NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2781 8.4444 121.4698 56.0223 30.6455 174.7498 3 S 4.3821 8.4293 120.1472 54.8399 65.2885 170.9825 4 N 4.8038 9.3384 124.7949 50.9096 41.0416 173.9543 5 L 3.9280 8.6453 118.3378 59.1215 41.9134 179.3129 6 T 3.9998 7.9886 115.2383 66.4289 68.6580 176.9657 7 T 3.9029 8.4446 111.8532 64.6409 68.7512 176.6149 8 A 3.9535 8.0849 123.4736 54.9040 18.4161 179.5195 9 A 4.0019 8.3548 119.6267 55.3188 18.2988 180.1076 10 S 4.1277 8.1328 113.8654 61.8481 62.8307 177.3148 11 V 3.6262 7.7224 114.7046 64.2150 31.3159 178.7640 12 I 3.6765 7.6516 119.0462 64.2934 36.9601 178.1755 13 A 3.9988 8.4154 121.8060 55.1345 17.9074 179.4208 14 A 3.9220 8.2675 119.1146 55.4215 18.4206 179.7839 15 A 3.9666 7.8174 118.8587 55.3273 18.4398 179.9194 16 L 3.9823 8.1525 117.3420 57.5774 41.6610 179.5769 17 A 3.9902 8.1940 120.9239 55.3864 18.1738 180.0730 18 V 3.8405 7.4079 109.3384 63.9511 31.9041 178.9610 19 G 3.7086 8.4679 106.0178 47.9814 0.0000 175.8893 20 I 3.8554 7.8950 123.3636 63.6791 36.9837 178.7460 21 G 3.7090 7.8717 104.7859 46.7855 0.0000 174.7407 22 S 4.6380 7.6663 116.8504 58.5178 63.6209 176.2709 23 I 3.7757 7.8903 124.9803 64.4832 36.9066 178.3367 24 G 3.5793 7.9343 105.7629 47.5727 0.0000 173.8145 25 P 4.5050 0.0000 0.0000 64.8109 31.4410 179.0850 26 G 3.5575 8.1739 104.8984 47.7089 0.0000 175.8511 27 L 4.1117 7.9557 121.8812 57.4467 41.6846 179.8077 28 G 3.6737 8.5023 106.0719 48.0087 0.0000 175.7264 29 Q 4.1449 8.4567 120.7068 58.6141 28.6550 179.1174 30 G 3.5632 8.0081 106.3964 47.6617 0.0000 175.5774 31 Q 3.9327 8.1731 121.7884 58.9559 29.1295 178.3226 32 A 3.9700 8.1524 121.5725 55.1405 18.4415 179.5351 33 A 4.0837 8.3790 119.6649 54.9646 18.4991 180.1451 34 G 3.5452 8.2797 104.5548 48.2280 0.0000 176.0900 35 Q 4.0601 8.2075 120.4776 58.1417 28.6184 178.6845 36 A 3.9577 8.0030 122.0659 55.4480 18.5468 180.2260 37 V 3.6231 7.9530 110.7846 64.1184 31.5422 178.5321 38 E 4.0358 8.2075 119.4453 59.2458 29.4137 179.1346 39 G 3.6305 8.3793 106.0002 47.7295 0.0000 175.8252 40 I 3.7017 8.0025 121.9609 64.1640 36.9093 178.2882 41 A 4.0696 7.8208 120.5434 55.2193 18.2386 179.3841 42 R 4.1379 7.7792 116.4148 58.4177 31.6915 176.9023 43 Q 4.5463 8.2017 119.5972 53.5314 29.8268 172.6977 44 P 4.5872 0.0000 0.0000 64.3878 31.9990 178.6698 45 E 3.9753 8.2523 116.1372 58.6647 29.6059 177.7952 46 A 4.5520 8.2740 120.4444 51.9289 18.9996 178.2753 47 E 3.9544 8.0368 122.0507 59.8851 29.6562 179.1867 48 G 3.6760 8.0820 105.2649 47.9763 0.0000 175.6049 49 K 4.0220 7.9829 120.7591 59.0692 32.0415 179.4807 50 I 3.7196 8.0032 120.2802 64.3092 37.0423 178.4400 51 R 3.9727 8.5280 120.2166 59.1773 29.8991 178.7339 52 G 3.6232 8.2352 105.5296 48.3076 0.0000 175.7819 53 T 3.9097 7.8398 118.9745 65.9229 68.4347 176.5022 54 L 3.9379 8.1540 122.4162 58.0454 42.0871 178.8549 55 L 3.9226 8.0741 120.2552 57.9652 41.9261 178.3634 56 L 4.0319 7.9806 120.3209 58.6576 42.0955 179.2816 57 S 4.1857 8.2013 114.7977 61.6280 62.5214 176.6963 58 L 4.0445 8.4465 120.8913 57.5600 41.3656 179.2143 59 A 4.1240 7.7069 119.6537 55.2119 18.4565 179.2902 60 F 4.1378 7.9175 115.0012 60.8389 39.1457 178.4768 61 M 4.2830 8.0288 116.5633 55.6775 31.9309 178.2784 *63 A 3.9761 8.0405 124.2820 52.0777 20.5641 179.8717 64 L 3.6713 7.3546 115.6978 58.2807 41.3096 179.8943 65 T 3.7683 7.6189 115.0059 66.3787 68.5626 176.9200 66 I 3.7770 7.5093 121.3405 64.4404 37.0774 177.7957 67 Y 4.5632 7.5453 117.7868 61.0344 37.6148 178.8291 68 G 3.6770 7.7000 106.3825 47.6797 0.0000 175.3907 69 L 3.9681 8.0213 123.0062 57.8646 42.0329 179.2196 70 V 3.6088 8.3244 118.4717 66.0295 31.5150 178.0619 71 V 3.5651 7.9611 117.6691 66.0077 31.4975 177.6716 72 A 4.0306 8.2262 120.5491 55.4132 18.2313 179.6882 73 L 4.2078 8.4785 117.8174 57.7949 41.6187 179.9031 74 V 3.6744 8.1469 118.6027 66.0421 31.2795 178.1844 75 L 4.0226 7.9388 117.5422 57.1165 41.4518 178.6127 76 L 4.2024 7.5003 117.3146 55.3072 42.3430 177.2198 77 F 4.8297 8.6339 114.1756 57.0578 41.1851 174.9422 78 A 4.7288 8.1995 124.0231 50.8683 18.9921 176.3079 79 N 4.3999 8.0646 120.1766 53.4767 39.8143 172.9730 80 P 4.2258 0.0000 0.0000 64.2870 32.0322 176.6996 81 F 4.9864 7.7728 116.0122 58.4052 41.0453 175.6245 82 V 4.0882 7.6313 116.5817 61.5141 32.3406 175.2537 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 2 E 8.44 4.28 0.00 1.95 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 2.19 2.31 0.00 3 S 8.43 4.38 0.00 3.88 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 4 N 9.34 4.80 0.00 2.89 2.90 0.00 0.00 6.17 6.68 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 5 L 8.65 3.93 0.00 1.76 1.70 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.99 4.00 4.37 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 1.31 0.00 0.00 7 T 8.44 3.90 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 1.22 0.00 0.00 8 A 8.08 3.95 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 9 A 8.35 4.00 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 10 S 8.13 4.13 0.00 4.05 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 11 V 7.72 3.63 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 1.02 0.00 0.00 0.99 0.00 0.00 12 I 7.65 3.68 1.87 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 1.59 1.20 0.91 0.00 0.00 13 A 8.42 4.00 1.41 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 0.00 0.00 14 A 8.27 3.92 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 A 7.82 3.97 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 16 L 8.15 3.98 0.00 1.87 1.74 0.93 0.62 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 17 A 8.19 3.99 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 18 V 7.41 3.84 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 0.77 0.00 0.00 1.06 0.00 0.00 19 G 8.47 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.90 3.86 2.04 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 1.46 0.63 0.93 0.00 0.00 21 G 7.87 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.67 4.64 0.00 4.01 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 0.00 23 I 7.89 3.78 1.95 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 1.46 0.97 0.92 0.00 0.00 24 G 7.93 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.16 2.29 0.00 3.56 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 2.28 2.15 0.00 26 G 8.17 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 27 L 7.96 4.11 0.00 1.87 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.50 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 29 Q 8.46 4.14 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 30 G 8.01 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 31 Q 8.17 3.93 0.00 2.19 2.29 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 2.35 2.42 0.00 32 A 8.15 3.97 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 33 A 8.38 4.08 1.39 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 0.00 0.00 0.00 34 G 8.28 3.55 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 0.00 0.00 0.00 35 Q 8.21 4.06 0.00 2.21 2.16 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 2.60 2.51 0.00 36 A 8.00 3.96 1.39 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 0.00 0.00 0.00 37 V 7.95 3.62 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 0.81 0.00 0.00 1.02 0.00 0.00 38 E 8.21 4.04 0.00 2.15 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 0.00 2.30 2.32 0.00 39 G 8.38 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.00 3.70 1.99 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 1.45 1.21 0.91 0.00 0.00 41 A 7.82 4.07 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 42 R 7.78 4.14 0.00 1.83 2.17 0.00 3.24 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 43 Q 8.20 4.55 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 44 P 0.00 4.59 0.00 2.21 2.09 0.00 3.93 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 E 8.25 3.98 0.00 1.95 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 2.32 2.31 0.00 46 A 8.27 4.55 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 47 E 8.04 3.95 0.00 2.11 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 2.33 0.00 48 G 8.08 3.68 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 0.00 0.00 0.00 49 K 7.98 4.02 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 50 I 8.00 3.72 2.06 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 1.40 0.68 0.91 0.00 0.00 51 R 8.53 3.97 0.00 1.97 1.93 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 52 G 8.24 3.62 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 0.00 0.00 0.00 53 T 7.84 3.91 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 1.20 0.00 0.00 54 L 8.15 3.94 0.00 1.94 1.83 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.07 3.92 0.00 1.89 1.85 0.93 0.43 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 56 L 7.98 4.03 0.00 1.87 1.92 1.14 0.77 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 57 S 8.20 4.19 0.00 4.06 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 58 L 8.45 4.04 0.00 1.73 1.75 0.93 0.82 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 59 A 7.71 4.12 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 60 F 7.92 4.14 0.00 3.07 3.12 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 0.00 0.00 0.00 61 M 8.03 4.28 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 *63 A 8.04 3.98 1.13 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 64 L 7.35 3.67 0.00 1.73 1.74 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.62 3.77 4.18 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 1.20 0.00 0.00 66 I 7.51 3.78 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.43 0.89 0.00 0.00 67 Y 7.55 4.56 0.00 3.17 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 68 G 7.70 3.68 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 0.00 0.00 0.00 69 L 8.02 3.97 0.00 1.77 1.84 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.32 3.61 2.32 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 1.05 0.00 0.00 1.05 0.00 0.00 71 V 7.96 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 72 A 8.23 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.21 0.00 1.76 1.90 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.15 3.67 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 1.10 0.00 0.00 0.97 0.00 0.00 75 L 7.94 4.02 0.00 1.84 1.70 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 76 L 7.50 4.20 0.00 1.55 0.87 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.63 4.83 0.00 3.09 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 78 A 8.20 4.73 1.22 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 0.00 0.00 79 N 8.06 4.40 0.00 2.76 2.70 0.00 0.00 7.30 7.69 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 80 P 0.00 4.23 0.00 1.19 1.75 0.00 3.47 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.41 0.00 81 F 7.77 4.99 0.00 3.07 3.02 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 0.00 0.00 0.00 82 V 7.63 4.09 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 0.81 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.