NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4365 8.3349 115.4129 57.8555 64.6391 173.8438 2 K 4.1184 8.0914 119.5548 57.2749 32.8760 175.3865 3 T 4.2588 8.4377 117.2512 65.1402 71.1596 175.1776 4 N 4.3043 8.0025 120.3552 53.3864 39.6903 173.5196 5 P 4.3064 0.0000 0.0000 65.4435 31.4409 179.0099 6 R 3.8690 8.5055 117.3742 59.2672 30.0874 178.6899 7 L 3.9541 8.1176 119.5969 58.1390 41.9659 178.7990 8 S 4.0630 8.0984 113.0256 61.6132 62.3071 176.4445 9 S 4.1247 8.1342 117.8989 61.2889 62.4965 176.2811 10 L 3.8712 8.2698 123.5262 58.3018 41.9252 179.1009 11 I 3.6724 7.7842 119.3650 64.3691 36.9515 178.3149 12 A 4.0085 7.8306 121.1068 55.3078 18.2098 179.4487 13 D 4.2631 8.3569 117.6621 57.4619 40.9591 179.0170 14 L 3.9005 8.3042 119.9713 57.4476 41.5480 179.8475 15 K 3.9813 7.8590 118.0737 59.6827 32.2749 179.2053 16 S 4.1051 8.3880 113.4393 61.4471 62.1679 176.1684 17 A 4.1182 7.9552 122.7075 54.8521 18.1912 179.4404 18 A 4.2509 7.9394 118.0051 55.0854 18.4421 179.9095 19 R 4.0960 7.9385 116.1303 60.0574 30.4985 178.6957 20 S 4.1983 7.8906 113.8028 60.9891 62.9652 175.8813 21 S 4.4179 8.0911 116.1570 58.4176 63.5665 175.3119 22 G 3.9993 8.5553 108.3723 45.8170 0.0000 174.3880 23 G 3.8353 7.4505 107.5390 45.2593 0.0000 173.6279 24 A 4.5719 8.0377 121.6770 51.9511 21.5389 179.1283 25 V 3.4828 7.4581 109.1355 64.2661 31.4888 178.3941 26 W 4.9376 7.6742 118.3552 60.1565 28.9946 178.7115 27 G 3.6513 8.2041 105.0671 47.6237 0.0000 175.1837 28 D 4.3263 8.1064 120.4464 57.3084 41.2779 178.5746 29 V 3.6496 8.8308 119.6213 65.7392 31.5533 177.8706 30 A 4.0254 8.2399 120.8955 55.2596 18.0164 179.5100 31 E 4.1542 8.0104 115.9956 59.2881 29.7319 179.1265 32 R 4.0966 7.7692 118.6124 59.0394 29.9398 178.4165 33 L 3.7903 7.7477 118.1641 57.3568 41.6642 178.8642 34 E 4.1636 7.8902 117.6590 57.8107 29.5919 177.6093 35 K 4.3049 7.0096 117.4467 54.7569 33.0645 174.8712 36 P 4.1967 0.0000 0.0000 63.1818 31.9065 177.5982 37 R 3.4307 8.8190 121.4754 59.3608 30.1697 178.9832 38 R 3.8739 7.9549 112.8790 59.0828 29.3301 177.5526 39 T 4.1707 7.9103 107.3599 62.9622 69.3895 174.8337 40 H 4.3681 7.9913 119.6234 55.6321 29.5133 174.7727 41 A 4.2706 8.2609 122.9691 52.2749 19.7159 176.9878 42 E 4.7508 8.6252 119.4028 54.6455 31.4424 174.0303 43 V 4.3864 8.7203 124.2129 61.0971 34.0292 174.7238 44 N 5.6335 8.4479 124.1123 51.3538 40.6634 176.0629 45 L 4.0979 8.5045 120.1056 58.0554 41.0471 180.0083 46 G 3.7562 8.2169 105.2073 48.0912 0.0000 175.3637 47 R 3.9948 7.8657 120.6549 58.9630 30.1644 178.6235 48 I 3.7864 7.6910 119.3159 64.3600 36.9875 177.7932 49 E 3.9385 8.2996 119.4788 59.2428 29.4717 178.5419 50 R 3.8781 7.3335 117.2373 58.1909 30.1502 176.3824 51 Y 4.7203 7.4641 112.1315 57.3989 39.1033 175.2029 52 A 4.6844 7.8231 123.7281 51.0142 20.6765 176.6890 53 Q 4.6228 8.0479 115.6338 54.2904 31.5508 174.4719 54 E 3.9577 8.6497 119.7302 58.2676 29.9725 177.0286 55 D 4.4287 8.8676 119.5065 54.6225 38.4695 173.3815 56 E 4.7044 7.7314 120.2944 54.2557 31.6514 175.6518 57 T 4.1958 8.3966 125.0609 63.8145 69.7446 174.0253 58 V 4.2981 8.8887 127.8161 62.6029 33.0616 174.7397 59 V 4.7904 9.2097 128.3182 61.2450 33.9690 174.2404 60 V 4.7774 9.0497 129.5307 58.9859 33.1945 174.9350 61 P 4.7616 0.0000 0.0000 61.4812 31.8174 174.9642 62 G 4.2056 6.4392 116.3918 47.4918 0.0000 175.4849 63 K 5.0597 9.3159 127.0242 54.1907 35.9444 173.6774 64 V 4.7757 8.3428 125.7965 61.4201 33.6534 174.5585 65 L 5.0850 9.7255 127.7097 52.4206 45.2393 176.2847 66 G 4.1590 8.5263 107.3341 47.0833 0.0000 173.6918 67 S 4.5560 8.1674 116.9340 58.5758 64.6737 175.5286 68 G 4.1944 9.0118 109.9877 44.8275 0.0000 172.1379 69 V 4.3573 7.8983 117.0961 60.6012 33.6777 174.3593 70 L 4.8511 8.4712 127.7444 53.4907 44.1031 175.3179 71 Q 4.4791 9.9432 125.6973 56.9807 30.7562 176.8817 72 K 3.9083 8.2657 115.5707 57.3000 32.6987 176.8449 73 D 5.4194 8.5007 123.0166 52.4927 39.9385 175.0799 74 V 4.5159 7.7708 115.6952 59.3739 36.0854 174.3261 75 T 4.9074 8.3308 118.4235 62.1599 70.6129 173.7033 76 V 4.8713 8.8898 127.0461 61.0306 34.1799 174.0535 77 A 5.9400 9.8929 129.4259 49.5624 21.5921 174.9138 78 A 5.0361 8.3754 122.7096 49.0319 22.9842 176.7911 79 V 3.5540 8.2731 118.5497 66.1602 31.9278 175.7277 80 D 4.7121 7.3374 116.9948 53.3162 44.5570 173.9074 81 F 5.4356 8.7335 120.6262 55.3417 42.8050 175.1279 82 S 4.3869 8.9646 117.3402 57.9750 63.8504 175.5871 83 G 3.6600 8.7695 106.6113 48.1258 0.0000 176.1362 84 T 3.9584 7.9020 117.3855 66.2325 68.5260 176.4018 85 A 4.0159 8.0190 122.7677 55.4589 18.4491 179.2993 86 E 3.6314 8.2571 117.2437 59.4770 29.3199 179.4459 87 T 3.8747 7.2877 114.9408 66.5071 68.4600 176.7063 88 K 4.3954 8.1722 121.9620 58.9732 31.9470 179.5873 89 I 3.7637 8.0079 120.2802 64.4189 36.9040 177.8724 90 D 4.6457 7.5337 118.2215 55.6557 40.4325 178.1227 91 Q 4.1905 7.8633 118.7957 57.7327 28.8299 177.5430 92 V 4.5625 7.7961 110.3709 60.9415 34.8649 174.4014 93 G 4.2103 8.5576 111.3521 44.4006 0.0000 174.1075 94 E 4.9831 9.5841 126.9325 54.5633 33.1876 172.8795 95 A 4.5775 9.2955 129.8568 50.8060 20.0141 176.5890 96 V 4.6014 9.0323 122.6768 60.8197 35.5983 175.2996 97 S 4.8207 8.6532 120.5678 57.6946 64.1582 175.0159 98 L 3.9126 8.2754 123.2591 58.2509 41.5853 179.4228 99 E 3.8876 8.0285 118.2878 59.0710 29.3748 179.0247 100 Q 3.9185 7.9509 118.0284 58.5810 28.9316 177.9402 101 A 4.0282 7.9619 121.8303 55.6827 18.2191 179.6643 102 I 3.1210 7.0576 116.3279 64.1389 37.0588 177.7913 103 E 4.1784 7.2598 118.6150 58.8046 29.8852 177.6240 104 N 4.6840 8.3937 114.1162 54.1904 40.3351 175.4435 105 N 5.0484 7.9739 117.5719 52.4094 40.7754 173.0059 106 P 4.7554 0.0000 0.0000 64.9945 32.2401 178.1823 107 E 4.0799 8.5335 118.1171 56.5594 30.3694 176.0094 108 G 3.5572 8.0400 107.5824 46.3672 0.0000 173.3054 109 S 4.5587 8.1905 111.1272 57.5834 66.3497 174.2281 110 H 3.9948 8.4574 117.1844 57.1621 25.7729 174.4758 111 V 4.8488 7.2050 116.2276 59.8049 35.1769 176.6190 112 R 4.5472 8.9984 123.7226 54.4871 32.6641 174.4015 113 V 4.5079 8.4241 126.7824 62.5417 32.2671 175.0229 114 I 4.7964 8.8281 128.4445 59.3925 40.8657 176.0357 115 R 4.1793 8.3862 121.5565 56.4710 29.4726 174.7772 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 4.44 0.00 3.99 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 2 K 8.09 4.12 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.44 4.26 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 1.21 0.00 0.00 4 N 8.00 4.30 0.00 2.75 2.72 0.00 0.00 7.20 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 5 P 0.00 4.31 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.51 3.87 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 7 L 8.12 3.95 0.00 1.75 1.82 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.10 4.06 0.00 4.08 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 9 S 8.13 4.12 0.00 4.02 3.87 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 10 L 8.27 3.87 0.00 1.68 1.81 0.87 0.86 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 11 I 7.78 3.67 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.96 0.91 0.00 0.00 12 A 7.83 4.01 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 D 8.36 4.26 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 14 L 8.30 3.90 0.00 1.84 1.94 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.86 3.98 0.00 2.04 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 S 8.39 4.11 0.00 3.86 3.87 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 17 A 7.96 4.12 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 18 A 7.94 4.25 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 19 R 7.94 4.10 0.00 1.84 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 20 S 7.89 4.20 0.00 3.98 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 21 S 8.09 4.42 0.00 4.31 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.56 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 23 G 7.45 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 0.00 0.00 0.00 24 A 8.04 4.57 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 25 V 7.46 3.48 1.61 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 0.64 0.00 0.00 -0.28 0.00 0.00 26 W 7.67 4.94 0.00 3.35 3.24 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 27 G 8.20 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 0.00 0.00 0.00 28 D 8.11 4.33 0.00 3.05 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 29 V 8.83 3.65 2.41 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 1.02 0.00 0.00 1.17 0.00 0.00 30 A 8.24 4.03 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.01 4.15 0.00 2.13 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 0.00 2.36 2.44 0.00 32 R 7.77 4.10 0.00 1.92 2.03 0.00 3.32 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 33 L 7.75 3.79 0.00 1.79 1.68 0.89 0.85 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 34 E 7.89 4.16 0.00 2.15 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 0.00 2.35 2.52 0.00 35 K 7.01 4.30 0.00 1.99 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.67 7.81 36 P 0.00 4.20 0.00 2.15 1.98 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 37 R 8.82 3.43 0.00 1.78 1.92 0.00 3.11 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 38 R 7.95 3.87 0.00 1.90 2.06 0.00 3.02 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 T 7.91 4.17 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 1.22 0.00 0.00 40 H 7.99 4.37 0.00 3.24 3.25 0.00 5.67 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 41 A 8.26 4.27 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 42 E 8.63 4.75 0.00 1.80 1.85 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 2.20 2.29 0.00 43 V 8.72 4.39 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.45 5.63 0.00 2.70 2.98 0.00 0.00 7.62 6.74 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 45 L 8.50 4.10 0.00 1.84 1.74 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.22 3.76 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 0.00 0.00 0.00 47 R 7.87 3.99 0.00 1.90 1.99 0.00 3.23 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 48 I 7.69 3.79 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.74 0.96 0.00 0.00 49 E 8.30 3.94 0.00 1.94 2.06 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 2.42 2.31 0.00 50 R 7.33 3.88 0.00 1.67 1.43 0.00 2.38 0.00 0.00 2.90 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.27 0.00 51 Y 7.46 4.72 0.00 2.97 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 52 A 7.82 4.68 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 53 Q 8.05 4.62 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 54 E 8.65 3.96 0.00 1.99 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 2.56 2.36 0.00 55 D 8.87 4.43 0.00 2.84 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 56 E 7.73 4.70 0.00 1.91 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 2.22 2.27 0.00 57 T 8.40 4.20 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 1.36 0.00 0.00 58 V 8.89 4.30 2.16 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.21 4.79 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 1.15 0.00 0.00 1.12 0.00 0.00 60 V 9.05 4.78 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 1.03 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.76 0.00 2.23 2.23 0.00 3.95 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 62 G 6.44 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 0.00 0.00 0.00 0.00 63 K 9.32 5.06 0.00 1.69 1.55 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.36 7.81 64 V 8.34 4.78 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 1.09 0.00 0.00 0.81 0.00 0.00 65 L 9.73 5.09 0.00 1.62 1.53 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.53 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 67 S 8.17 4.56 0.00 3.97 3.79 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 68 G 9.01 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 0.00 0.00 0.00 69 V 7.90 4.36 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.47 4.85 0.00 1.59 1.51 1.02 0.73 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 71 Q 9.94 4.48 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.27 3.91 0.00 1.75 1.77 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.84 7.81 73 D 8.50 5.42 0.00 2.85 2.56 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 74 V 7.77 4.52 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 0.96 0.00 0.00 75 T 8.33 4.91 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 1.27 0.00 0.00 76 V 8.89 4.87 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 1.17 0.00 0.00 1.02 0.00 0.00 77 A 9.89 5.94 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 78 A 8.38 5.04 0.50 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 0.00 0.00 79 V 8.27 3.55 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 0.70 0.00 0.00 0.88 0.00 0.00 80 D 7.34 4.71 0.00 2.79 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 81 F 8.73 5.44 0.00 2.85 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 82 S 8.96 4.39 0.00 3.95 4.05 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 0.00 0.00 0.00 83 G 8.77 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.90 3.96 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 1.23 0.00 0.00 85 A 8.02 4.02 1.53 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 0.00 0.00 86 E 8.26 3.63 0.00 1.95 1.92 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 2.18 2.05 0.00 87 T 7.29 3.87 4.38 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 1.20 0.00 0.00 88 K 8.17 4.40 0.00 1.92 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 89 I 8.01 3.76 1.80 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.04 0.88 0.00 0.00 90 D 7.53 4.65 0.00 2.57 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 91 Q 7.86 4.19 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 92 V 7.80 4.56 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 0.76 0.00 0.00 0.96 0.00 0.00 93 G 8.56 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 0.00 0.00 0.00 0.00 94 E 9.58 4.98 0.00 2.02 1.74 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 2.17 2.23 0.00 95 A 9.30 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.03 4.60 2.16 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 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.65 4.82 0.00 4.10 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 98 L 8.28 3.91 0.00 1.84 1.58 0.99 1.30 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 99 E 8.03 3.89 0.00 2.05 1.92 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 2.35 2.37 0.00 100 Q 7.95 3.92 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.96 4.03 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 0.00 102 I 7.06 3.12 1.69 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 -0.01 0.65 0.00 0.00 103 E 7.26 4.18 0.00 2.04 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 2.29 2.33 0.00 104 N 8.39 4.68 0.00 2.76 2.89 0.00 0.00 6.82 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 0.00 105 N 7.97 5.05 0.00 2.91 2.99 0.00 0.00 6.83 7.67 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 0.00 106 P 0.00 4.76 0.00 2.32 2.33 0.00 3.90 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 107 E 8.53 4.08 0.00 2.13 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 2.41 2.39 0.00 108 G 8.04 3.56 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 0.00 109 S 8.19 4.56 0.00 3.99 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 0.00 110 H 8.46 3.99 0.00 3.34 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.21 4.85 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 0.46 0.00 0.00 0.86 0.00 0.00 112 R 9.00 4.55 0.00 2.17 1.80 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.42 4.51 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 0.87 0.00 0.00 0.89 0.00 0.00 114 I 8.83 4.80 1.91 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 1.49 1.19 0.99 0.00 0.00 115 R 8.39 4.18 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00