NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 3.9353 8.0549 120.3870 62.9544 33.5310 175.6056 9 Y 3.9369 7.4491 117.9494 57.2584 38.5017 173.8495 10 D 3.8083 8.6041 121.6966 51.7352 45.2093 173.6621 11 P 4.2847 0.0000 0.0000 62.9723 31.5585 178.1227 12 A 4.0421 7.8540 121.1954 55.2208 18.1597 179.8976 13 Q 3.9045 7.9028 115.8757 58.5905 28.7897 178.2708 14 A 4.0804 7.6723 121.6469 54.5979 18.7078 179.4792 15 R 3.8100 7.9789 117.3188 59.8133 30.1406 178.8929 16 I 3.8397 7.8393 119.5563 64.3964 36.4970 178.3134 17 E 4.0383 7.9059 118.8135 59.0270 29.1310 178.8463 18 A 4.1903 8.1346 120.4973 54.4720 18.7757 179.3797 19 E 3.9946 8.7195 117.8196 59.3420 29.6587 179.3457 20 S 4.2568 7.8516 115.0953 60.8885 62.8663 176.8734 21 V 3.5749 7.3492 120.6171 65.8371 31.3645 178.0090 22 K 4.3230 8.0621 120.3822 58.9192 31.8933 178.5849 23 A 4.0209 7.9420 120.8334 55.2557 18.0857 179.8337 24 V 3.5935 7.5507 115.3720 66.0156 31.7257 178.0296 25 Q 4.1685 8.0428 118.1110 58.7544 28.3214 178.3124 26 E 4.0562 8.1298 119.0796 58.8457 29.9565 179.0249 27 K 4.3079 7.9464 119.6292 56.4289 31.6597 178.8363 *29 A 4.3638 8.0004 123.0929 52.0120 20.5855 178.3497 30 G 4.0268 7.5352 102.4925 45.0673 0.0000 172.9672 31 N 4.7433 7.8055 117.2639 52.4041 41.6466 173.6181 32 D 4.9328 8.5774 123.5919 52.8278 40.2598 175.6855 33 D 4.4712 8.4566 120.7188 53.9755 42.3382 174.8154 34 P 4.2810 0.0000 0.0000 66.2661 31.3364 178.1252 35 H 4.2370 8.3015 116.2995 59.2421 29.8975 176.9639 36 F 4.0426 8.7003 122.4969 61.3613 39.1005 176.9971 37 Q 3.9945 8.3468 117.6875 59.3617 28.5082 179.1386 38 T 3.8644 7.7854 116.1923 66.5945 68.4889 177.0835 39 R 3.7541 7.8359 119.7506 59.1749 29.9992 178.9024 40 A 3.8719 7.8843 119.9400 54.4481 18.2655 179.4502 41 T 3.9745 7.3647 114.6891 65.9529 68.2584 177.3990 42 V 3.5791 7.5646 120.3941 65.9752 31.4773 178.2688 43 I 3.7324 7.8165 119.6840 64.1519 37.0845 178.3475 44 K 3.8973 7.8235 120.5008 59.3251 31.8413 178.5310 45 E 3.9839 8.0456 119.4151 58.9886 29.5787 178.8507 46 Q 3.9621 7.7728 117.5676 59.0475 29.0649 178.7454 47 R 4.1309 8.3015 118.9430 58.7816 29.9953 179.1462 48 A 3.9825 7.8715 120.5534 55.3039 18.4958 179.6242 49 E 3.9936 7.9805 116.8459 59.2890 29.4728 179.6596 50 L 3.9766 7.9421 119.0764 57.5338 41.6512 179.2308 51 A 4.0563 7.9489 120.4859 55.0452 18.2276 179.8352 52 K 3.9098 8.1101 117.0626 59.7358 32.0521 178.9719 53 H 4.1517 8.1754 118.4393 59.8420 29.6849 177.1030 54 H 4.2098 8.0587 117.7351 58.6782 28.2884 178.0771 55 V 3.6810 7.7100 119.9239 65.9312 31.4792 178.0763 56 S 4.2602 8.4159 113.2423 61.4146 62.1276 176.3440 57 V 3.7950 8.0654 122.6171 65.3163 31.2603 178.0076 58 L 3.8664 7.8085 118.9832 57.5190 41.2168 179.3228 59 W 4.7607 8.1822 127.7838 60.0731 30.9981 177.8002 60 S 4.1940 8.3209 113.9126 60.8754 62.9537 175.8494 61 D 4.5188 8.2273 121.1679 55.6259 41.1084 176.5502 62 Y 3.6510 7.3285 119.1675 58.8126 39.4984 174.8306 63 F 3.7694 7.7384 127.2046 57.7146 38.9460 175.7768 64 K 4.2690 8.1204 125.3673 54.6075 33.3534 176.4733 65 P 4.4916 0.0000 0.0000 65.5717 30.8758 177.0257 66 P 4.3613 0.0000 0.0000 65.6086 31.3870 178.1823 67 H 4.2675 7.8102 116.4331 58.6623 28.2887 177.4380 68 F 4.5611 7.7053 118.3174 59.9794 39.0347 176.9405 69 E 4.1624 7.7656 117.4633 58.3329 29.4754 178.0229 70 K 4.2296 7.5189 119.1169 57.3149 33.5365 175.8725 71 Y 4.6485 7.8617 117.9735 54.8990 38.3486 174.1183 72 P 4.5939 0.0000 0.0000 64.7114 32.0990 177.7126 73 E 4.3766 8.1725 115.9857 56.6757 30.6388 177.7385 74 L 3.9415 8.0604 122.1588 58.7154 41.9362 178.1670 75 H 4.2161 8.3810 115.5982 59.3239 28.6695 177.4156 76 Q 3.9359 8.0533 120.2838 58.4797 28.8851 177.7171 77 L 3.8736 7.6562 121.3923 58.1815 42.2155 179.0328 78 V 3.4516 7.7873 118.3062 65.8118 31.2511 177.5512 79 N 3.9867 7.5774 116.6762 56.7359 38.8484 176.7735 80 D 4.0709 8.0235 120.2299 57.1465 40.4937 178.9921 81 T 3.4944 7.3164 115.9847 66.3661 68.5284 176.5537 82 L 4.0684 7.4303 119.8815 57.6668 41.8582 179.4274 83 K 4.1190 8.1571 118.4442 58.8553 32.0785 179.0274 84 A 4.4521 7.8139 120.3993 52.6502 17.8564 179.3850 *86 S 4.3196 8.1878 118.9781 60.0368 65.1770 176.4791 87 A 4.2628 7.7738 121.7743 54.9142 18.0547 179.5259 88 A 4.0457 7.9180 120.3643 54.5056 18.2232 179.7632 89 K 4.0288 7.5829 118.0744 58.8437 32.3356 178.2728 90 G 3.9461 7.5589 103.5498 43.7692 0.0000 173.0661 91 S 4.8327 7.2429 114.7189 56.5045 64.9969 173.6642 92 K 4.3934 8.3671 121.5552 56.0807 32.8833 176.0565 93 D 4.5795 7.9984 121.0672 52.9986 41.7432 175.3937 94 P 4.4871 0.0000 0.0000 65.2291 31.3528 178.4947 95 A 4.0919 8.1947 119.8293 55.0293 17.9900 179.4687 96 T 4.0774 7.8418 108.9270 64.7250 69.0765 177.3132 97 G 3.6962 7.9202 108.1483 47.3620 0.0000 175.2651 98 Q 4.1000 8.1190 121.6001 58.4111 29.0746 177.9292 99 K 3.9048 8.0137 120.9471 59.2949 32.3351 178.6978 100 A 4.2096 8.0111 120.7693 55.0728 18.2830 179.6675 101 L 4.0387 7.8988 117.4906 58.0224 41.3057 179.3921 102 D 4.3824 8.4213 119.1404 57.5491 40.8285 178.4084 103 Y 4.3462 8.0633 117.1986 60.8190 37.7963 178.0749 104 I 3.9975 7.8296 120.2457 63.8865 37.2519 178.1564 105 A 4.0592 8.1535 121.9275 55.0942 18.0464 179.7276 106 Q 4.0290 7.8805 115.6374 59.1579 28.7448 178.8926 107 I 3.8521 7.5431 120.0828 64.3364 37.1644 177.9581 108 D 4.4328 8.5108 119.2333 57.0903 40.7979 178.2834 109 K 4.1401 8.0210 119.6124 59.6967 32.3101 178.6868 110 I 3.7381 7.7099 119.9095 63.8826 36.8776 178.1833 111 F 4.1496 8.7382 122.1210 61.2572 39.3317 177.2773 112 W 4.4494 8.3095 117.8075 58.8947 28.6416 177.3914 113 E 4.6268 7.7372 117.0673 56.8213 29.1304 177.3532 114 T 4.6338 7.6315 108.2366 61.3641 69.9052 174.9674 115 K 4.4252 7.7433 119.5757 56.5971 33.2843 176.1951 116 K 4.2434 8.0726 123.0500 56.5561 32.2376 176.4926 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 8 V 8.05 3.94 1.79 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 0.41 0.00 0.00 0.84 0.00 0.00 9 Y 7.45 3.94 0.00 2.85 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 10 D 8.60 3.81 0.00 2.50 2.35 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 11 P 0.00 4.28 0.00 2.16 1.81 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.00 12 A 7.85 4.04 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 13 Q 7.90 3.90 0.00 1.82 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 14 A 7.67 4.08 1.32 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 0.00 0.00 0.00 15 R 7.98 3.81 0.00 2.06 1.94 0.00 3.33 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 16 I 7.84 3.84 1.86 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 1.52 1.30 0.91 0.00 0.00 17 E 7.91 4.04 0.00 2.15 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 0.00 2.51 2.55 0.00 18 A 8.13 4.19 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 19 E 8.72 3.99 0.00 2.17 2.01 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 2.34 2.36 0.00 20 S 7.85 4.26 0.00 4.04 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 21 V 7.35 3.57 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 1.00 0.00 0.00 1.02 0.00 0.00 22 K 8.06 4.32 0.00 1.86 1.80 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 23 A 7.94 4.02 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 24 V 7.55 3.59 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 0.83 0.00 0.00 0.93 0.00 0.00 25 Q 8.04 4.17 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 26 E 8.13 4.06 0.00 2.15 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 2.36 2.55 0.00 27 K 7.95 4.31 0.00 2.12 2.15 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.53 7.81 *29 A 8.00 4.36 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 30 G 7.54 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 31 N 7.81 4.74 0.00 2.31 2.47 0.00 0.00 6.94 8.47 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 32 D 8.58 4.93 0.00 2.80 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 33 D 8.46 4.47 0.00 2.85 2.84 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 34 P 0.00 4.28 0.00 2.23 2.15 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 35 H 8.30 4.24 0.00 3.27 3.61 0.00 5.87 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 36 F 8.70 4.04 0.00 3.22 3.20 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 37 Q 8.35 3.99 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 38 T 7.79 3.86 4.33 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 1.19 0.00 0.00 39 R 7.84 3.75 0.00 1.71 1.74 0.00 2.96 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 40 A 7.88 3.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 3.97 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 1.18 0.00 0.00 42 V 7.56 3.58 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 1.00 0.00 0.00 0.95 0.00 0.00 43 I 7.82 3.73 1.78 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 1.35 0.57 0.87 0.00 0.00 44 K 7.82 3.90 0.00 1.85 1.80 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 E 8.05 3.98 0.00 2.27 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 2.28 2.37 0.00 46 Q 7.77 3.96 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 47 R 8.30 4.13 0.00 1.80 2.13 0.00 3.56 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 48 A 7.87 3.98 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 49 E 7.98 3.99 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 2.32 2.33 0.00 50 L 7.94 3.98 0.00 1.97 1.71 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.95 4.06 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 52 K 8.11 3.91 0.00 2.01 1.87 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 53 H 8.18 4.15 0.00 3.31 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.06 4.21 0.00 3.38 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.71 3.68 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 1.01 0.00 0.00 1.02 0.00 0.00 56 S 8.42 4.26 0.00 4.00 4.12 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 57 V 8.07 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 1.43 0.00 0.00 0.88 0.00 0.00 58 L 7.81 3.87 0.00 2.05 1.76 0.81 0.35 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 59 W 8.18 4.76 0.00 3.36 3.61 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 60 S 8.32 4.19 0.00 4.11 4.15 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 61 D 8.23 4.52 0.00 2.65 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 62 Y 7.33 3.65 0.00 1.80 2.48 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 63 F 7.74 3.77 0.00 2.95 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 0.00 0.00 0.00 64 K 8.12 4.27 0.00 1.58 1.60 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.21 7.81 65 P 0.00 4.49 0.00 2.15 2.18 0.00 3.55 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 66 P 0.00 4.36 0.00 2.13 2.22 0.00 3.46 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 67 H 7.81 4.27 0.00 2.85 3.10 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 68 F 7.71 4.56 0.00 3.10 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 69 E 7.77 4.16 0.00 2.26 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 0.00 2.33 2.38 0.00 70 K 7.52 4.23 0.00 1.83 1.78 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.66 1.20 7.81 71 Y 7.86 4.65 0.00 3.02 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 72 P 0.00 4.59 0.00 2.23 2.24 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 73 E 8.17 4.38 0.00 2.19 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 2.39 2.30 0.00 74 L 8.06 3.94 0.00 1.93 1.95 0.60 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.38 4.22 0.00 3.24 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.05 3.94 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 77 L 7.66 3.87 0.00 2.00 1.86 1.21 0.64 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 78 V 7.79 3.45 1.52 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 0.66 0.00 0.00 1.05 0.00 0.00 79 N 7.58 3.99 0.00 2.58 2.74 0.00 0.00 7.19 9.28 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 80 D 8.02 4.07 0.00 2.35 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 0.00 0.00 0.00 81 T 7.32 3.49 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 1.21 0.00 0.00 82 L 7.43 4.07 0.00 1.66 1.63 0.77 0.99 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 83 K 8.16 4.12 0.00 1.70 1.77 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.51 7.81 84 A 7.81 4.45 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.32 0.00 4.05 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 87 A 7.77 4.26 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 88 A 7.92 4.05 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 89 K 7.58 4.03 0.00 1.95 2.07 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.45 7.81 90 G 7.56 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.24 4.83 0.00 3.91 3.72 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 0.00 0.00 0.00 92 K 8.37 4.39 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.40 7.81 93 D 8.00 4.58 0.00 2.78 2.55 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 94 P 0.00 4.49 0.00 2.21 2.09 0.00 3.66 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 2.16 0.00 95 A 8.19 4.09 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 96 T 7.84 4.08 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 97 G 7.92 3.70 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 0.00 0.00 0.00 0.00 98 Q 8.12 4.10 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 99 K 8.01 3.90 0.00 2.08 2.03 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.27 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.44 7.81 100 A 8.01 4.21 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 0.00 101 L 7.90 4.04 0.00 1.94 1.74 0.99 1.00 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 0.00 102 D 8.42 4.38 0.00 2.76 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 0.00 103 Y 8.06 4.35 0.00 3.33 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 0.00 104 I 7.83 4.00 2.05 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 1.49 0.81 0.93 0.00 0.00 105 A 8.15 4.06 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 0.00 106 Q 7.88 4.03 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 107 I 7.54 3.85 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 1.16 0.00 0.00 108 D 8.51 4.43 0.00 2.97 2.95 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 0.00 0.00 0.00 109 K 8.02 4.14 0.00 2.03 2.08 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.58 7.81 110 I 7.71 3.74 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 -0.16 0.00 0.00 111 F 8.74 4.15 0.00 3.14 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 0.00 112 W 8.31 4.45 0.00 3.57 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.74 4.63 0.00 2.27 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 0.00 2.47 2.54 0.00 114 T 7.63 4.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 115 K 7.74 4.43 0.00 2.08 2.03 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.93 1.01 7.81 116 K 8.07 4.24 0.00 1.82 1.78 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.85 7.81 * Residues marked with a * may have inaccurate shift predictions.