NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.6304 8.1076 122.4898 51.3981 21.3441 175.4675 1 F 5.3619 7.9761 111.3543 55.7060 41.4942 171.9940 2 A 4.5167 9.4614 120.3304 50.3340 23.3147 176.4657 3 V 4.9429 8.3411 119.5652 61.2367 34.5821 174.6378 4 S 4.9507 8.5757 121.7075 57.2370 66.7692 172.3578 5 S 4.8562 7.9783 111.5665 57.7040 65.3609 173.9935 6 E 4.5231 8.8783 121.9591 54.0497 32.8218 174.5378 7 L 3.9865 8.5731 128.9165 55.2520 42.5620 176.6083 *13 A 4.2262 8.2441 128.1296 51.8618 18.7820 174.3138 14 R 4.9107 8.6691 120.9923 54.8522 33.6067 174.1446 15 T 5.1035 8.4761 121.8823 62.1111 71.4211 172.6356 16 Y 4.8836 9.3963 124.9220 56.6016 40.3138 174.5131 17 R 4.9688 8.7816 124.8855 54.7797 32.0688 174.6337 18 V 5.0602 8.7942 127.7083 61.4224 33.0750 174.6940 19 E 4.7215 9.4712 124.9176 55.4775 33.3939 175.5913 20 G 4.0290 9.0364 105.8113 44.6582 0.0000 171.9345 21 Q 4.9817 8.6061 121.5052 54.3105 30.7574 175.5300 22 L 4.4241 9.0321 125.3072 53.2051 43.6845 175.7356 23 F 5.4605 8.1442 120.4914 54.1287 43.1750 175.9378 24 Y 4.2758 9.6819 120.7075 61.4728 38.2128 178.6497 25 G 3.8396 8.5256 104.8463 47.4804 0.0000 174.3142 26 S 4.7925 7.9634 113.7553 58.3293 63.2183 176.3009 27 V 3.6168 7.2283 117.5393 64.9011 31.4054 177.8410 28 E 4.2185 8.0956 115.4604 59.6093 29.6461 178.3988 29 D 4.6723 8.1927 118.6069 56.8637 41.3348 178.1905 30 F 4.2893 8.5941 118.5302 58.9447 38.4289 176.2706 *32 A 4.3150 8.0336 122.6526 51.3490 20.1218 179.3148 33 A 3.9347 7.6678 117.2970 53.7394 18.6041 177.5102 34 F 4.2758 6.9738 114.6255 55.4497 40.7635 175.3885 35 D 4.5737 7.9685 123.7843 52.5665 40.6267 176.1001 36 F 4.6187 8.0411 124.7073 59.1062 39.4448 177.2926 37 R 4.0973 7.8844 119.1752 57.8248 30.1989 175.1353 38 E 3.9456 7.7538 117.8812 55.4029 28.8269 174.2690 39 P 4.3911 0.0000 0.0000 62.7129 31.7983 176.2979 40 L 4.7439 8.2843 123.8713 53.8654 46.1070 177.3114 41 E 4.1567 9.1106 122.8064 59.9437 30.9032 177.4386 42 R 5.1722 7.9088 120.0893 54.6765 33.8447 175.6544 43 V 4.9894 8.8069 123.8277 60.5313 34.5445 174.2017 44 T 4.9663 9.3425 124.4174 61.8916 71.3796 173.2794 45 I 4.9369 8.4076 126.4766 59.8029 39.6388 174.0858 46 D 5.0724 9.5486 128.5611 52.5518 42.8580 176.7581 47 V 4.5867 8.6041 119.6279 61.1133 32.2332 178.2086 48 S 4.0650 8.7752 120.7081 61.9008 63.0370 175.9537 49 R 4.2411 8.0317 117.0484 56.1131 29.7012 178.3028 50 A 5.4046 7.8551 119.9086 51.4518 22.7900 175.2404 51 H 4.8990 9.3622 117.3300 53.9287 31.3375 173.8046 52 I 4.1500 8.1183 125.2653 60.2888 36.9934 175.7597 53 W 4.8359 8.5871 127.9108 57.7076 30.1519 176.1630 54 D 4.9106 7.9220 117.4553 50.5513 42.4139 176.0467 55 I 3.7107 8.5682 120.1619 64.8837 37.0046 178.7188 56 S 4.2133 8.2249 115.2768 61.7844 62.7274 176.9616 57 S 3.9383 8.5560 117.8559 61.5257 62.6053 176.8769 58 V 3.6002 7.4560 120.8428 65.7113 30.9783 177.7886 59 Q 3.8980 7.9305 118.3997 59.1776 29.0026 177.7574 60 A 4.1435 7.7169 120.3009 55.1572 18.6777 178.9197 61 L 4.2845 7.6983 118.5780 58.3563 42.1055 179.9688 62 D 4.4868 8.0473 116.7198 54.5592 40.6012 178.2304 *64 A 3.8816 7.9920 124.3744 52.1489 20.7871 180.1680 65 V 3.5342 7.6998 114.9894 65.8859 31.3900 178.0736 66 L 3.8858 7.9262 120.2494 58.0555 42.0917 179.1638 67 K 3.8520 7.6475 120.3783 59.6836 31.8207 179.8855 *68 F 4.2452 7.6583 120.7896 61.9481 37.9464 181.0649 69 R 4.8888 7.9477 122.1061 59.2198 29.6649 179.7891 70 R 3.9343 8.0865 120.0944 61.4017 29.3213 180.1600 71 E 4.6942 7.7245 117.0762 57.3521 29.8163 176.9712 72 G 4.3959 7.6565 106.3897 44.9957 0.0000 172.4210 73 A 4.6002 8.6633 128.1380 50.3912 20.6452 175.5240 74 E 4.4731 9.1435 121.0891 55.8395 30.8735 175.3651 75 V 5.5103 8.4875 128.7532 61.2219 34.0377 175.3163 76 R 4.7649 8.5131 126.4866 55.2398 33.7872 172.5403 77 I 5.3038 7.9242 116.4455 60.6959 40.0779 175.2993 78 V 3.7055 8.4587 128.0430 63.2494 32.8898 173.7933 79 G 3.6689 8.6585 115.8649 46.1696 0.0000 173.0529 *81 N 4.9553 8.1669 121.3658 53.5304 40.8252 177.0453 82 E 3.9803 8.1368 114.3737 58.9300 30.0520 178.2762 83 A 4.6806 9.2539 124.3499 54.3436 18.5409 179.0344 84 S 4.3131 7.7277 109.7947 58.6451 63.5465 175.1933 85 E 3.8649 7.6940 124.7147 60.0738 29.2825 178.7337 86 T 3.6435 7.6115 108.9833 64.5808 68.4349 176.0034 87 L 3.9571 7.4506 122.5106 57.6666 42.3500 178.6735 88 V 3.5607 8.0808 118.5838 66.3274 31.2716 177.8079 89 D 4.3688 8.0479 117.2382 57.2626 40.6973 178.3993 90 R 4.1005 7.7942 118.4575 59.4910 30.2077 178.2854 91 L 4.1866 8.1972 117.5383 56.8033 41.7775 177.3962 92 A 4.3382 7.7869 124.8336 52.2668 18.7562 176.8291 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 0 A 8.11 4.63 1.50 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 1 F 7.98 5.36 0.00 3.33 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 2 A 9.46 4.52 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 3 V 8.34 4.94 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 0.74 0.00 0.00 1.09 0.00 0.00 4 S 8.58 4.95 0.00 3.83 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 5 S 7.98 4.86 0.00 3.18 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 6 E 8.88 4.52 0.00 1.92 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 0.00 2.15 2.18 0.00 7 L 8.57 3.99 0.00 1.57 1.53 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *13 A 8.24 4.23 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 14 R 8.67 4.91 0.00 1.89 1.83 0.00 3.03 0.00 0.00 2.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.53 0.00 15 T 8.48 5.10 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 1.25 0.00 0.00 16 Y 9.40 4.88 0.00 3.02 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 17 R 8.78 4.97 0.00 1.91 1.80 0.00 3.08 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 18 V 8.79 5.06 2.24 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 1.13 0.00 0.00 1.22 0.00 0.00 19 E 9.47 4.72 0.00 2.06 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 0.00 2.22 2.37 0.00 20 G 9.04 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 0.00 0.00 0.00 21 Q 8.61 4.98 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 22 L 9.03 4.42 0.00 1.43 1.28 0.64 0.37 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 23 F 8.14 5.46 0.00 3.19 2.93 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 24 Y 9.68 4.28 0.00 3.23 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 25 G 8.53 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 26 S 7.96 4.79 0.00 4.29 4.40 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 27 V 7.23 3.62 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 0.72 0.00 0.00 0.85 0.00 0.00 28 E 8.10 4.22 0.00 2.17 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 2.35 2.38 0.00 29 D 8.19 4.67 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 30 F 8.59 4.29 0.00 2.62 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 *32 A 8.03 4.31 1.43 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 33 A 7.67 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 6.97 4.28 0.00 1.87 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 0.00 0.00 0.00 35 D 7.97 4.57 0.00 2.55 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 36 F 8.04 4.62 0.00 3.11 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 37 R 7.88 4.10 0.00 1.87 2.03 0.00 3.23 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 38 E 7.75 3.95 0.00 2.34 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 0.00 2.38 2.33 0.00 39 P 0.00 4.39 0.00 2.10 2.01 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 40 L 8.28 4.74 0.00 1.70 1.53 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 41 E 9.11 4.16 0.00 1.66 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 2.31 1.88 0.00 42 R 7.91 5.17 0.00 1.43 1.76 0.00 3.16 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 43 V 8.81 4.99 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 1.11 0.00 0.00 1.04 0.00 0.00 44 T 9.34 4.97 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 1.26 0.00 0.00 45 I 8.41 4.94 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 1.10 0.00 0.00 46 D 9.55 5.07 0.00 2.71 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 47 V 8.60 4.59 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 0.89 0.00 0.00 0.97 0.00 0.00 48 S 8.78 4.06 0.00 4.05 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 49 R 8.03 4.24 0.00 1.76 1.94 0.00 3.19 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.19 0.00 50 A 7.86 5.40 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 51 H 9.36 4.90 0.00 2.64 1.89 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.12 4.15 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.32 0.80 0.00 0.00 53 W 8.59 4.84 0.00 3.27 3.41 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 0.00 0.00 0.00 0.00 54 D 7.92 4.91 0.00 2.95 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 55 I 8.57 3.71 1.90 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 1.66 1.18 0.93 0.00 0.00 56 S 8.22 4.21 0.00 4.02 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 57 S 8.56 3.94 0.00 4.01 3.69 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 0.00 0.00 0.00 0.00 58 V 7.46 3.60 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 0.94 0.00 0.00 0.99 0.00 0.00 59 Q 7.93 3.90 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 60 A 7.72 4.14 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 61 L 7.70 4.28 0.00 1.72 1.81 1.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.05 4.49 0.00 2.88 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.88 0.96 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 65 V 7.70 3.53 2.24 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 0.95 0.00 0.00 0.93 0.00 0.00 66 L 7.93 3.89 0.00 1.85 1.51 0.91 0.49 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 67 K 7.65 3.85 0.00 0.79 1.10 0.00 0.98 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 0.93 7.81 *68 F 7.66 4.25 0.00 2.27 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 0.00 0.00 0.00 69 R 7.95 4.89 0.00 1.97 1.97 0.00 3.08 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 70 R 8.09 3.93 0.00 1.88 1.87 0.00 3.26 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 71 E 7.72 4.69 0.00 2.26 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 2.57 2.39 0.00 72 G 7.66 4.40 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 0.00 73 A 8.66 4.60 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 74 E 9.14 4.47 0.00 2.05 1.84 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 2.30 2.26 0.00 75 V 8.49 5.51 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 0.74 0.00 0.00 0.96 0.00 0.00 76 R 8.51 4.76 0.00 1.51 1.77 0.00 3.26 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 77 I 7.92 5.30 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 1.23 0.59 0.92 0.00 0.00 78 V 8.46 3.71 2.11 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 1.06 0.00 0.00 0.95 0.00 0.00 79 G 8.66 3.67 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 0.00 0.00 0.00 *81 N 8.17 4.96 0.00 2.85 2.89 0.00 0.00 6.76 7.66 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 82 E 8.14 3.98 0.00 2.08 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 2.33 0.00 83 A 9.25 4.68 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 84 S 7.73 4.31 0.00 3.99 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 85 E 7.69 3.86 0.00 2.07 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 2.25 2.43 0.00 86 T 7.61 3.64 3.29 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 0.27 0.00 0.00 87 L 7.45 3.96 0.00 1.90 1.80 0.95 0.86 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 88 V 8.08 3.56 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 0.96 0.00 0.00 0.93 0.00 0.00 89 D 8.05 4.37 0.00 2.75 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 90 R 7.79 4.10 0.00 2.09 2.21 0.00 3.52 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 91 L 8.20 4.19 0.00 1.65 1.72 0.93 0.90 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 92 A 7.79 4.34 1.28 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.