NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.5303 8.2829 122.8209 58.1040 41.5417 177.7276 4 K 4.0278 8.1777 125.0683 58.5501 31.2255 179.1545 5 K 4.0529 8.3883 119.4873 59.9090 32.5714 178.4587 6 V 3.5569 7.6055 117.5283 65.4801 31.6012 177.7562 7 A 3.9984 7.6719 122.3517 55.4163 18.2003 180.3780 8 K 3.9449 8.0143 122.2758 60.1348 31.7382 181.4576 9 E 4.2138 7.8875 119.8641 59.3182 29.3107 179.4663 10 T 4.0149 7.8570 114.9393 65.5690 68.5427 176.9397 11 A 3.9942 7.8166 122.5665 55.1242 18.7507 179.3205 12 I 3.7308 7.7137 118.2915 65.2520 37.1594 178.7028 13 T 4.0010 7.6924 115.9566 66.4713 68.3002 177.1227 14 L 4.1522 7.9767 120.9574 57.4097 41.5714 179.2703 15 Q 3.9625 8.6298 120.1452 59.4661 29.1544 178.4891 16 S 4.1884 7.9607 113.6656 61.1305 62.3587 175.5409 17 Y 4.0694 8.0705 122.6408 60.7054 38.5453 177.6259 18 L 3.9853 8.4336 120.2967 58.0235 41.6499 179.6543 19 T 3.8503 7.9495 115.8563 66.7854 68.3755 176.0109 20 Y 3.8943 7.7955 121.3432 60.6147 38.7623 177.8636 21 Q 3.5025 8.0662 120.3604 58.5836 29.0869 177.7984 22 A 3.8316 8.1768 122.2849 55.2344 18.4060 179.4021 23 V 3.4912 7.5225 116.5166 66.4991 31.4466 178.4410 24 R 3.7813 7.3038 116.7552 59.0308 29.9506 178.3215 25 L 3.8527 7.5932 119.9731 58.7405 42.0015 178.6809 26 I 3.6181 7.6495 119.0303 65.0643 36.9173 178.1712 27 S 4.1515 8.6387 113.7348 61.3587 62.4190 176.3739 28 Q 4.1431 8.1405 121.0165 58.8131 28.4452 178.1938 29 Q 4.2839 8.3642 120.1704 58.3974 28.4927 177.6810 30 L 4.8947 8.1203 124.0570 54.8060 42.1032 184.2898 31 S 4.5252 8.1029 120.5845 61.0446 64.1173 179.2880 32 E 4.1868 8.1158 115.7486 59.3254 29.8601 180.4418 33 T 4.0648 7.4414 115.9476 66.0479 69.1149 175.9181 34 N 5.0940 7.6747 117.7544 51.3221 39.5180 173.7346 35 P 4.4275 0.0000 0.0000 65.7954 31.3856 178.0335 36 G 3.8559 8.2880 105.7282 48.7336 0.0000 175.8909 37 Q 4.2598 8.8806 123.4346 59.9508 28.4316 179.9830 38 A 4.1964 7.4955 122.9333 55.0702 18.4462 179.7426 39 I 3.7240 7.4247 117.6842 64.4709 37.1198 178.2060 40 W 4.2677 8.1806 129.0292 60.6004 30.3196 177.3014 41 L 3.7249 8.0017 119.1993 58.6016 41.4021 179.5480 42 G 3.9310 7.7853 104.8928 47.7693 0.0000 175.3527 43 E 3.8248 7.8739 122.3311 58.5926 29.7578 178.4870 44 F 3.9248 7.3757 123.3114 61.6339 39.0681 178.0753 45 S 4.4818 8.3706 120.6378 63.8409 62.1714 179.6375 46 K 4.2805 8.2176 126.6957 59.7634 31.6440 180.5846 47 R 3.9608 6.9954 119.3161 58.9251 30.2982 175.9803 48 H 4.9089 7.2426 113.5530 52.8752 30.9004 172.8147 49 P 4.5524 0.0000 0.0000 62.8589 31.7717 175.7352 50 I 3.9988 8.0626 118.7164 61.7093 39.7128 177.7173 51 Q 3.9999 8.2360 119.5545 57.7282 28.7362 182.4342 52 E 4.4962 7.6518 115.7111 58.2639 27.9389 182.3947 53 S 3.5284 6.3583 113.1450 59.8238 65.6332 175.3027 54 D 4.5151 8.6853 121.6185 58.2669 41.2614 179.4598 55 L 4.0111 7.6718 122.6787 59.8131 40.5660 180.2851 56 Y 4.3912 8.1312 118.7152 60.8639 38.7668 177.9650 57 L 4.1766 7.8379 117.8068 58.0335 41.9376 178.9246 58 E 4.2057 8.3830 117.6637 58.9283 30.4612 178.8228 59 A 4.2602 7.5546 120.2485 51.5496 16.4353 176.3700 *62 L 4.2716 8.0227 124.2936 54.8935 43.8786 178.7477 63 E 4.4200 7.7940 110.8028 55.8397 30.6512 177.6649 64 N 4.4605 7.1390 110.4059 52.7126 40.6190 174.4991 65 K 3.9671 7.7273 122.8461 58.5760 32.5007 178.0889 66 E 3.8627 7.9692 119.3370 59.3146 29.6318 178.5815 67 L 4.0216 7.8596 120.3622 57.6933 41.9779 178.9934 68 V 3.5808 7.4876 118.4897 66.1610 31.5372 178.0807 69 L 3.9747 7.8288 118.3150 57.6127 41.2729 179.6540 70 R 3.8732 8.0352 118.9087 59.2891 29.9643 178.3257 71 I 3.6979 8.0280 119.9777 64.6825 36.7096 178.0918 72 L 3.9868 8.1417 119.6120 58.3519 41.3201 180.0142 73 T 3.7450 7.8964 115.3352 66.5641 68.0080 176.5600 74 V 3.9239 8.1337 118.9400 64.0644 31.7122 177.5652 75 R 4.1715 8.4327 118.1027 59.7317 29.6005 178.7881 76 E 4.1476 7.7806 118.8338 60.2823 29.8073 183.3925 77 N 4.4842 7.9027 115.9874 56.5969 38.4395 177.1460 78 L 3.9427 7.3000 117.6659 58.0039 41.9465 179.4892 79 A 4.2081 8.0973 120.6786 54.8284 18.2776 179.0047 80 E 4.5612 7.8608 115.8000 59.3369 31.0150 183.0890 81 G 4.2195 8.1235 103.7453 45.0140 0.0000 173.8492 82 V 4.4977 7.3539 118.7296 64.1065 36.5704 176.9807 83 L 4.0408 8.1476 121.8292 58.3155 41.6500 179.3071 84 E 4.1519 8.2374 115.0621 58.2517 29.8976 180.6089 *85 F 4.4996 7.6697 113.7800 58.4312 38.6376 182.6013 86 L 4.2780 7.6878 119.1173 57.9729 41.8947 176.7220 87 P 4.3526 0.0000 0.0000 66.3610 31.4476 179.2045 88 E 4.3316 8.0275 111.2630 56.5108 29.3864 180.4729 *90 V 4.0172 8.0849 123.8279 64.4529 32.9504 178.1020 91 L 4.0311 7.6664 122.7048 59.5702 40.5794 181.1175 92 S 4.3830 8.0533 116.2196 62.0741 62.5328 177.0051 93 Q 4.1167 8.0417 122.6448 60.3905 27.7236 179.4450 94 I 4.0376 8.2576 120.4755 64.6170 36.9812 179.1707 95 K 4.2691 8.1051 115.2303 58.7555 31.6097 177.9307 96 Q 3.9372 8.5479 120.3255 59.6842 28.8918 179.3122 97 S 4.0836 7.7397 112.5736 61.5557 62.7448 174.7982 98 N 4.4368 9.6879 120.7106 53.9742 37.4630 179.2887 99 G 3.7441 8.0805 106.4202 47.3174 0.0000 176.1238 100 N 4.5071 7.9740 118.3620 55.1825 38.4466 177.2303 101 H 4.5076 8.1409 117.0756 58.0907 29.2487 177.2198 102 R 4.0623 8.0844 119.5449 59.9415 29.9025 179.0823 103 R 3.9176 7.8171 116.3040 59.0458 29.8334 178.8074 104 S 4.0991 7.8234 112.8434 60.5327 61.8632 174.3313 105 L 4.2455 7.8946 119.9819 56.5319 43.3966 177.7263 106 L 4.0105 7.9472 117.4651 58.1482 41.7026 179.3496 107 E 4.1692 7.9250 118.3158 61.2941 29.6458 179.4877 108 R 3.5307 7.4042 116.2708 59.5103 30.2830 178.6322 109 L 4.2245 7.7554 122.2813 54.7215 40.7824 179.4215 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 3 F 8.28 4.53 0.00 3.17 3.09 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 4 K 8.18 4.03 0.00 1.88 1.81 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.12 7.81 5 K 8.39 4.05 0.00 1.82 1.84 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.49 7.81 6 V 7.61 3.56 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.83 0.00 0.00 7 A 7.67 4.00 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 8 K 8.01 3.94 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 E 7.89 4.21 0.00 1.95 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 10 T 7.86 4.01 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 1.17 0.00 0.00 11 A 7.82 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.71 3.73 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 1.53 1.47 0.92 0.00 0.00 13 T 7.69 4.00 4.28 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 1.16 0.00 0.00 14 L 7.98 4.15 0.00 1.90 1.76 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.63 3.96 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 16 S 7.96 4.19 0.00 3.93 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 Y 8.07 4.07 0.00 3.20 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 18 L 8.43 3.99 0.00 1.97 1.72 0.98 0.72 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 19 T 7.95 3.85 4.44 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 1.23 0.00 0.00 20 Y 7.80 3.89 0.00 2.97 2.89 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 21 Q 8.07 3.50 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 22 A 8.18 3.83 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.52 3.49 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 0.97 0.00 0.00 1.03 0.00 0.00 24 R 7.30 3.78 0.00 1.62 1.75 0.00 3.07 0.00 0.00 2.80 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.02 0.00 25 L 7.59 3.85 0.00 1.71 1.80 0.96 1.12 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 26 I 7.65 3.62 2.10 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 1.41 0.60 0.93 0.00 0.00 27 S 8.64 4.15 0.00 3.97 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 28 Q 8.14 4.14 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 29 Q 8.36 4.28 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 30 L 8.12 4.89 0.00 1.57 1.62 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.10 4.53 0.00 3.61 3.77 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 32 E 8.12 4.19 0.00 1.98 1.89 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 2.23 1.90 0.00 33 T 7.44 4.06 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 1.21 0.00 0.00 34 N 7.67 5.09 0.00 2.67 2.69 0.00 0.00 7.03 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 35 P 0.00 4.43 0.00 2.13 2.23 0.00 4.05 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 36 G 8.29 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 0.00 0.00 0.00 37 Q 8.88 4.26 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 38 A 7.50 4.20 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.42 3.72 2.10 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 1.44 1.09 0.96 0.00 0.00 40 W 8.18 4.27 0.00 3.49 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.00 3.72 0.00 2.02 1.78 0.97 1.04 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 42 G 7.79 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 43 E 7.87 3.82 0.00 1.95 1.72 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 2.32 2.33 0.00 44 F 7.38 3.92 0.00 2.20 2.40 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 45 S 8.37 4.48 0.00 3.70 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 46 K 8.22 4.28 0.00 1.84 1.74 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.31 7.81 47 R 7.00 3.96 0.00 1.62 1.89 0.00 3.05 0.00 0.00 3.01 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.33 0.00 48 H 7.24 4.91 0.00 2.52 2.99 0.00 5.71 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 49 P 0.00 4.55 0.00 2.18 2.07 0.00 3.73 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 2.02 1.96 0.00 50 I 8.06 4.00 1.51 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.86 0.89 0.00 0.00 51 Q 8.24 4.00 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.20 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 52 E 7.65 4.50 0.00 2.01 1.89 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 2.17 2.10 0.00 53 S 6.36 3.53 0.00 3.89 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 54 D 8.69 4.52 0.00 2.76 2.76 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 55 L 7.67 4.01 0.00 1.61 1.70 0.92 0.76 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 56 Y 8.13 4.39 0.00 2.90 3.33 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 57 L 7.84 4.18 0.00 1.89 1.79 1.01 1.51 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 58 E 8.38 4.21 0.00 2.09 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 2.38 2.40 0.00 59 A 7.55 4.26 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.27 0.00 1.70 1.81 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.79 4.42 0.00 1.98 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 2.16 1.84 0.00 64 N 7.14 4.46 0.00 2.00 2.55 0.00 0.00 7.20 6.30 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 65 K 7.73 3.97 0.00 1.79 1.81 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.45 7.81 66 E 7.97 3.86 0.00 1.98 1.89 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 2.35 2.34 0.00 67 L 7.86 4.02 0.00 1.77 1.69 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.49 3.58 2.21 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 1.07 0.00 0.00 0.89 0.00 0.00 69 L 7.83 3.97 0.00 1.88 1.70 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.04 3.87 0.00 2.05 1.93 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 71 I 8.03 3.70 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.58 0.98 0.00 0.00 72 L 8.14 3.99 0.00 1.84 1.75 0.94 1.02 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 73 T 7.90 3.74 4.45 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 1.21 0.00 0.00 74 V 8.13 3.92 2.20 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 1.03 0.00 0.00 0.93 0.00 0.00 75 R 8.43 4.17 0.00 2.08 2.17 0.00 2.84 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 76 E 7.78 4.15 0.00 1.85 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 2.23 2.21 0.00 77 N 7.90 4.48 0.00 2.75 2.89 0.00 0.00 6.87 6.92 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 78 L 7.30 3.94 0.00 1.79 1.75 0.87 0.80 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 79 A 8.10 4.21 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.86 4.56 0.00 2.09 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 2.18 2.17 0.00 81 G 8.12 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 0.00 0.00 0.00 0.00 82 V 7.35 4.50 2.25 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 1.03 0.00 0.00 0.96 0.00 0.00 83 L 8.15 4.04 0.00 1.96 1.71 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.24 4.15 0.00 1.99 1.86 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 2.23 1.87 0.00 *85 F 7.67 4.50 0.00 2.28 2.22 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 86 L 7.69 4.28 0.00 1.72 1.76 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.35 0.00 2.18 2.11 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 88 E 8.03 4.33 0.00 1.89 1.91 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 2.31 1.86 0.00 *90 V 8.08 4.02 2.18 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 0.87 0.00 0.00 0.91 0.00 0.00 91 L 7.67 4.03 0.00 1.66 1.67 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.05 4.38 0.00 3.83 4.10 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 0.00 0.00 0.00 93 Q 8.04 4.12 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 94 I 8.26 4.04 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.95 0.91 0.00 0.00 95 K 8.11 4.27 0.00 1.97 1.71 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.75 1.65 7.81 96 Q 8.55 3.94 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 97 S 7.74 4.08 0.00 4.03 3.90 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 98 N 9.69 4.44 0.00 2.95 2.70 0.00 0.00 6.88 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.08 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 0.00 100 N 7.97 4.51 0.00 2.81 2.83 0.00 0.00 7.15 8.04 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 0.00 101 H 8.14 4.51 0.00 3.17 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.08 4.06 0.00 2.11 2.00 0.00 3.23 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 103 R 7.82 3.92 0.00 1.89 1.98 0.00 3.15 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 104 S 7.82 4.10 0.00 4.09 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 0.00 105 L 7.89 4.25 0.00 1.75 1.89 0.92 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 0.00 106 L 7.95 4.01 0.00 1.65 1.76 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.92 4.17 0.00 2.07 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 2.52 2.46 0.00 108 R 7.40 3.53 0.00 1.92 1.75 0.00 3.31 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 109 L 7.76 4.22 0.00 1.70 1.51 0.92 0.87 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 * Residues marked with a * may have inaccurate shift predictions.