NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3653 8.3349 115.4255 58.9778 64.4084 174.7637 3 H 4.5108 8.7053 110.1848 53.6661 28.3034 174.2722 *5 H 4.7641 8.7006 114.4775 55.0655 31.5045 173.8299 6 R 4.3968 7.3733 118.2053 56.3984 31.8948 178.4002 7 V 3.6116 7.5233 117.8980 64.1460 31.4813 178.3110 8 I 2.4874 7.2884 112.6723 62.4077 37.3378 176.0310 9 N 4.6973 7.4023 117.0566 53.0302 39.1816 174.4167 10 H 4.3357 7.9974 120.1663 54.9773 30.5689 174.2317 11 P 4.0378 0.0000 0.0000 65.7691 31.3586 176.6817 12 Y 4.2321 8.3239 113.1925 57.9688 38.3365 174.1282 13 Y 4.8220 7.7767 122.4297 56.7380 39.6830 174.6048 14 F 4.0093 7.6636 125.0304 54.7398 42.9320 173.5442 15 P 4.3486 0.0000 0.0000 62.6384 30.8308 175.6214 16 F 5.3332 7.2656 115.7190 56.7192 42.1533 176.2238 17 N 4.9433 9.0488 121.9414 51.4314 40.4702 176.2411 18 G 3.6635 8.4837 105.9902 48.0467 0.0000 175.5428 19 K 3.8635 7.9789 121.6648 59.3021 32.2980 178.7670 20 Q 3.7027 8.5824 118.2748 58.6257 28.4642 178.7193 21 A 3.8006 7.7875 121.8900 55.1034 18.3496 179.5417 22 E 2.8021 7.8076 117.0583 59.2136 29.1438 179.3612 23 D 4.2201 7.6931 118.1032 57.3211 40.8939 177.8812 24 Y 4.0189 7.5279 119.1838 60.5593 39.1459 177.6216 25 L 4.1023 7.9741 118.5770 56.0535 41.6188 178.9077 26 R 4.0925 7.4690 119.5074 59.3025 29.9819 177.2873 27 S 4.4238 7.7663 108.4611 58.3852 63.6381 174.0010 28 K 4.2467 7.4419 121.3407 55.3628 33.0831 176.0302 29 E 4.2132 8.3223 120.3349 55.4178 30.2838 175.7344 30 R 4.1754 8.3733 123.5057 58.1443 30.4054 176.9553 31 G 4.3444 9.3441 114.3253 45.2051 0.0000 173.2167 32 D 4.9762 8.1718 120.0697 54.8228 42.5724 174.7342 33 F 5.5662 8.1989 116.9239 56.4975 41.2177 173.0587 34 V 5.0429 9.1227 110.9827 60.1549 36.4514 174.4100 35 I 5.2054 9.0597 123.7471 59.9316 39.8822 175.1134 36 R 4.8559 8.9108 121.4384 54.7060 33.4266 174.2218 37 Q 4.6658 8.6813 118.1692 56.3190 29.7697 176.0549 38 S 4.7750 8.3888 114.7979 56.6925 65.7623 174.6513 39 S 4.4733 8.9769 120.1635 59.5467 62.9525 175.3198 40 R 3.9131 8.0088 120.9990 57.1325 30.2532 176.7841 41 G 4.3425 7.0443 108.8521 44.6483 0.0000 173.1654 42 D 4.4717 8.3824 119.8001 56.4102 41.0645 177.2729 43 D 4.9658 8.1236 118.0218 53.2622 39.8683 174.9819 44 H 5.4967 7.9272 115.0498 55.0739 32.2684 172.7327 45 L 5.0235 8.8649 118.8815 53.5841 46.9566 174.8690 46 A 5.1977 9.2217 120.4840 50.5423 22.9757 175.0760 47 I 4.8734 9.0317 121.3618 59.7878 40.2635 174.8266 48 T 5.1927 8.8742 123.6040 61.5156 71.1854 173.2508 49 W 5.8292 9.0900 122.9237 54.5434 32.5171 174.1451 50 K 4.5579 9.2062 123.1392 55.7957 32.1025 177.5365 51 L 3.7383 8.2647 129.0040 57.2686 42.1539 176.0375 52 D 4.2302 7.1449 115.2486 53.1611 43.9758 173.8549 53 K 3.8496 9.6066 122.0723 58.3644 32.0475 175.7660 54 D 4.1858 8.6020 124.7253 54.8660 38.7178 172.8450 55 L 4.3896 7.0825 119.9749 53.2507 44.7351 175.1579 56 F 5.2291 8.5454 123.7278 55.6728 43.0070 174.4116 57 Q 4.5971 8.4920 118.9889 54.3834 32.4880 174.1833 58 H 5.3809 8.9063 119.4014 54.0562 31.3790 173.4502 59 V 4.5438 9.2044 124.0157 60.9320 34.2074 174.0943 60 D 5.0634 8.8932 127.4948 54.1815 42.3616 175.0871 61 I 4.7788 8.8181 125.8740 59.5265 40.4499 174.1753 62 Q 4.6047 9.0832 128.0092 54.2048 31.7817 174.5254 63 E 4.9186 8.2978 127.7401 54.0451 31.1015 176.6673 *73 G 3.9875 8.3073 109.4988 45.5084 0.0000 172.7906 74 K 4.5934 8.6345 122.8853 54.5265 34.7627 175.5907 75 V 4.6243 8.1155 115.1973 59.5893 35.7366 174.1462 76 L 4.8936 9.1526 122.5472 53.1573 44.1274 175.7376 77 V 4.8333 9.0671 124.5448 61.2537 33.9414 174.6386 78 V 4.6452 8.8270 127.4779 61.1428 34.3909 175.2090 79 E 3.7907 10.0598 129.9247 57.5133 26.9094 175.9188 80 G 4.0437 8.4584 106.5623 45.4551 0.0000 173.9267 81 Q 4.1599 7.8972 119.4882 54.9308 29.6564 174.8509 82 R 4.8277 8.0502 121.3890 54.7378 31.8296 175.3642 83 Y 4.8164 9.0460 120.1283 56.6508 40.9738 176.1991 84 H 4.3688 9.6887 119.8480 56.6506 30.0238 175.1787 85 D 4.7909 7.9450 117.8147 51.0796 44.5809 175.3171 86 L 3.8436 8.6179 126.4510 58.5992 41.9304 179.0522 87 D 4.4618 9.6063 119.8100 57.6182 40.7192 178.9179 88 Q 4.0359 8.0725 118.4299 58.9419 28.6944 178.9498 89 I 3.1102 7.4262 120.8431 64.1087 37.0966 178.4513 90 I 3.6264 7.5554 120.1858 64.3576 36.8811 178.4023 91 V 3.5809 8.0851 119.3798 65.9531 31.3351 177.8510 92 E 3.7580 7.9393 118.1783 59.7838 29.3357 179.0911 93 Y 3.3866 7.6014 116.1488 60.1732 37.5826 178.3256 94 L 4.1960 7.8864 120.4770 57.7678 41.7985 179.1998 95 Q 3.9515 8.2249 118.3138 59.0374 28.5047 178.5068 96 N 4.1507 7.9375 117.9121 56.5114 38.6705 176.8246 97 K 4.0473 7.7351 120.0904 59.4747 32.6084 178.6229 98 I 3.8978 8.1527 120.5201 64.5502 36.8491 178.6517 99 R 4.0092 7.8339 117.5581 59.0056 29.9491 178.3118 100 L 4.3054 7.4489 116.1093 54.4408 42.1325 177.2399 101 L 4.2063 7.3278 120.5542 54.7554 42.2454 176.6504 102 N 4.5308 8.4574 120.1834 53.9264 39.1667 173.7722 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 S 8.33 4.37 0.00 4.37 3.81 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 3 H 8.71 4.51 0.00 3.32 3.26 0.00 5.65 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 *5 H 8.70 4.76 0.00 3.26 3.42 0.00 5.49 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.37 4.40 0.00 1.76 1.90 0.00 3.07 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.00 7 V 7.52 3.61 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 0.57 0.00 0.00 0.90 0.00 0.00 8 I 7.29 2.49 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.43 0.51 0.00 0.00 9 N 7.40 4.70 0.00 2.60 2.81 0.00 0.00 6.92 8.56 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 10 H 8.00 4.34 0.00 3.23 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.78 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 4.04 0.00 2.12 2.03 0.00 3.32 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 12 Y 8.32 4.23 0.00 3.20 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 13 Y 7.78 4.82 0.00 2.94 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 14 F 7.66 4.01 0.00 2.33 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 15 P 0.00 4.35 0.00 2.12 2.03 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 16 F 7.27 5.33 0.00 2.96 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 0.00 17 N 9.05 4.94 0.00 2.98 2.99 0.00 0.00 7.11 7.75 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 18 G 8.48 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 0.00 0.00 0.00 19 K 7.98 3.86 0.00 1.78 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 20 Q 8.58 3.70 0.00 2.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 21 A 7.79 3.80 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 22 E 7.81 2.80 0.00 1.79 1.12 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 1.60 2.34 0.00 23 D 7.69 4.22 0.00 2.58 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 24 Y 7.53 4.02 0.00 2.41 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 25 L 7.97 4.10 0.00 1.71 1.87 1.11 0.79 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 26 R 7.47 4.09 0.00 1.93 1.97 0.00 3.26 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 27 S 7.77 4.42 0.00 3.95 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 28 K 7.44 4.25 0.00 1.92 1.91 0.00 1.69 0.00 0.00 1.43 0.00 0.00 2.51 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.25 7.81 29 E 8.32 4.21 0.00 2.08 1.87 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 2.42 2.41 0.00 30 R 8.37 4.18 0.00 1.85 1.90 0.00 3.35 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 31 G 9.34 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 0.00 0.00 0.00 0.00 32 D 8.17 4.98 0.00 3.07 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 33 F 8.20 5.57 0.00 3.24 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.12 5.04 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 0.41 0.00 0.00 1.06 0.00 0.00 35 I 9.06 5.21 2.10 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 1.56 1.21 1.05 0.00 0.00 36 R 8.91 4.86 0.00 1.94 1.95 0.00 2.98 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 37 Q 8.68 4.67 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.72 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 38 S 8.39 4.78 0.00 3.90 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 39 S 8.98 4.47 0.00 4.02 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 40 R 8.01 3.91 0.00 1.71 1.61 0.00 3.42 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 41 G 7.04 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 0.00 0.00 0.00 0.00 42 D 8.38 4.47 0.00 2.71 2.77 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 43 D 8.12 4.97 0.00 2.88 2.87 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 44 H 7.93 5.50 0.00 3.23 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.86 5.02 0.00 1.59 1.59 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.22 5.20 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 47 I 9.03 4.87 1.68 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.89 0.42 0.00 0.00 48 T 8.87 5.19 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 1.08 0.00 0.00 49 W 9.09 5.83 0.00 3.76 3.17 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 50 K 9.21 4.56 0.00 2.15 1.92 0.00 1.98 0.00 0.00 1.86 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.18 7.81 51 L 8.26 3.74 0.00 1.37 1.46 -1.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.14 4.23 0.00 2.52 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 53 K 9.61 3.85 0.00 1.70 1.66 0.00 1.97 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.39 7.81 54 D 8.60 4.19 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.08 4.39 0.00 1.47 1.27 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.55 5.23 0.00 2.98 2.72 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 57 Q 8.49 4.60 0.00 0.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 58 H 8.91 5.38 0.00 3.05 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.20 4.54 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 0.97 0.00 0.00 1.26 0.00 0.00 60 D 8.89 5.06 0.00 2.79 2.62 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 61 I 8.82 4.78 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.92 0.00 0.00 62 Q 9.08 4.60 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.12 1.80 0.00 63 E 8.30 4.92 0.00 2.03 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 2.30 2.15 0.00 *73 G 8.31 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.63 4.59 0.00 1.72 1.72 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 75 V 8.12 4.62 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 0.58 0.00 0.00 0.90 0.00 0.00 76 L 9.15 4.89 0.00 1.62 1.59 0.74 0.84 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 77 V 9.07 4.83 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 1.04 0.00 0.00 0.94 0.00 0.00 78 V 8.83 4.65 2.41 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 1.07 0.00 0.00 1.00 0.00 0.00 79 E 10.06 3.79 0.00 2.20 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 0.00 2.32 2.41 0.00 80 G 8.46 4.04 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 0.00 0.00 0.00 81 Q 7.90 4.16 0.00 2.29 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 82 R 8.05 4.83 0.00 1.67 1.77 0.00 3.11 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 83 Y 9.05 4.82 0.00 2.98 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 9.69 4.37 0.00 3.09 3.42 0.00 5.81 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 85 D 7.95 4.79 0.00 2.68 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 86 L 8.62 3.84 0.00 1.72 1.65 0.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.61 4.46 0.00 2.75 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 88 Q 8.07 4.04 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 89 I 7.43 3.11 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.24 0.73 0.00 0.00 90 I 7.56 3.63 2.02 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 1.64 1.07 0.78 0.00 0.00 91 V 8.09 3.58 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 1.00 0.00 0.00 92 E 7.94 3.76 0.00 1.90 1.56 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 2.55 2.61 0.00 93 Y 7.60 3.39 0.00 1.74 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 0.00 0.00 0.00 0.00 94 L 7.89 4.20 0.00 1.88 1.77 0.98 0.93 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 95 Q 8.22 3.95 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 96 N 7.94 4.15 0.00 2.40 2.58 0.00 0.00 6.89 5.69 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 97 K 7.74 4.05 0.00 2.21 2.15 0.00 2.19 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.84 7.81 98 I 8.15 3.90 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.92 0.00 0.00 99 R 7.83 4.01 0.00 1.93 1.99 0.00 3.13 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 100 L 7.45 4.31 0.00 1.82 1.78 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.33 4.21 0.00 1.76 1.63 0.95 0.79 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 0.00 102 N 8.46 4.53 0.00 2.61 2.61 0.00 0.00 6.94 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 * Residues marked with a * may have inaccurate shift predictions.