 0.00 2.89 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 34 L 8.62 3.93 0.00 1.78 1.63 0.88 1.01 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 35 H 8.27 4.12 0.00 3.49 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.58 4.16 0.00 3.20 3.26 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 37 Q 8.44 3.97 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 38 I 7.93 3.64 1.96 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 1.48 0.68 0.88 0.00 0.00 39 R 7.88 3.81 0.00 1.68 1.87 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 40 A 7.89 3.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.85 3.73 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 1.18 0.00 0.00 42 V 7.78 3.53 2.19 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 1.00 0.00 0.00 0.93 0.00 0.00 43 I 7.86 4.02 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 0.89 0.00 0.00 44 K 8.37 3.87 0.00 1.83 1.96 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.33 3.89 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 46 Q 7.85 3.99 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 47 R 8.42 4.02 0.00 1.80 2.08 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 48 A 8.29 4.01 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 49 E 8.10 3.87 0.00 2.22 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 0.00 2.29 2.38 0.00 50 L 7.94 3.92 0.00 1.94 1.68 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.17 4.05 1.40 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 0.00 0.00 52 K 8.27 3.90 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.62 7.81 53 H 8.38 4.12 0.00 3.22 3.43 0.00 5.79 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 54 H 8.32 4.20 0.00 3.37 3.30 0.00 5.67 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 55 L 8.11 4.12 0.00 1.89 1.77 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.61 4.57 0.00 2.87 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 57 V 8.15 3.74 2.31 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 1.34 0.00 0.00 0.91 0.00 0.00 58 L 8.02 3.93 0.00 2.10 1.72 0.82 0.43 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 59 W 8.39 4.65 0.00 3.52 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 0.00 60 S 8.76 3.96 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 61 D 8.28 4.69 0.00 2.98 2.96 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 62 Y 7.49 3.49 0.00 1.43 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 63 F 7.90 4.02 0.00 3.12 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 0.00 0.00 0.00 64 K 8.05 4.61 0.00 1.32 1.50 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.11 7.81 65 P 0.00 4.46 0.00 2.15 2.17 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 66 P 0.00 4.23 0.00 1.98 2.04 0.00 3.33 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 1.99 2.12 0.00 67 H 7.85 4.30 0.00 2.92 3.15 0.00 5.64 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 68 F 7.69 4.26 0.00 3.16 3.03 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 69 E 8.16 4.13 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 70 S 8.26 4.23 0.00 3.74 3.51 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 71 Y 8.05 4.67 0.00 3.00 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 72 P 0.00 4.43 0.00 2.21 2.24 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 73 E 8.13 4.42 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 74 L 8.45 3.89 0.00 1.82 1.89 0.47 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.43 4.38 0.00 3.25 3.35 0.00 5.68 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 76 T 7.94 3.78 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 1.17 0.00 0.00 77 L 8.11 3.76 0.00 1.84 1.83 1.04 1.10 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 78 V 8.00 3.54 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 0.94 0.00 0.00 1.10 0.00 0.00 79 N 8.11 4.02 0.00 2.70 2.74 0.00 0.00 7.25 7.84 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 80 E 8.33 3.72 0.00 1.49 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 2.14 2.21 0.00 81 A 7.50 3.95 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 82 V 7.75 3.60 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 0.94 0.00 0.00 0.89 0.00 0.00 83 K 8.18 3.98 0.00 1.93 1.81 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 84 A 8.31 4.10 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.98 4.03 0.00 1.90 1.73 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.18 4.14 0.00 4.01 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 87 A 7.98 4.01 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 88 A 7.95 4.17 1.40 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 0.00 0.00 89 K 7.83 3.94 0.00 1.97 2.01 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 A 7.36 4.46 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 91 S 7.34 4.61 0.00 3.82 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 92 T 8.33 4.35 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 1.22 0.00 0.00 93 D 8.31 4.53 0.00 2.70 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 94 P 0.00 4.43 0.00 2.20 2.11 0.00 3.66 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 2.13 2.18 0.00 95 A 8.87 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.22 3.97 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 1.22 0.00 0.00 97 G 7.95 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.45 3.98 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 99 K 8.27 3.78 0.00 1.95 1.95 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.28 7.81 100 A 7.87 4.15 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 0.00 101 L 7.96 3.96 0.00 1.90 1.74 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.44 4.31 0.00 2.56 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 0.00 103 Y 7.77 4.30 0.00 3.21 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 0.00 104 I 8.29 3.78 2.07 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 1.51 0.90 0.94 0.00 0.00 105 A 8.37 4.09 1.42 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 0.00 0.00 106 Q 7.98 4.05 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 107 I 7.95 3.82 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 1.10 0.00 0.00 108 D 8.62 4.39 0.00 2.93 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 0.00 109 K 8.14 4.08 0.00 1.97 2.02 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.58 7.81 110 I 7.61 3.57 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.40 -0.03 0.00 0.00 111 F 8.55 4.03 0.00 2.90 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.41 4.09 0.00 3.57 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 E 8.51 4.10 0.00 2.22 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 2.45 2.61 0.00 114 T 7.85 4.09 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 1.31 0.00 0.00 115 K 7.30 4.04 0.00 1.83 1.87 0.00 1.49 0.00 0.00 0.92 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.39 0.26 7.81 116 K 7.49 4.12 0.00 1.91 1.78 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.71 7.81 117 A 8.73 4.13 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