NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2796 8.3049 120.3281 56.0611 33.2689 174.3860 2 K 3.4767 8.6818 120.4998 56.3597 28.8471 171.9689 3 K 4.4925 8.4277 123.0824 53.9803 36.5598 177.5942 4 A 4.3548 9.4612 130.5650 52.2558 18.8916 178.8979 5 T 4.1365 8.1552 108.6706 64.0140 67.3651 173.5352 6 C 3.5831 8.5770 115.0349 60.2731 29.9678 172.3353 7 L 4.6685 7.1449 112.6141 54.0410 43.7923 175.6355 8 T 4.1982 6.8664 122.9117 62.0799 65.5451 174.8146 9 D 3.3700 7.5648 123.7977 56.4337 39.5569 179.0420 10 D 4.2283 7.3764 119.0744 57.4461 40.8361 178.4810 11 Q 4.0340 7.7772 118.9718 58.4582 29.1544 177.6178 12 R 3.5314 8.0518 120.0265 58.9393 29.8371 178.6089 13 W 4.7107 7.9520 128.2476 60.7161 30.6473 177.7798 14 Q 3.8479 7.8853 119.0260 59.0550 28.3916 178.2605 15 S 4.1270 8.7824 115.2742 61.0827 62.2562 176.2451 16 V 4.2398 8.1297 122.0120 65.0671 31.1463 177.3837 17 L 3.6926 7.6009 118.5575 56.2757 41.6054 178.0622 18 A 3.9699 7.7838 118.8030 51.4822 18.9015 177.0475 19 R 3.7862 7.1652 112.6627 56.6515 29.1061 176.5934 20 D 4.3798 8.0826 118.4627 54.7365 40.9587 174.3708 21 P 4.5140 0.0000 0.0000 63.8740 31.0969 176.2590 22 N 4.6498 8.1510 116.3280 53.9009 40.0167 174.7065 23 A 4.6559 7.8703 119.4174 52.2271 20.5650 175.6229 24 D 4.4442 7.7121 117.2908 54.9522 41.8309 175.1182 25 G 4.0896 8.9086 114.4094 46.0569 0.0000 174.2613 26 E 4.1485 7.8141 119.8160 58.6400 29.7648 175.9194 27 F 6.1008 7.4834 110.2388 56.3838 41.6919 173.1320 28 V 4.9980 9.0444 111.5326 59.5406 36.5286 174.6198 29 F 5.9208 9.0862 114.7498 54.6495 40.9198 173.4162 30 A 4.5211 8.5788 125.9349 50.1727 20.7987 175.8021 31 V 4.2214 8.3390 124.4808 62.1750 30.9083 177.2965 32 R 3.9762 9.4774 129.9573 58.9037 30.2921 179.3606 33 T 4.0129 7.9154 111.8807 64.2917 67.4416 174.2477 34 T 4.3671 7.1637 110.0691 60.7020 69.0061 173.8291 35 G 4.0581 8.3808 109.5209 47.3351 0.0000 172.8871 36 I 5.3111 7.3685 118.0870 58.0025 41.5233 174.4374 37 F 5.4453 7.4049 116.2966 55.1545 41.2729 173.7436 *39 R 4.5318 8.4237 118.8784 55.4110 31.6134 174.6359 40 P 4.5070 0.0000 0.0000 64.9506 31.4749 177.5633 41 S 4.9045 7.2108 114.0393 57.4168 63.2791 173.6471 42 C 3.8623 8.3802 120.1902 61.3800 31.4141 173.3776 43 R 4.4317 8.5399 120.7681 56.0958 29.8904 176.8198 44 A 4.1730 7.9224 121.8781 53.0317 19.2869 177.4377 45 R 4.3928 6.9462 111.9852 57.0922 32.6336 172.0587 46 H 5.1429 8.5815 114.8612 54.1137 32.7283 172.6351 47 A 4.9591 8.6410 122.9652 49.7941 21.7088 176.2910 48 L 4.2476 8.3664 119.1272 54.9139 42.4188 178.9512 49 R 2.5100 8.4504 120.4637 58.7690 30.1204 178.0434 50 E 3.8461 7.8905 117.5821 59.5621 29.6736 177.2166 51 N 4.7267 7.8534 113.7115 53.0343 38.6735 174.1534 52 V 4.7989 8.0128 120.1240 61.0961 33.2953 174.9827 53 S 4.7594 8.6979 121.7782 56.4445 66.6944 172.4553 54 F 6.2807 8.5279 116.8845 55.2627 42.1492 174.5152 55 Y 4.7412 8.9567 117.2722 56.1352 41.7932 176.6359 56 A 4.2249 9.0213 124.8970 54.7599 19.1481 177.9812 57 N 5.2070 7.8780 111.2758 50.2488 42.0003 175.1652 58 A 3.8161 8.5939 121.9643 55.0346 18.4566 179.8927 59 S 3.8609 8.1036 111.7368 61.1689 62.2973 175.6986 60 E 3.8973 9.1607 122.0595 59.2429 29.6910 178.2785 61 A 2.5800 7.1465 120.1604 54.5649 17.5239 179.6272 62 L 3.9758 7.8762 117.6890 57.6796 41.4157 179.2960 63 A 4.1270 8.0431 119.5291 53.8705 18.5845 178.5017 64 A 4.1263 7.7248 117.9519 52.1058 18.6738 177.3824 65 G 3.4939 7.5298 104.5296 46.4689 0.0000 173.6473 66 F 5.3328 7.8001 115.9965 55.5302 42.5287 175.6051 67 R 4.6629 9.2558 120.4670 53.8944 31.4622 174.4817 68 P 3.6104 0.0000 0.0000 62.2100 32.2076 175.8497 69 C 3.8403 7.4722 124.1508 59.3851 31.5103 174.1017 70 K 3.9749 8.6465 127.3581 58.1986 30.4739 176.9653 71 R 4.3114 7.6446 117.4962 58.6271 31.0045 176.8123 72 C 5.0496 7.5971 115.1210 60.1189 28.7224 175.2599 73 Q 4.0557 8.3607 121.8267 58.3319 28.8757 175.6399 74 P 4.4177 0.0000 0.0000 65.0968 32.0641 176.1408 75 D 4.6775 7.4537 117.5652 52.3985 40.6292 174.5695 76 K 4.8748 8.2269 117.5805 54.5997 36.0887 173.9680 77 A 5.3209 8.3246 127.4818 51.8730 17.0646 180.0892 78 N 3.8599 8.1381 124.5585 56.6768 38.9628 175.2769 79 P 4.3533 0.0000 0.0000 65.2191 31.0995 177.7607 80 R 3.8501 8.7217 120.3744 60.0516 29.9135 177.9327 81 Q 4.0962 7.9401 115.9905 59.6279 28.9311 179.3365 82 H 4.2261 8.0963 116.5762 58.8742 28.7990 177.6609 83 R 3.9820 8.3746 120.4814 58.8874 29.8834 178.1776 84 L 4.0685 7.9451 120.4635 57.8594 42.1482 178.4327 85 D 4.3393 8.1271 119.1868 56.9183 40.4584 178.4895 86 K 3.8697 7.6630 118.9663 59.6520 32.4384 178.3896 87 I 3.5248 7.3312 119.6796 64.6222 36.8553 178.2245 88 T 4.2235 7.7380 116.3349 67.3141 68.3288 175.7332 89 H 4.0300 8.1228 119.0485 59.3789 29.7936 176.8364 90 A 4.1053 8.2968 122.7377 55.3483 17.9704 179.1843 91 C 5.1210 8.6910 118.8707 62.3185 31.6627 175.4328 92 R 3.9567 8.1047 119.8452 59.7215 29.1794 177.7611 93 L 4.0194 8.0435 119.7031 58.3162 41.8780 178.6032 94 L 4.2927 7.9387 116.6507 56.2642 41.6893 176.9879 95 E 4.6233 7.6781 117.0472 55.4620 31.2793 176.2600 96 Q 4.1630 8.8671 119.7994 59.3797 29.8135 175.4754 97 E 4.5038 7.4480 117.2306 56.3572 31.2525 174.5883 98 T 4.3712 8.2982 111.7128 65.0874 70.2509 173.1329 99 P 4.3909 0.0000 0.0000 62.5168 32.0252 176.3180 100 V 3.8022 8.2294 120.8245 62.8333 32.1737 175.6842 101 T 4.5511 8.3926 115.4987 60.1479 69.2230 173.4704 102 L 4.7757 8.1395 125.0944 53.4656 44.5661 178.5767 103 E 3.8755 8.6115 119.1932 59.5788 29.3299 178.7777 104 A 4.0100 7.9445 119.9392 54.8847 18.5558 179.2241 105 L 3.8062 7.7891 118.1299 58.2983 42.3975 178.5145 106 A 4.1986 8.6573 123.0807 54.8382 18.0402 179.4066 107 D 4.3554 7.9578 115.9236 57.4484 40.9304 178.4721 108 Q 4.0726 7.8742 119.3823 58.7178 29.2011 177.6611 109 V 3.9696 7.8535 116.5474 62.1642 32.1472 175.2826 110 A 3.7026 8.8764 120.4534 53.4005 15.9895 177.0287 111 M 4.8471 7.6087 115.0783 53.8602 34.9018 174.3353 112 S 4.3496 8.3028 114.8161 57.1524 65.5039 173.2150 113 P 4.3156 0.0000 0.0000 66.0571 30.8889 178.6005 114 F 4.2815 8.0309 117.2329 60.6670 38.8490 176.9541 115 H 4.0887 8.2660 117.8217 58.6264 29.5322 177.0493 116 L 4.0267 7.9474 122.6251 58.4248 41.9173 178.4841 117 H 4.3948 8.1120 116.0134 59.2262 28.6609 177.5377 118 R 3.8736 7.9557 120.2632 59.3915 29.7046 178.3247 119 L 3.9668 8.2915 120.4117 58.1344 42.1762 178.3604 120 F 4.2253 8.7097 121.1181 61.5987 39.1608 177.1577 121 K 3.9129 8.3835 118.7584 59.1708 31.7947 178.4889 122 A 3.9792 7.9014 120.1417 55.8128 18.4120 179.5380 123 T 3.9679 8.2015 112.9976 67.0227 68.7554 176.5081 124 T 4.1435 7.8916 114.4972 64.6547 67.3290 173.4926 125 G 4.2583 9.0679 109.4524 46.5443 0.0000 175.0397 126 M 4.4819 6.7584 117.2623 53.0214 33.1172 176.6725 127 T 4.0728 6.7368 110.1928 61.1237 72.7360 173.5190 128 P 4.7042 0.0000 0.0000 63.0573 31.1689 179.0401 129 K 3.7073 9.2917 123.1412 58.7533 32.2697 176.1602 130 A 3.8548 7.6843 120.9649 54.7377 18.3536 179.1459 131 W 3.6600 7.8140 127.0086 60.1924 30.5841 177.9820 132 Q 3.8069 7.1613 119.0573 59.0586 28.3087 177.9548 133 Q 3.8093 7.6985 118.8161 59.1685 29.3447 177.5208 134 A 3.9476 7.9304 122.0301 54.9875 18.3325 179.2149 135 W 4.7627 7.4756 116.7632 60.4548 29.0508 178.8537 136 R 4.0704 7.9521 116.4799 59.4093 29.5261 178.0905 137 A 4.1284 8.1686 120.1814 54.1809 18.4754 178.5908 138 R 4.2989 7.8598 114.7480 56.8958 30.9453 176.4144 139 R 4.2660 8.3433 122.9755 56.6914 30.2656 175.3133 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 8.30 4.28 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 K 8.68 3.48 0.00 1.93 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 K 8.43 4.49 0.00 1.68 1.67 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.54 7.81 4 A 9.46 4.35 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 5 T 8.16 4.14 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 1.20 0.00 0.00 6 C 8.58 3.58 0.00 3.13 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 7 L 7.14 4.67 0.00 1.57 1.46 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 8 T 6.87 4.20 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 1.14 0.00 0.00 9 D 7.56 3.37 0.00 2.45 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 10 D 7.38 4.23 0.00 2.74 2.71 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 11 Q 7.78 4.03 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 12 R 8.05 3.53 0.00 0.67 0.66 0.00 3.12 0.00 0.00 2.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 0.00 13 W 7.95 4.71 0.00 3.63 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 0.00 14 Q 7.89 3.85 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 15 S 8.78 4.13 0.00 4.25 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 0.00 16 V 8.13 4.24 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 1.82 0.00 0.00 17 L 7.60 3.69 0.00 1.20 1.22 0.53 -1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.78 3.97 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 19 R 7.17 3.79 0.00 1.89 2.03 0.00 3.06 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 20 D 8.08 4.38 0.00 2.80 2.66 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 21 P 0.00 4.51 0.00 2.23 2.15 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 22 N 8.15 4.65 0.00 2.69 3.30 0.00 0.00 6.96 8.01 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 23 A 7.87 4.66 1.59 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 24 D 7.71 4.44 0.00 2.86 2.52 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 25 G 8.91 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 0.00 0.00 0.00 26 E 7.81 4.15 0.00 2.16 2.31 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 2.52 2.37 0.00 27 F 7.48 6.10 0.00 3.40 3.15 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 28 V 9.04 5.00 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 1.02 0.00 0.00 0.98 0.00 0.00 29 F 9.09 5.92 0.00 2.87 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 4.52 0.98 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 0.00 0.00 31 V 8.34 4.22 1.90 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 1.04 0.00 0.00 0.80 0.00 0.00 32 R 9.48 3.98 0.00 1.85 2.06 0.00 3.33 0.00 0.00 3.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.69 0.00 33 T 7.92 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 1.20 0.00 0.00 34 T 7.16 4.37 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 1.19 0.00 0.00 35 G 8.38 4.06 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 0.00 0.00 0.00 36 I 7.37 5.31 1.63 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 1.05 2.08 0.66 0.00 0.00 37 F 7.40 5.45 0.00 2.76 2.71 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 *39 R 8.42 4.53 0.00 1.82 2.11 0.00 3.23 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 40 P 0.00 4.51 0.00 2.34 2.27 0.00 3.75 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.58 0.00 41 S 7.21 4.90 0.00 4.08 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 42 C 8.38 3.86 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.54 4.43 0.00 1.95 2.01 0.00 3.24 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 44 A 7.92 4.17 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 45 R 6.95 4.39 0.00 1.83 1.89 0.00 3.21 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 46 H 8.58 5.14 0.00 3.20 3.31 0.00 5.69 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 47 A 8.64 4.96 1.31 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 0.00 0.00 0.00 48 L 8.37 4.25 0.00 1.73 1.62 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.45 2.51 0.00 1.32 1.62 0.00 3.21 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 50 E 7.89 3.85 0.00 1.91 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 2.28 2.31 0.00 51 N 7.85 4.73 0.00 2.59 2.84 0.00 0.00 6.61 7.56 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 52 V 8.01 4.80 1.59 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 -0.07 0.00 0.00 1.05 0.00 0.00 53 S 8.70 4.76 0.00 3.82 3.94 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 54 F 8.53 6.28 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.96 4.74 0.00 2.93 2.97 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 0.00 0.00 0.00 0.00 56 A 9.02 4.22 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 57 N 7.88 5.21 0.00 2.99 2.93 0.00 0.00 6.20 8.09 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 58 A 8.59 3.82 1.68 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 59 S 8.10 3.86 0.00 3.86 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 60 E 9.16 3.90 0.00 2.14 2.33 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 2.46 2.66 0.00 61 A 7.15 2.58 -1.11 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 0.00 0.00 62 L 7.88 3.98 0.00 1.74 1.77 1.06 0.78 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 63 A 8.04 4.13 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 64 A 7.72 4.13 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 65 G 7.53 3.49 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 0.00 66 F 7.80 5.33 0.00 3.21 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 67 R 9.26 4.66 0.00 1.68 1.85 0.00 3.31 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 68 P 0.00 3.61 0.00 1.93 1.80 0.00 3.78 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 1.93 2.01 0.00 69 C 7.47 3.84 0.00 2.80 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 70 K 8.65 3.97 0.00 1.71 1.77 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.53 7.81 71 R 7.64 4.31 0.00 1.89 1.82 0.00 3.24 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 72 C 7.60 5.05 0.00 2.78 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 4.06 0.00 1.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 74 P 0.00 4.42 0.00 2.25 2.14 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.13 0.00 75 D 7.45 4.68 0.00 3.00 2.97 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 0.00 0.00 0.00 0.00 76 K 8.23 4.87 0.00 1.72 1.73 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.46 7.81 77 A 8.32 5.32 1.17 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 0.00 0.00 78 N 8.14 3.86 0.00 2.67 2.85 0.00 0.00 7.07 5.12 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 79 P 0.00 4.35 0.00 2.26 2.31 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 80 R 8.72 3.85 0.00 2.08 1.93 0.00 3.14 0.00 0.00 3.19 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 81 Q 7.94 4.10 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 82 H 8.10 4.23 0.00 3.31 3.38 0.00 5.82 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 83 R 8.37 3.98 0.00 1.93 2.08 0.00 3.14 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 84 L 7.95 4.07 0.00 1.97 1.78 1.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.13 4.34 0.00 2.96 2.65 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 86 K 7.66 3.87 0.00 1.74 1.96 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 87 I 7.33 3.52 1.59 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.59 -1.52 0.00 0.00 88 T 7.74 4.22 4.34 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 0.82 0.00 0.00 89 H 8.12 4.03 0.00 3.21 3.40 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.30 4.11 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 91 C 8.69 5.12 0.00 3.43 3.44 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 92 R 8.10 3.96 0.00 1.87 2.12 0.00 3.05 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 93 L 8.04 4.02 0.00 1.90 1.73 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.94 4.29 0.00 2.13 1.74 1.16 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.68 4.62 0.00 1.85 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 2.23 2.27 0.00 96 Q 8.87 4.16 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 97 E 7.45 4.50 0.00 2.14 1.96 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 2.34 2.66 0.00 98 T 8.30 4.37 4.26 0.00 0.00 0.00 0.00 0.00 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 99 P 0.00 4.39 0.00 2.20 2.07 0.00 3.78 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 1.97 0.00 100 V 8.23 3.80 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 0.94 0.00 0.00 0.99 0.00 0.00 101 T 8.39 4.55 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 1.23 0.00 0.00 102 L 8.14 4.78 0.00 1.77 1.74 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.61 3.88 0.00 2.08 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 2.40 2.63 0.00 104 A 7.94 4.01 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 0.00 105 L 7.79 3.81 0.00 1.72 1.82 0.96 1.00 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 0.00 106 A 8.66 4.20 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 0.00 107 D 7.96 4.36 0.00 2.97 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 0.00 108 Q 7.87 4.07 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 109 V 7.85 3.97 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 0.90 0.00 0.00 1.03 0.00 0.00 110 A 8.88 3.70 1.38 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 0.00 0.00 111 M 7.61 4.85 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 112 S 8.30 4.35 0.00 3.95 4.02 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 0.00 113 P 0.00 4.32 0.00 2.41 2.39 0.00 3.53 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 114 F 8.03 4.28 0.00 3.06 3.08 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 0.00 115 H 8.27 4.09 0.00 3.24 3.37 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.95 4.03 0.00 1.89 1.80 1.05 1.08 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 0.00 117 H 8.11 4.39 0.00 3.47 3.43 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.96 3.87 0.00 1.86 1.62 0.00 3.09 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 119 L 8.29 3.97 0.00 1.93 1.90 0.95 0.88 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 0.00 120 F 8.71 4.23 0.00 3.41 3.10 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 0.00 121 K 8.38 3.91 0.00 1.84 1.95 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.47 7.81 122 A 7.90 3.98 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 0.00 123 T 8.20 3.97 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 1.25 0.00 0.00 124 T 7.89 4.14 4.79 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 1.10 0.00 0.00 125 G 9.07 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 M 6.76 4.48 0.00 1.74 1.76 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 127 T 6.74 4.07 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 128 P 0.00 4.70 0.00 2.16 1.69 0.00 3.53 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 1.96 1.93 0.00 129 K 9.29 3.71 0.00 1.60 1.66 0.00 1.41 0.00 0.00 1.41 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.37 7.81 130 A 7.68 3.85 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 131 W 7.81 3.66 0.00 3.19 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 0.00 0.00 0.00 132 Q 7.16 3.81 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 133 Q 7.70 3.81 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 134 A 7.93 3.95 0.75 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 0.00 135 W 7.48 4.76 0.00 3.46 3.04 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 0.00 136 R 7.95 4.07 0.00 1.87 2.31 0.00 3.27 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 137 A 8.17 4.13 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 0.00 138 R 7.86 4.30 0.00 1.86 2.03 0.00 3.19 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 139 R 8.34 4.27 0.00 1.92 1.77 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.