NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3633 8.1933 115.2759 58.4176 64.5492 175.9713 2 I 3.2940 7.3545 120.6915 63.7000 37.1118 177.0451 3 Q 4.0907 8.0890 119.6569 58.2873 29.6651 176.9087 4 A 4.0497 7.2610 119.7176 53.9251 18.9542 177.6734 5 E 3.6547 7.5492 117.5657 55.6117 29.6478 178.0931 6 E 3.8370 8.3378 122.0494 58.4899 29.9864 177.6140 7 W 4.5795 7.2311 115.0107 56.7239 28.8507 174.7264 8 Y 5.1065 7.7141 122.4170 56.8957 37.8999 175.3948 9 F 4.4412 9.2455 126.5306 56.6105 40.6296 178.3427 10 G 3.4206 5.6501 110.2939 46.6746 0.0000 176.4350 11 K 4.6331 8.5588 120.4574 54.6367 30.4768 175.2320 12 I 4.6647 7.5249 115.4390 57.8897 40.8738 176.8584 13 T 4.3127 8.1103 112.6250 61.0348 71.0459 175.6948 14 R 3.7634 9.2928 121.7138 59.6350 29.9299 178.5792 15 R 3.8559 7.9109 117.9438 59.3636 30.0817 177.9316 16 E 3.9319 8.3037 119.3818 59.2434 29.6047 178.8298 17 S 4.0416 8.2622 114.4773 61.5605 62.8898 176.4368 18 E 3.9190 8.3313 122.2031 59.0215 28.9943 179.0813 19 R 3.8923 8.0305 117.9424 59.5931 30.1834 178.2675 20 L 4.1442 7.8287 117.3858 57.8072 41.5460 179.1797 21 L 4.2203 8.1734 118.4271 56.7304 41.3722 178.3182 22 L 4.5428 7.6315 117.4468 53.7654 41.8577 176.1692 23 N 4.4008 7.5105 118.7347 53.1127 39.2782 175.8080 24 A 4.0383 8.7373 128.7195 55.1775 18.5559 178.1530 25 E 4.1200 8.5871 114.3658 58.1634 29.8553 176.9174 26 N 4.4779 8.1290 118.3255 52.1272 38.9566 173.5249 27 P 4.5559 0.0000 0.0000 61.3343 32.8615 175.5588 28 R 3.9144 8.0885 117.5781 57.8562 30.4065 177.7034 29 G 4.1319 9.0980 109.6762 46.4402 0.0000 173.4896 30 T 4.6944 7.5247 117.7975 64.0385 69.7515 173.4294 31 F 5.3893 8.8061 119.6533 56.3885 42.1319 172.4094 32 L 4.6719 8.6382 117.1904 54.9469 43.9125 173.9707 33 V 5.1717 9.1723 120.5525 61.4186 34.7202 174.5563 34 R 4.9011 9.1140 122.6219 54.6061 33.5484 173.8649 35 E 4.6857 8.9039 119.1116 56.1576 30.1600 177.4070 36 S 4.2666 8.4328 117.8365 58.3883 62.6632 174.3041 37 E 4.1491 9.0355 126.2851 59.0633 29.4049 177.9778 38 T 4.3825 7.7553 104.6843 61.3079 70.6521 173.8262 39 T 4.2984 8.0737 120.8847 61.4555 68.1162 174.2658 40 K 4.0959 8.3774 126.3826 58.0238 32.9395 177.9157 41 G 3.7218 8.7160 108.5248 45.6298 0.0000 172.8642 42 A 4.7094 7.4837 121.4855 50.3648 22.1792 175.5121 43 Y 5.1697 8.6964 116.8837 56.3633 42.1672 174.3261 44 C 5.2827 9.6140 120.4031 57.7572 35.0955 172.2669 45 L 4.9713 9.3939 129.0955 54.1056 43.2794 174.9560 46 S 5.2132 9.0014 123.5435 56.9630 65.1737 173.6874 47 V 5.0959 8.8477 124.4619 61.1122 35.0440 174.5250 48 S 5.0248 9.2048 122.5592 58.0311 64.9626 172.4469 49 D 5.2386 9.2732 120.9996 53.1345 45.5147 173.5373 50 F 5.5660 8.7944 121.8893 57.5060 42.4489 172.5558 51 D 4.4843 7.3613 123.5005 51.9817 42.4102 175.9447 52 N 4.2173 8.6715 116.2912 56.1882 38.8031 176.8803 53 A 4.0336 7.9421 120.2470 54.7801 18.5617 178.3566 54 K 4.2050 8.9985 113.5061 55.5287 34.1563 179.2278 55 G 3.3653 7.9726 107.8701 44.9361 0.0000 171.9361 56 L 4.9659 8.5771 124.3422 55.1479 42.9822 177.0549 57 N 5.0831 9.2468 122.7333 51.8965 41.5162 173.0166 58 V 4.9230 8.2178 117.8264 61.0338 34.5326 174.5124 59 K 4.5818 8.9913 125.7412 54.7868 35.7999 174.6978 60 H 5.2214 8.1126 118.6585 54.1716 32.2189 172.5632 61 Y 4.7589 8.7745 119.9051 55.9294 41.1111 174.6748 62 K 4.7271 8.8185 125.3026 56.1133 34.0941 175.1248 63 I 4.9449 8.9682 128.3885 59.8327 39.5427 175.0123 64 R 4.6733 8.7340 126.5722 54.5406 32.5600 175.3828 65 K 4.6263 8.0867 121.9792 54.6375 34.8867 175.7585 66 L 4.4769 8.7450 127.7961 53.8436 42.8319 177.7944 67 D 4.3587 8.4807 120.9627 57.3005 40.9974 178.0932 68 S 4.2055 7.9255 113.6025 59.4681 62.9453 174.1150 69 G 4.1055 8.0657 108.7524 45.3623 0.0000 174.7285 70 G 4.0730 8.0113 106.0527 45.9231 0.0000 172.6653 71 F 5.6270 9.1818 120.8875 55.8244 42.0695 174.3066 72 Y 5.1713 8.5013 118.8859 57.3033 41.0881 175.0143 73 I 4.2551 9.0082 119.9607 62.2787 38.5505 176.1364 74 T 4.7599 7.8231 114.6180 59.7804 68.9458 175.0526 75 S 2.8227 8.6263 123.0801 60.6452 63.0104 175.7166 76 R 3.9149 7.3750 118.6161 58.2622 29.8848 176.7224 77 T 4.1426 7.7698 113.6928 61.4495 69.5386 172.9917 78 Q 4.8863 7.7034 123.9182 53.8707 31.6890 175.2963 79 F 4.9154 8.8067 117.4490 55.8471 42.7537 176.0811 80 N 4.7341 9.0037 119.7550 55.2155 39.1342 175.7116 81 S 4.5330 7.6626 112.3330 55.9400 67.2954 175.0741 82 L 3.4716 7.1546 123.9310 58.0269 41.7571 179.1514 83 Q 4.2174 7.9013 117.6945 59.2465 28.7499 178.7102 84 Q 3.9643 8.1547 118.9793 58.5072 28.6810 178.5374 85 L 2.4400 7.3987 121.3034 57.5703 42.0125 179.1471 86 V 3.1660 7.6424 118.2414 65.8393 29.8059 177.8277 87 A 3.8751 7.9012 120.4948 55.0883 18.1725 179.0515 88 Y 3.8775 7.7442 118.0481 60.9845 38.9740 177.3246 89 Y 4.5312 7.7053 116.9590 58.7952 37.8190 177.2574 90 S 4.8250 7.2592 117.1723 58.8195 63.2532 174.6439 91 K 4.2474 6.9742 118.1268 56.4849 33.9295 176.1792 92 H 4.6713 7.6882 115.7366 53.5923 31.1118 174.9341 93 A 4.0321 8.6672 127.1080 53.9153 19.8777 179.3602 94 D 4.2247 7.7178 113.0744 55.9661 40.2246 175.1037 95 G 3.9557 8.9227 116.4890 46.2809 0.0000 173.3826 96 L 3.8670 7.8044 121.1509 53.7845 42.2610 177.9327 97 C 4.2756 8.7830 115.7832 61.3688 29.7572 173.4058 98 H 4.4721 7.1675 116.9245 54.8760 32.5328 173.5567 99 R 4.1445 7.7245 120.5473 55.7325 30.0994 175.8952 100 L 4.3111 8.6634 120.8419 55.1339 41.4651 175.9528 101 T 4.5750 8.5184 112.7386 62.0637 70.5139 173.5776 102 T 4.7829 7.6579 116.1884 58.8349 71.0583 172.8547 103 V 3.5480 8.3620 127.9067 62.4509 32.3473 175.1518 104 C 4.1146 8.4875 129.2431 59.2907 31.6822 171.8749 105 P 4.5671 0.0000 0.0000 62.5174 31.9067 176.4204 106 T 4.2910 8.3735 109.7579 62.0535 69.0191 174.6642 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 8.19 4.36 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.35 3.29 1.51 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 1.12 0.40 -0.16 0.00 0.00 3 Q 8.09 4.09 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 4 A 7.26 4.05 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 5 E 7.55 3.65 0.00 1.16 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 2.08 1.47 0.00 6 E 8.34 3.84 0.00 1.99 1.98 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 2.33 2.26 0.00 7 W 7.23 4.58 0.00 3.50 3.18 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 8 Y 7.71 5.11 0.00 2.78 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 F 9.25 4.44 0.00 2.74 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 5.65 3.42 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 0.00 11 K 8.56 4.63 0.00 1.78 1.78 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.59 7.81 12 I 7.52 4.66 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 1.00 0.00 0.00 13 T 8.11 4.31 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 1.21 0.00 0.00 14 R 9.29 3.76 0.00 1.73 1.97 0.00 2.96 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.00 15 R 7.91 3.86 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 16 E 8.30 3.93 0.00 2.15 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 2.35 2.39 0.00 17 S 8.26 4.04 0.00 4.02 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 18 E 8.33 3.92 0.00 2.18 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 0.00 2.37 2.52 0.00 19 R 8.03 3.89 0.00 1.89 2.12 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 20 L 7.83 4.14 0.00 1.76 1.67 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.17 4.22 0.00 1.71 1.69 0.88 0.65 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 22 L 7.63 4.54 0.00 1.68 1.70 0.94 0.90 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 23 N 7.51 4.40 0.00 2.77 2.69 0.00 0.00 7.07 8.39 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 24 A 8.74 4.04 1.30 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 0.00 0.00 25 E 8.59 4.12 0.00 2.08 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 2.33 2.34 0.00 26 N 8.13 4.48 0.00 2.79 2.76 0.00 0.00 7.00 7.72 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 27 P 0.00 4.56 0.00 2.19 2.15 0.00 3.70 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 2.07 1.97 0.00 28 R 8.09 3.91 0.00 1.49 1.58 0.00 3.26 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 29 G 9.10 4.13 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 0.00 0.00 0.00 30 T 7.52 4.69 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 1.18 0.00 0.00 31 F 8.81 5.39 0.00 3.23 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.64 4.67 0.00 1.15 1.01 0.73 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.17 5.17 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 1.21 0.00 0.00 1.08 0.00 0.00 34 R 9.11 4.90 0.00 2.01 1.96 0.00 3.01 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 35 E 8.90 4.69 0.00 1.95 1.98 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 2.59 2.50 0.00 36 S 8.43 4.27 0.00 3.90 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 37 E 9.04 4.15 0.00 1.98 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 2.31 2.28 0.00 38 T 7.76 4.38 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 1.20 0.00 0.00 39 T 8.07 4.30 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 40 K 8.38 4.10 0.00 1.83 1.80 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.37 7.81 41 G 8.72 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.48 4.71 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 43 Y 8.70 5.17 0.00 3.18 3.18 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 44 C 9.61 5.28 0.00 2.98 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.39 4.97 0.00 1.83 1.82 0.94 0.55 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 46 S 9.00 5.21 0.00 3.80 3.74 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 47 V 8.85 5.10 2.27 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 1.17 0.00 0.00 1.09 0.00 0.00 48 S 9.20 5.02 0.00 3.94 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 49 D 9.27 5.24 0.00 2.77 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 50 F 8.79 5.57 0.00 3.09 2.90 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 51 D 7.36 4.48 0.00 2.63 2.61 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 52 N 8.67 4.22 0.00 2.69 2.90 0.00 0.00 6.88 7.35 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 53 A 7.94 4.03 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 54 K 9.00 4.21 0.00 1.59 1.79 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.29 7.81 55 G 7.97 3.37 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 0.00 56 L 8.58 4.97 0.00 1.92 1.71 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.25 5.08 0.00 2.80 2.84 0.00 0.00 5.97 7.74 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 58 V 8.22 4.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.91 0.00 0.00 59 K 8.99 4.58 0.00 1.60 1.15 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.56 7.81 60 H 8.11 5.22 0.00 2.85 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.77 4.76 0.00 2.92 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 62 K 8.82 4.73 0.00 1.87 1.71 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.67 7.81 63 I 8.97 4.94 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 1.24 0.00 0.00 64 R 8.73 4.67 0.00 0.67 1.47 0.00 3.17 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.00 65 K 8.09 4.63 0.00 1.36 1.52 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.14 1.27 7.81 66 L 8.75 4.48 0.00 1.78 1.57 1.04 0.95 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 67 D 8.48 4.36 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.93 4.21 0.00 3.86 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 69 G 8.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.01 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 0.00 0.00 0.00 71 F 9.18 5.63 0.00 3.18 3.08 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 72 Y 8.50 5.17 0.00 3.44 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 73 I 9.01 4.26 1.93 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.28 0.96 0.00 0.00 74 T 7.82 4.76 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 75 S 8.63 2.82 0.00 3.53 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.38 3.91 0.00 1.80 1.97 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 77 T 7.77 4.14 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 0.76 0.00 0.00 78 Q 7.70 4.89 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.78 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 79 F 8.81 4.92 0.00 3.22 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 80 N 9.00 4.73 0.00 3.04 2.97 0.00 0.00 6.76 7.57 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 81 S 7.66 4.53 0.00 3.74 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 82 L 7.15 3.47 0.00 0.73 1.39 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.90 4.22 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.65 2.89 0.00 84 Q 8.15 3.96 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 85 L 7.40 2.44 0.00 1.57 1.62 1.19 0.76 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 86 V 7.64 3.17 1.64 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 0.23 0.00 0.00 -0.02 0.00 0.00 87 A 7.90 3.88 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 88 Y 7.74 3.88 0.00 2.81 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 0.00 0.00 0.00 0.00 89 Y 7.71 4.53 0.00 2.94 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 90 S 7.26 4.82 0.00 3.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 6.97 4.25 0.00 1.48 1.47 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.38 7.81 92 H 7.69 4.67 0.00 2.55 3.14 0.00 5.61 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 93 A 8.67 4.03 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 94 D 7.72 4.22 0.00 3.12 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 0.00 0.00 0.00 0.00 95 G 8.92 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 0.00 0.00 0.00 96 L 7.80 3.87 0.00 1.64 1.27 0.41 -0.58 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 97 C 8.78 4.28 0.00 3.38 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 7.17 4.47 0.00 3.12 3.17 0.00 5.76 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 99 R 7.72 4.14 0.00 2.06 1.94 0.00 3.17 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 100 L 8.66 4.31 0.00 1.17 0.44 0.22 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.52 4.57 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 1.35 0.00 0.00 102 T 7.66 4.78 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 1.26 0.00 0.00 103 V 8.36 3.55 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 0.86 0.00 0.00 0.99 0.00 0.00 104 C 8.49 4.11 0.00 2.88 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.57 0.00 2.11 1.98 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 T 8.37 4.29 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 1.17 0.00 0.00