NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.5160 8.2833 118.1556 52.0998 38.8385 174.9027 2 F 4.6939 8.2265 116.8085 60.3881 38.6181 177.1551 3 F 4.5093 9.1721 118.5375 60.8598 39.2497 177.2905 4 Q 4.4755 9.0929 119.2009 58.3780 28.5676 178.0691 5 F 4.6740 9.8716 123.7124 60.8673 39.3319 176.9821 6 A 3.6978 8.8596 120.7442 55.1897 18.0597 179.1438 7 E 3.9270 8.3406 117.0608 60.1309 29.5526 179.5510 8 M 3.9292 8.4563 118.6275 58.3832 31.8503 178.3685 9 I 3.5579 7.6884 119.2285 65.5722 37.4760 177.8111 10 V 3.2558 7.9687 116.2801 66.8606 31.2982 177.3184 11 K 3.8125 7.9790 119.5254 58.8431 32.1455 177.6864 12 M 4.3324 7.2435 117.5343 54.7678 32.0969 174.4963 13 T 3.6097 7.2394 117.5900 61.5845 66.2753 172.0895 14 G 3.4699 7.8251 117.9268 45.8004 0.0000 172.3142 *16 K 4.1253 8.3294 124.8434 56.5826 32.7043 175.9089 17 E 3.6705 8.8952 124.0017 56.5634 27.0971 174.6502 18 A 3.9587 7.0735 120.1871 51.4133 19.2969 179.2486 19 V 5.2872 8.0528 132.4563 60.2482 31.3040 170.1390 20 H 4.3910 8.8673 127.3743 57.9037 32.4389 174.2493 21 S 4.1313 8.5899 115.4513 58.6663 61.1258 170.7738 22 Y 4.7796 7.0734 113.7049 57.4835 38.3578 177.2861 23 A 3.7607 7.8828 124.1736 55.1688 18.6173 178.3527 24 I 4.2916 7.3066 114.9560 61.6875 40.9426 172.9072 25 Y 4.7810 9.2291 124.2859 57.7730 42.4966 175.4315 26 G 3.7347 7.6109 114.4505 46.4695 0.0000 172.2887 27 C 4.5487 10.1264 114.9891 57.8703 41.0428 174.4514 28 Y 4.5175 10.4781 114.1361 57.6270 40.1931 175.4049 29 C 4.9032 9.6706 120.3682 54.4877 40.0505 171.9223 30 G 4.0588 7.3628 110.5567 45.5209 0.0000 173.4874 31 W 4.5236 8.7763 118.9010 56.9656 29.4992 176.3702 32 G 3.9135 7.5673 111.9452 44.6443 0.0000 173.9884 33 G 3.6213 7.1898 114.4196 44.8042 0.0000 173.2520 34 Q 4.9654 6.6102 116.2244 54.2443 32.0446 175.0502 35 G 3.9961 8.8254 103.5956 45.2967 0.0000 172.1423 36 K 4.5653 8.0628 116.9093 53.4417 34.8504 173.4614 37 P 4.6302 0.0000 0.0000 62.8675 30.8730 176.6493 38 Q 3.9264 8.6674 123.5173 58.9985 28.8182 177.5305 39 D 4.5899 7.6271 114.2047 50.7538 43.5969 175.7834 40 A 3.9897 8.6594 121.2589 55.9311 18.3605 179.5484 41 T 4.0336 8.2473 113.2387 66.9710 68.9042 175.8864 42 D 4.6626 10.3574 118.3559 55.7249 41.4171 176.7966 43 R 4.4584 8.0382 118.0257 57.4843 30.0171 177.0678 44 C 4.3593 8.1477 116.4974 61.0902 41.5070 175.1765 45 C 4.2456 8.1417 117.6260 59.6923 39.6384 175.6693 46 F 3.8889 7.6513 120.7495 61.1264 39.0284 176.9242 47 V 3.2808 7.2852 116.8748 66.4013 31.2158 177.2770 48 H 3.3320 7.6836 117.0346 59.3058 29.3037 175.9027 49 D 4.7702 7.6345 117.6351 55.1571 40.7364 176.2319 50 C 4.8268 8.5569 116.9885 56.8863 42.2258 173.7855 51 C 4.5495 7.9260 121.1091 57.6214 45.4850 174.9472 52 Y 4.4346 7.9065 117.8141 61.0828 37.5471 178.0390 53 G 3.7889 8.2380 106.7037 47.8386 0.0000 173.7842 54 T 4.2630 7.6184 108.0976 62.0836 70.0001 175.4640 55 V 3.7163 7.5780 122.0854 63.3103 31.9874 174.7072 56 N 4.9117 8.1441 120.9218 51.6558 42.2240 173.8949 *58 D 4.6226 8.7359 120.6907 53.7644 43.2075 173.4622 59 C 4.8441 7.2997 111.1631 53.3587 39.9985 171.3129 *61 N 5.0878 8.2904 115.5193 53.4994 39.1692 173.2644 *68 P 3.9788 0.0000 0.0000 62.3575 33.3917 178.2507 69 K 3.5610 8.4209 117.3087 59.5928 32.1197 178.3817 70 M 4.0062 8.0808 116.2316 58.1866 32.3089 176.7523 71 A 3.7744 7.0465 118.9007 52.0589 19.1186 177.8756 72 T 4.4853 7.9671 119.0132 61.3829 68.8248 173.4327 73 Y 5.0009 7.4364 121.1382 56.1365 38.5421 176.1150 74 S 4.8237 8.8233 112.4822 57.3296 65.9742 172.3383 75 Y 5.1746 7.3451 119.4304 56.9919 41.2734 173.8922 76 S 4.4322 8.7012 112.3041 58.1034 67.7013 175.1961 77 F 4.9525 9.3381 128.7869 57.5600 37.8317 175.7050 78 E 4.0737 8.7864 124.3813 57.6261 29.4174 179.9337 79 N 4.6478 8.7476 118.4880 53.0275 38.3625 176.4655 80 G 3.8832 8.2847 108.4241 46.2511 0.0000 172.5513 81 D 4.7150 7.2869 117.3688 52.3658 44.5054 174.0741 82 I 5.0476 8.1524 126.0316 60.4941 40.1811 174.3776 83 V 4.4483 8.2345 120.4468 62.4889 35.2447 172.3042 84 C 4.8564 8.8350 122.7726 55.2255 41.6961 174.7223 85 G 3.4258 8.4012 112.4754 45.7785 0.0000 170.9315 86 D 4.3230 7.4386 121.1607 54.6894 40.4343 174.2163 *88 N 4.8955 8.0105 121.9284 51.7005 39.3750 172.7631 89 N 4.5650 7.5969 115.3190 52.2221 42.6451 174.1887 90 L 3.9100 8.5547 128.4276 58.6636 42.3803 179.5860 91 C 4.3781 8.0842 117.2702 59.1188 43.6887 175.4311 92 L 4.1942 7.8541 119.3060 57.3939 41.2006 178.8910 93 K 3.8231 8.2371 118.9370 60.7485 32.2399 178.7812 94 T 3.7932 7.5228 110.1228 64.3047 68.2124 176.3751 95 V 3.7294 8.0600 121.2931 65.8346 31.5545 177.0788 96 C 3.1674 7.9269 116.0073 58.7825 41.8141 174.3492 97 E 3.9993 8.2719 121.7098 58.8412 29.3205 177.2326 98 C 3.9365 8.4206 116.2225 60.5988 39.8768 176.3199 99 D 4.0957 8.2805 120.0547 57.3502 40.2522 179.0998 100 R 4.0085 8.5308 119.5237 58.9370 30.0397 177.9172 101 A 4.0555 8.0777 119.3891 53.6540 18.4177 179.0466 102 A 4.1469 7.8558 118.8803 54.5360 19.4840 179.1344 103 A 3.9942 7.9411 118.7295 55.2558 18.2859 180.0491 104 I 3.7398 7.3940 117.8193 64.8627 37.1711 177.0018 105 C 4.1095 7.6506 117.7722 59.8260 37.7528 175.0173 106 L 4.1120 8.8173 120.3679 57.9694 41.2084 179.9606 107 G 3.7278 7.5663 103.3554 48.0756 0.0000 175.3292 108 Q 4.4591 8.3478 116.6700 55.9788 28.3843 176.2164 109 N 5.1389 7.8280 115.7413 53.3412 40.3074 175.7391 110 V 4.1978 7.9541 111.8761 62.2500 32.3913 178.1621 111 N 4.3904 8.2699 117.8323 55.7577 37.3507 176.0343 112 T 4.2431 7.8170 105.7705 61.2159 69.5468 173.4321 113 Y 4.0530 7.4997 124.3278 58.3910 38.6472 175.4022 114 D 4.6607 8.6257 127.1774 53.5157 41.9483 174.3466 115 K 4.3561 7.6271 121.2162 56.9087 33.6892 177.6306 116 N 4.1842 7.9018 116.9323 55.8267 39.3845 175.8359 117 Y 3.8957 8.1629 115.8189 58.4314 37.8747 175.5141 118 E 4.9235 7.8079 118.3663 56.0364 30.9608 177.6361 119 N 4.0812 7.7881 116.1475 55.2486 35.0762 173.3034 120 Y 4.7844 7.8558 118.4980 55.8945 41.8669 175.6398 121 A 3.6597 8.4890 122.3035 53.2554 14.9878 178.3178 122 I 3.7951 7.4523 120.0411 62.7559 38.0349 176.1872 *124 S 4.3796 7.5573 115.2343 57.5359 62.7768 171.6733 125 H 4.3750 7.9435 121.5270 56.9223 32.5573 174.2926 126 C 3.5507 7.6976 116.3545 57.2404 37.1762 173.8125 127 T 4.3012 7.2874 114.8599 61.7643 68.9324 174.2341 128 E 3.9885 10.1567 118.9872 56.6741 26.6640 173.5464 129 E 4.4827 7.3974 119.2571 53.0255 37.2329 172.1302 130 S 4.3736 7.9743 125.6921 56.8953 61.1657 168.8361 131 E 4.1209 8.4108 126.2446 56.6397 29.7460 176.3289 132 Q 4.6905 8.2976 122.3444 54.7853 31.2683 176.6289 133 C 4.6807 8.5770 115.1233 57.4390 41.7405 174.2846 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 N 8.28 4.52 0.00 2.89 3.09 0.00 0.00 6.13 7.23 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 2 F 8.23 4.69 0.00 3.14 3.07 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 0.00 0.00 0.00 0.00 3 F 9.17 4.51 0.00 3.48 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 4 Q 9.09 4.48 0.00 2.23 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 5 F 9.87 4.67 0.00 3.40 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 6 A 8.86 3.70 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 7 E 8.34 3.93 0.00 2.27 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 2.44 2.84 0.00 8 M 8.46 3.93 0.00 1.94 2.35 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 3.03 0.00 9 I 7.69 3.56 1.78 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.15 0.89 0.00 0.00 10 V 7.97 3.26 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 0.85 0.00 0.00 0.94 0.00 0.00 11 K 7.98 3.81 0.00 1.53 1.32 0.00 1.81 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.38 7.81 12 M 7.24 4.33 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 13 T 7.24 3.61 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 1.21 0.00 0.00 14 G 7.83 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 8.33 4.13 0.00 1.76 1.82 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 17 E 8.90 3.67 0.00 2.04 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 2.21 2.34 0.00 18 A 7.07 3.96 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 19 V 8.05 5.29 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 0.61 0.00 0.00 0.93 0.00 0.00 20 H 8.87 4.39 0.00 3.10 3.27 0.00 5.99 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.59 4.13 0.00 3.64 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 22 Y 7.07 4.78 0.00 3.01 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 23 A 7.88 3.76 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 24 I 7.31 4.29 1.99 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 1.25 0.43 1.08 0.00 0.00 25 Y 9.23 4.78 0.00 3.11 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 26 G 7.61 3.73 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 0.00 0.00 0.00 27 C 10.13 4.55 0.00 3.10 3.07 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 0.00 0.00 0.00 0.00 28 Y 10.48 4.52 0.00 3.23 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 29 C 9.67 4.90 0.00 3.57 3.37 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 30 G 7.36 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 31 W 8.78 4.52 0.00 3.24 3.30 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 32 G 7.57 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 0.00 0.00 0.00 33 G 7.19 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 34 Q 6.61 4.97 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.32 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 35 G 8.83 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 0.00 0.00 0.00 36 K 8.06 4.57 0.00 1.64 1.53 0.00 2.02 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.39 7.81 37 P 0.00 4.63 0.00 2.03 2.25 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 38 Q 8.67 3.93 0.00 1.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 39 D 7.63 4.59 0.00 2.93 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 40 A 8.66 3.99 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 41 T 8.25 4.03 4.90 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 1.37 0.00 0.00 42 D 10.36 4.66 0.00 2.73 2.81 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 43 R 8.04 4.46 0.00 2.02 1.98 0.00 3.09 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 44 C 8.15 4.36 0.00 3.27 3.05 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 45 C 8.14 4.25 0.00 3.11 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 46 F 7.65 3.89 0.00 2.56 2.92 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 47 V 7.29 3.28 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 0.83 0.00 0.00 1.02 0.00 0.00 48 H 7.68 3.33 0.00 3.23 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.63 4.77 0.00 2.64 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 50 C 8.56 4.83 0.00 2.18 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 51 C 7.93 4.55 0.00 2.80 2.78 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 0.00 0.00 0.00 0.00 52 Y 7.91 4.43 0.00 3.00 2.86 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 53 G 8.24 3.79 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 0.00 0.00 0.00 54 T 7.62 4.26 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 1.24 0.00 0.00 55 V 7.58 3.72 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 0.76 0.00 0.00 1.01 0.00 0.00 56 N 8.14 4.91 0.00 2.68 2.65 0.00 0.00 6.87 8.06 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 *58 D 8.74 4.62 0.00 2.64 2.81 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 59 C 7.30 4.84 0.00 3.03 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 *61 N 8.29 5.09 0.00 2.68 2.67 0.00 0.00 7.66 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 *68 P 0.00 3.98 0.00 0.85 0.49 0.00 3.49 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 1.34 1.66 0.00 69 K 8.42 3.56 0.00 1.70 1.62 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.02 1.22 7.81 70 M 8.08 4.01 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 71 A 7.05 3.77 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 72 T 7.97 4.49 4.20 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 1.17 0.00 0.00 73 Y 7.44 5.00 0.00 3.14 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 74 S 8.82 4.82 0.00 3.95 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 75 Y 7.35 5.17 0.00 3.16 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 76 S 8.70 4.43 0.00 3.85 3.82 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 0.00 0.00 0.00 0.00 77 F 9.34 4.95 0.00 3.01 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 78 E 8.79 4.07 0.00 1.90 1.24 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 2.29 2.28 0.00 79 N 8.75 4.65 0.00 2.63 2.48 0.00 0.00 6.77 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 80 G 8.28 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.29 4.72 0.00 2.63 2.37 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 82 I 8.15 5.05 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.97 1.14 0.00 0.00 83 V 8.23 4.45 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 0.89 0.00 0.00 1.13 0.00 0.00 84 C 8.84 4.86 0.00 2.87 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 85 G 8.40 3.43 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 0.00 86 D 7.44 4.32 0.00 2.97 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 *88 N 8.01 4.90 0.00 2.79 2.83 0.00 0.00 7.03 8.00 0.00 0.00 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 N 7.60 4.56 0.00 2.68 2.80 0.00 0.00 6.68 6.66 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 90 L 8.55 3.91 0.00 1.71 1.64 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.08 4.38 0.00 3.03 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 92 L 7.85 4.19 0.00 2.25 1.95 1.00 0.77 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 93 K 8.24 3.82 0.00 1.98 2.43 0.00 1.33 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.80 1.48 7.81 94 T 7.52 3.79 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 1.23 0.00 0.00 95 V 8.06 3.73 2.46 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 1.41 0.00 0.00 0.92 0.00 0.00 96 C 7.93 3.17 0.00 2.30 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 97 E 8.27 4.00 0.00 2.23 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 2.27 2.35 0.00 98 C 8.42 3.94 0.00 2.85 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 99 D 8.28 4.10 0.00 2.78 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 0.00 100 R 8.53 4.01 0.00 1.86 2.07 0.00 3.09 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 101 A 8.08 4.06 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 0.00 102 A 7.86 4.15 1.57 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 0.00 0.00 103 A 7.94 3.99 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 0.00 104 I 7.39 3.74 1.89 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 1.45 0.87 0.93 0.00 0.00 105 C 7.65 4.11 0.00 3.11 3.22 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 0.00 106 L 8.82 4.11 0.00 1.66 1.57 0.44 0.38 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 0.00 107 G 7.57 3.73 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 0.00 0.00 0.00 108 Q 8.35 4.46 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.32 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 109 N 7.83 5.14 0.00 2.78 2.82 0.00 0.00 6.89 8.15 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 0.00 110 V 7.95 4.20 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 0.82 0.00 0.00 0.99 0.00 0.00 111 N 8.27 4.39 0.00 2.87 2.98 0.00 0.00 6.07 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 0.00 112 T 7.82 4.24 4.32 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 1.26 0.00 0.00 113 Y 7.50 4.05 0.00 2.98 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 0.00 114 D 8.63 4.66 0.00 2.81 2.59 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 0.00 115 K 7.63 4.36 0.00 1.93 1.66 0.00 1.88 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.61 7.81 116 N 7.90 4.18 0.00 2.66 2.75 0.00 0.00 6.90 7.48 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 0.00 117 Y 8.16 3.90 0.00 2.14 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.81 4.92 0.00 2.12 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 2.76 2.72 0.00 119 N 7.79 4.08 0.00 2.85 3.21 0.00 0.00 6.67 7.46 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 0.00 120 Y 7.86 4.78 0.00 3.11 3.07 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 0.00 0.00 0.00 0.00 121 A 8.49 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.45 3.80 1.86 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 1.12 0.90 0.00 0.00 *124 S 7.56 4.38 0.00 3.87 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 0.00 125 H 7.94 4.38 0.00 2.94 2.96 0.00 5.96 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.70 3.55 0.00 2.93 3.25 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 0.00 127 T 7.29 4.30 4.20 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 1.21 0.00 0.00 128 E 10.16 3.99 0.00 2.20 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 2.18 2.28 0.00 129 E 7.40 4.48 0.00 2.02 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 2.12 2.28 0.00 130 S 7.97 4.37 0.00 4.16 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 0.00 131 E 8.41 4.12 0.00 1.60 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 2.11 2.14 0.00 132 Q 8.30 4.69 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 133 C 8.58 4.68 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.