NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4954 8.2893 120.3257 55.5852 33.4875 174.8295 2 I 4.4355 7.8702 111.4685 59.1627 39.1916 175.5244 3 G 3.7504 8.5411 110.8004 48.4188 0.0000 177.1838 4 Q 4.0352 8.0409 119.2245 58.9877 28.5049 178.8279 5 R 3.7720 7.9687 120.2350 58.8936 30.1447 178.7943 6 I 3.8196 7.7799 119.1905 64.3674 37.1854 178.1487 7 K 3.9478 8.1636 120.3251 59.5712 32.0348 178.5639 8 Q 3.8629 7.9901 119.7674 59.4996 29.0116 177.9023 9 Y 4.3844 8.0238 117.8105 60.8237 37.8073 178.2912 10 R 4.1346 8.3198 120.0876 59.3021 30.2154 178.6784 11 K 4.0433 8.3105 118.3794 59.3536 31.7663 179.1241 12 E 4.0664 8.1485 118.0659 58.4440 29.4516 178.3487 13 K 4.1082 7.3581 115.0560 55.7003 32.3709 177.4229 14 G 3.8128 7.5893 107.6100 45.7463 0.0000 172.7186 15 Y 4.8481 7.4776 117.6170 56.3409 39.0126 176.6767 16 S 4.4968 8.5265 119.8709 57.6429 65.4978 175.0067 17 L 3.9806 8.3916 122.9505 58.4838 41.7741 178.9894 18 S 4.1464 8.0494 114.6049 61.5256 62.7374 176.1250 19 E 3.8420 8.3296 122.0088 59.0498 29.2999 178.4273 20 L 3.7825 8.2465 120.5017 58.2448 42.0867 178.7706 21 A 4.0092 8.0193 120.5403 55.1366 17.8620 179.2841 22 E 3.8335 8.1744 117.6881 59.4493 29.5653 179.2143 23 K 3.9354 7.9617 117.2072 59.3294 32.1834 178.8361 24 A 4.1757 8.1666 119.6772 52.3750 18.7466 177.2729 25 G 3.7362 7.7864 103.7486 47.1306 0.0000 173.8886 26 V 4.5631 7.6948 110.6423 58.3437 35.1895 176.5405 27 A 4.2109 8.4229 123.9141 51.9090 19.8556 178.9479 28 K 3.9966 8.7448 125.0550 59.5706 32.4522 179.4658 29 S 4.1581 8.0637 114.2619 61.3737 63.0790 175.7652 30 Y 4.0976 8.0002 122.7630 60.3207 38.5968 177.2616 31 L 3.9762 8.4546 121.7389 58.3135 42.2550 178.7073 32 S 4.1131 8.3690 113.4887 61.6403 62.2383 176.4183 33 S 4.1346 8.0183 116.6469 61.3081 62.5647 176.6591 34 I 3.5219 7.4343 123.4063 64.1164 36.6670 178.0537 35 E 4.0913 8.1875 118.3891 59.6997 29.3432 178.4133 36 R 4.1723 7.9492 114.2122 56.0098 30.1827 175.9094 37 N 4.2047 7.9705 114.6261 54.6277 36.3289 175.2739 38 L 4.3215 8.0961 118.8355 55.7387 43.1862 177.3459 39 Q 4.3444 7.7738 119.6813 54.9225 29.5498 175.0422 40 T 4.3441 8.4279 114.9486 62.1224 69.7312 175.0105 41 N 4.9438 7.9622 119.4868 49.7665 37.1560 171.7680 42 P 4.0934 0.0000 0.0000 63.5254 32.4621 178.0107 43 S 4.5444 8.9652 116.5510 58.0122 65.2536 175.3493 44 I 3.8588 8.2693 121.3147 64.0827 37.7169 177.7997 45 Q 4.0376 8.1501 118.8323 58.8701 28.6299 178.3168 46 F 4.1916 8.3523 121.3084 61.3850 39.4761 177.2636 47 L 3.9534 8.2078 118.3971 57.6254 41.4432 179.3642 48 E 3.9755 8.5814 119.1411 59.2760 29.1054 179.5200 49 K 3.9220 8.0066 118.5390 59.4154 32.0531 179.6870 50 V 3.4288 7.4965 118.5077 65.6901 31.4012 177.6293 51 S 4.0519 8.3198 113.2848 61.6973 61.9125 176.2097 52 A 3.9809 7.5818 121.3512 55.2436 18.1810 179.4934 53 V 3.7375 7.3359 115.5176 65.5648 31.7383 177.3581 54 L 4.3890 8.0121 115.8756 53.5140 42.3871 175.7167 55 D 4.3623 7.9038 117.1951 55.3648 40.1034 173.3340 56 V 4.3664 7.2248 108.4951 58.5782 35.9266 176.5849 57 S 4.4871 8.1626 117.3280 57.5419 65.5132 175.3651 58 V 3.5705 8.2438 120.9810 66.3448 30.8799 177.1933 59 H 4.0895 8.2216 116.4909 59.7037 29.9920 176.7363 60 T 4.0431 8.0926 117.3081 66.8001 68.0935 176.5213 61 L 4.1601 7.8184 119.4031 57.6471 41.7715 178.8667 62 L 4.5204 7.8139 115.9812 54.2004 41.9468 176.3511 63 D 4.3321 7.4220 119.2957 54.4520 40.8530 175.5236 64 E 4.4496 8.6146 126.1612 56.4211 30.3201 178.2849 65 K 3.9802 7.9356 117.8710 59.1878 32.5304 177.5952 66 H 4.7047 7.8166 115.3705 56.2119 29.5724 176.7680 67 E 4.1203 7.9167 119.2592 58.6173 29.4069 177.5016 68 T 4.5059 6.9579 105.6632 60.9460 69.1980 174.0034 *74 L 4.0120 7.8092 120.2430 55.7169 43.0664 177.4435 75 D 4.8036 8.3141 121.9561 52.4009 42.5246 177.4589 76 S 4.1306 8.5876 114.5917 61.7777 62.7936 176.3866 77 E 3.8535 8.3100 121.2817 59.4182 29.4341 178.9759 78 W 4.0897 8.8320 118.6003 59.4720 29.0344 178.5090 79 E 4.0719 8.6061 119.1434 59.1765 28.7677 179.1943 80 K 3.9667 8.1038 119.7523 59.3265 32.1584 178.7686 81 L 3.8840 7.7341 118.9741 57.7365 41.4186 179.5482 82 V 3.5254 7.9302 118.0220 66.1972 31.4900 178.3342 83 R 3.8735 7.8876 117.5938 59.2458 29.6670 178.6236 84 D 4.2883 8.5833 118.3312 57.3993 41.2895 178.4977 85 A 4.0233 8.0657 121.1420 55.4610 18.1337 179.3481 86 M 3.9569 7.9070 116.2859 58.5477 32.2026 178.3390 87 T 4.3242 7.5154 106.4472 62.1761 69.5746 176.4897 88 S 4.2075 7.6107 117.2657 59.8614 63.1343 175.4281 89 G 3.9264 8.2129 109.4260 45.0529 0.0000 173.6157 90 V 3.9282 7.4309 119.9120 62.4313 32.3809 176.3716 91 S 4.5899 8.9971 121.9125 57.4997 65.4881 175.7281 92 K 4.0545 8.4534 122.0410 59.4310 31.8474 179.4139 93 K 3.9270 8.0955 119.4303 59.7032 32.0650 178.5195 94 Q 4.2918 8.2004 119.5243 58.5472 28.6257 178.8100 95 F 4.1269 8.4550 121.5173 61.3180 39.4032 177.3091 96 R 4.0390 8.5014 117.9852 59.2830 29.6003 178.8835 97 E 3.9778 8.1703 118.3689 59.2974 29.4157 178.9996 98 F 4.2863 8.4098 120.8658 61.3933 39.3983 177.1040 99 L 3.6276 8.0496 118.7949 57.8667 41.3624 179.3156 100 D 4.3623 8.1969 118.7699 57.3706 40.7481 178.2051 101 Y 4.1578 8.4039 120.4403 60.8798 38.7626 178.0829 102 Q 3.7252 8.1424 119.2775 58.8961 28.7522 179.0971 103 K 3.8770 7.9736 119.3928 59.0130 31.8186 179.2606 104 W 4.0334 8.0985 127.7591 60.5172 31.0948 177.7667 105 R 3.3385 8.0984 118.3232 59.2038 29.2416 179.2620 106 K 3.9025 7.8189 117.2341 59.1724 32.1012 179.1197 107 S 4.1927 7.6390 112.8556 60.0566 63.1993 174.2617 108 Q 3.9063 7.0912 125.9477 55.9751 28.5109 175.3279 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 M 8.29 4.50 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 I 7.87 4.44 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 1.01 0.00 0.00 3 G 8.54 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 4 Q 8.04 4.04 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 5 R 7.97 3.77 0.00 2.15 2.13 0.00 3.22 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 6 I 7.78 3.82 2.12 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.91 1.06 0.00 0.00 7 K 8.16 3.95 0.00 1.94 1.93 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 8 Q 7.99 3.86 0.00 2.12 1.69 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 2.10 2.13 0.00 9 Y 8.02 4.38 0.00 3.13 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 10 R 8.32 4.13 0.00 2.03 2.23 0.00 3.27 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.97 0.00 11 K 8.31 4.04 0.00 1.96 1.83 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 12 E 8.15 4.07 0.00 2.18 2.04 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 2.61 2.56 0.00 13 K 7.36 4.11 0.00 1.17 0.74 0.00 1.59 0.00 0.00 1.56 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.45 7.81 14 G 7.59 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 0.00 0.00 0.00 15 Y 7.48 4.85 0.00 3.00 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 16 S 8.53 4.50 0.00 4.08 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 17 L 8.39 3.98 0.00 1.77 1.74 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.05 4.15 0.00 3.91 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 19 E 8.33 3.84 0.00 2.03 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 1.96 2.18 0.00 20 L 8.25 3.78 0.00 1.86 1.85 0.94 1.27 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 21 A 8.02 4.01 1.49 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 0.00 0.00 0.00 22 E 8.17 3.83 0.00 2.01 2.14 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 2.28 2.46 0.00 23 K 7.96 3.94 0.00 1.54 1.71 0.00 0.90 0.00 0.00 1.36 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.34 7.81 24 A 8.17 4.18 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 25 G 7.79 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 0.00 0.00 0.00 26 V 7.69 4.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.13 0.00 0.00 27 A 8.42 4.21 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 28 K 8.74 4.00 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.54 7.81 29 S 8.06 4.16 0.00 4.12 4.14 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 30 Y 8.00 4.10 0.00 2.96 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 31 L 8.45 3.98 0.00 2.02 1.93 1.16 0.86 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 32 S 8.37 4.11 0.00 3.97 4.04 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 33 S 8.02 4.13 0.00 4.07 4.09 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 0.00 0.00 0.00 34 I 7.43 3.52 1.77 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.80 0.00 0.00 35 E 8.19 4.09 0.00 1.94 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 2.40 2.51 0.00 36 R 7.95 4.17 0.00 1.92 1.95 0.00 3.29 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 37 N 7.97 4.20 0.00 2.84 2.90 0.00 0.00 6.83 8.65 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 38 L 8.10 4.32 0.00 1.66 1.68 0.91 0.67 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 39 Q 7.77 4.34 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.95 0.00 0.00 0.00 0.00 0.00 2.00 2.23 0.00 40 T 8.43 4.34 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 1.19 0.00 0.00 41 N 7.96 4.94 0.00 2.83 2.81 0.00 0.00 6.91 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 42 P 0.00 4.09 0.00 2.22 1.63 0.00 3.82 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 2.01 1.91 0.00 43 S 8.97 4.54 0.00 4.16 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 44 I 8.27 3.86 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.96 0.00 0.00 45 Q 8.15 4.04 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 46 F 8.35 4.19 0.00 3.42 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 47 L 8.21 3.95 0.00 1.97 1.75 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.58 3.98 0.00 2.20 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 2.34 2.52 0.00 49 K 8.01 3.92 0.00 1.82 1.98 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.60 7.81 50 V 7.50 3.43 1.71 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 0.97 0.00 0.00 0.30 0.00 0.00 51 S 8.32 4.05 0.00 3.86 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 52 A 7.58 3.98 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 53 V 7.34 3.74 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 0.90 0.00 0.00 0.90 0.00 0.00 54 L 8.01 4.39 0.00 1.63 1.71 1.04 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.90 4.36 0.00 2.74 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 56 V 7.22 4.37 1.69 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 -0.07 0.00 0.00 0.57 0.00 0.00 57 S 8.16 4.49 0.00 4.07 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 58 V 8.24 3.57 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 1.05 0.00 0.00 0.94 0.00 0.00 59 H 8.22 4.09 0.00 3.19 3.37 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.09 4.04 4.43 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 1.14 0.00 0.00 61 L 7.82 4.16 0.00 1.80 1.81 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.81 4.52 0.00 1.62 1.71 0.95 0.95 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 63 D 7.42 4.33 0.00 2.73 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 64 E 8.61 4.45 0.00 2.01 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 2.53 2.22 0.00 65 K 7.94 3.98 0.00 1.82 1.85 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 0.96 7.81 66 H 7.82 4.70 0.00 3.22 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.92 4.12 0.00 1.93 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 2.46 2.39 0.00 68 T 6.96 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 1.20 0.00 0.00 *74 L 7.81 4.01 0.00 1.75 1.84 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.31 4.80 0.00 3.02 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 76 S 8.59 4.13 0.00 3.91 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 77 E 8.31 3.85 0.00 2.01 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 1.98 2.25 0.00 78 W 8.83 4.09 0.00 3.65 3.27 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 0.00 79 E 8.61 4.07 0.00 2.17 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 2.39 2.59 0.00 80 K 8.10 3.97 0.00 1.83 1.87 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 81 L 7.73 3.88 0.00 1.92 1.62 -0.13 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.93 3.53 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 1.09 0.00 0.00 0.99 0.00 0.00 83 R 7.89 3.87 0.00 2.06 1.94 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 84 D 8.58 4.29 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 85 A 8.07 4.02 1.14 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 0.00 0.00 86 M 7.91 3.96 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 87 T 7.52 4.32 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 1.19 0.00 0.00 88 S 7.61 4.21 0.00 4.05 4.17 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 89 G 8.21 3.93 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 0.00 0.00 0.00 90 V 7.43 3.93 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 0.88 0.00 0.00 0.91 0.00 0.00 91 S 9.00 4.59 0.00 4.10 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 92 K 8.45 4.05 0.00 1.85 1.94 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.49 7.81 93 K 8.10 3.93 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.56 7.81 94 Q 8.20 4.29 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 95 F 8.45 4.13 0.00 3.20 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 96 R 8.50 4.04 0.00 2.15 2.01 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 97 E 8.17 3.98 0.00 2.32 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 2.46 0.00 98 F 8.41 4.29 0.00 2.96 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 99 L 8.05 3.63 0.00 1.86 1.64 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.20 4.36 0.00 3.04 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 0.00 101 Y 8.40 4.16 0.00 3.05 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 0.00 102 Q 8.14 3.73 0.00 1.67 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.72 1.42 0.00 103 K 7.97 3.88 0.00 1.95 1.85 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.55 7.81 104 W 8.10 4.03 0.00 3.18 3.32 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 0.00 105 R 8.10 3.34 0.00 1.60 1.66 0.00 2.87 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.26 0.00 106 K 7.82 3.90 0.00 1.79 1.78 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 107 S 7.64 4.19 0.00 3.96 4.04 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 0.00 108 Q 7.09 3.91 0.00 1.66 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.58 0.00 0.00 0.00 0.00 0.00 1.31 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.