NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9776 8.3549 109.7493 46.3708 0.0000 174.2708 0 H 4.6145 8.2394 123.3766 55.0131 29.6235 173.6030 2 Y 4.7190 8.5276 120.9231 56.4985 43.2242 173.2879 3 V 4.6405 7.9002 125.8151 61.3236 35.0679 173.9231 4 T 4.9500 8.8430 124.8140 61.8672 71.3319 173.2051 5 I 4.5559 8.7662 128.1914 59.9607 38.9252 174.9371 6 V 4.7292 8.8387 129.1473 61.6049 33.2839 174.0908 7 Y 5.1762 9.5610 126.4650 56.7516 40.0527 174.6095 8 A 4.9844 9.2639 125.0638 50.2113 22.6099 174.7103 9 S 4.9522 8.8097 117.7822 56.8300 63.8697 172.9759 10 V 4.5395 8.5622 127.8443 61.0036 33.0568 176.0107 11 K 4.1527 8.8044 125.3825 56.4898 32.5895 178.2202 12 T 3.8008 8.6546 117.2417 65.3047 67.2284 174.3568 13 D 4.6752 7.9904 117.4274 53.6448 39.8682 176.3730 14 K 4.3071 8.3117 118.6176 55.9384 33.7618 177.9450 15 T 4.0945 8.1347 112.3462 65.3221 68.5552 176.1059 16 E 4.0216 8.1730 121.0783 58.6419 29.5201 178.9514 17 A 3.7234 7.6545 120.3916 55.0620 18.3569 179.3047 18 F 4.4580 8.4409 119.5749 61.4087 39.4474 177.2965 19 K 3.7984 8.2258 119.4118 59.1091 31.7546 178.4480 20 E 3.8884 8.0663 118.6354 59.4021 29.7317 178.4090 21 A 4.2579 8.0487 119.2839 55.5687 18.8012 179.3984 22 T 4.0252 7.9136 114.0666 65.9608 68.4349 177.4550 23 R 4.0480 7.7367 118.1905 56.9723 29.8138 177.5123 *25 N 4.5637 8.0617 116.2273 53.4617 40.8885 175.6761 26 H 3.9638 7.9995 116.6023 59.3365 29.6854 176.5231 27 E 3.8079 7.8651 119.4585 59.6107 29.3614 178.4960 28 Q 4.0292 7.7371 117.0583 58.5508 28.7549 178.3967 29 S 4.0256 7.6589 116.0539 61.1430 62.7692 176.3624 30 I 4.0134 7.7356 116.6657 61.8743 38.5291 176.9392 31 R 4.4469 7.1611 118.1321 54.3010 28.3379 174.8558 32 E 4.6105 7.4436 121.0478 53.9624 33.1037 172.6883 33 P 4.3788 0.0000 0.0000 64.6649 31.9466 176.6803 34 G 4.3179 9.0133 110.4667 46.4516 0.0000 172.7890 35 N 4.3273 7.8678 118.6286 52.9294 40.0091 173.4024 *37 R 4.1138 8.1347 118.4713 55.6249 31.6117 175.5419 38 F 4.7712 8.2276 124.3309 56.7438 38.6153 173.2765 39 D 4.7329 8.4823 121.7806 53.7590 42.7561 176.6817 40 I 4.9119 8.3533 123.6327 59.5277 39.4203 174.9054 41 L 4.9278 9.5196 126.9540 52.8302 45.2912 175.2085 42 Q 4.5938 8.4293 122.7473 53.8298 31.4646 174.9910 43 S 4.1898 8.8373 121.7992 58.3173 62.5043 174.2406 44 A 4.1090 8.6438 129.3080 55.1860 18.4628 178.5738 45 D 4.4085 7.9253 114.3108 56.3748 41.5385 176.0798 46 D 4.3904 8.1167 119.2780 52.1079 42.2646 173.6272 47 P 4.1594 0.0000 0.0000 65.3395 31.3446 177.3089 48 T 4.3856 8.4035 108.9508 62.7191 70.4042 174.3538 49 R 5.0555 7.8460 123.1100 54.8351 31.9850 175.4886 50 F 5.4330 9.3744 122.0764 55.7048 43.7338 174.2353 51 V 4.8773 9.0157 119.8037 61.3570 35.1315 173.9451 52 L 4.7497 9.1867 128.0761 53.4789 43.5934 174.9870 53 Y 4.5112 8.9941 127.2524 56.0964 39.5403 173.5288 54 E 4.4641 8.7966 126.6709 54.4126 31.0926 174.7160 55 A 5.1925 8.6579 127.0160 50.1923 21.5408 174.7718 56 Y 4.9962 9.2602 118.8578 55.9414 42.2626 176.7890 57 K 4.2952 9.4818 121.4665 59.3131 32.5158 177.6572 58 T 4.7490 7.8826 107.8047 58.6611 72.2126 174.6000 59 R 2.7234 8.2973 121.8764 58.9357 29.7780 178.3828 60 K 3.7150 7.8709 119.0545 59.6230 32.0662 178.2520 61 D 4.2009 7.8601 118.2943 57.3042 40.7969 178.6368 62 A 2.7306 7.1398 120.6527 54.6174 18.0436 179.3533 63 A 3.7812 8.0726 119.4708 55.3504 18.4694 179.6953 64 A 3.9725 7.6241 118.9030 55.0066 18.4938 179.3466 65 H 4.0694 7.8073 117.3526 59.2610 29.7552 177.2558 66 K 3.3071 7.0996 118.2991 57.8231 31.8928 178.0486 67 E 4.3107 7.5276 117.6475 56.2077 30.2797 176.5991 68 T 4.1560 7.1516 109.9500 60.7801 70.1639 175.4654 69 A 3.9925 8.8088 125.8834 55.8962 18.4360 179.9221 70 H 4.2215 8.2558 113.0328 59.0635 28.4205 176.9580 71 Y 4.1148 7.6269 121.7903 60.3206 38.5514 177.9548 72 L 3.8279 7.8616 119.7830 57.9947 41.7901 179.1375 73 T 3.7609 8.1882 116.0769 66.6704 68.4604 175.8413 74 W 4.0871 8.1806 129.6560 60.5812 30.4598 177.6096 75 R 3.1321 7.6465 117.6138 59.6704 29.7858 177.7803 76 D 4.2648 7.7357 118.1878 57.3865 40.5491 178.9694 77 T 3.5278 7.3060 115.2211 66.5354 68.8250 176.8039 78 V 2.7097 6.8836 112.5479 62.1824 31.4667 177.9799 79 A 3.8087 6.5698 120.8114 55.1924 18.1419 178.1975 80 D 4.4758 7.3180 112.3206 54.9389 41.4587 177.0825 81 W 4.6945 8.0282 121.2442 54.9279 27.9825 176.1510 *83 A 4.2801 8.0309 124.3871 51.6394 20.1503 176.3615 84 E 4.7168 7.7344 112.2941 54.2419 33.9316 173.1348 85 P 4.2175 0.0000 0.0000 63.2459 31.8245 176.6969 86 R 4.5082 8.5202 121.2222 56.3211 31.1365 176.0458 87 K 4.7268 9.1154 121.6649 54.5685 35.5373 175.2187 88 G 4.5045 8.9754 111.7497 44.3662 0.0000 172.4227 89 V 4.5553 8.8788 124.7648 61.0881 34.2604 174.3767 90 I 4.6108 8.2490 128.6766 60.8506 38.5090 174.7306 91 Y 4.7529 9.1553 122.9333 56.2650 42.5558 174.3432 92 G 4.3638 8.7609 107.9371 44.4857 0.0000 173.3020 93 G 4.0173 8.5765 110.2280 45.2831 0.0000 173.9421 94 L 4.3940 8.5134 124.5052 54.9732 41.8890 176.5635 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 G 8.35 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 0.00 0.00 0.00 0 H 8.24 4.61 0.00 3.06 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.53 4.72 0.00 3.11 2.85 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 0.00 0.00 0.00 3 V 7.90 4.64 1.98 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 0.25 0.00 0.00 0.79 0.00 0.00 4 T 8.84 4.95 4.25 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 1.26 0.00 0.00 5 I 8.77 4.56 1.99 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 1.19 0.73 0.42 0.00 0.00 6 V 8.84 4.73 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 1.22 0.00 0.00 1.07 0.00 0.00 7 Y 9.56 5.18 0.00 2.97 2.94 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 8 A 9.26 4.98 1.21 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 0.00 0.00 0.00 9 S 8.81 4.95 0.00 3.94 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 10 V 8.56 4.54 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 0.90 0.00 0.00 0.18 0.00 0.00 11 K 8.80 4.15 0.00 1.89 1.74 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.60 7.81 12 T 8.65 3.80 4.25 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 1.22 0.00 0.00 13 D 7.99 4.68 0.00 2.78 2.73 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 14 K 8.31 4.31 0.00 1.81 1.42 0.00 0.61 0.00 0.00 1.03 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.39 7.81 15 T 8.13 4.09 4.57 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 1.45 0.00 0.00 16 E 8.17 4.02 0.00 1.95 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 2.41 2.32 0.00 17 A 7.65 3.72 0.11 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 18 F 8.44 4.46 0.00 3.22 3.06 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 19 K 8.23 3.80 0.00 2.02 1.99 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 20 E 8.07 3.89 0.00 2.09 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 0.00 2.39 2.36 0.00 21 A 8.05 4.26 1.49 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 22 T 7.91 4.03 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 0.97 0.00 0.00 23 R 7.74 4.05 0.00 2.07 2.02 0.00 3.30 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 *25 N 8.06 4.56 0.00 2.63 2.76 0.00 0.00 6.71 7.89 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 26 H 8.00 3.96 0.00 3.42 3.48 0.00 5.85 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 27 E 7.87 3.81 0.00 2.01 1.93 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 2.26 2.33 0.00 28 Q 7.74 4.03 0.00 1.75 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 29 S 7.66 4.03 0.00 2.72 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 30 I 7.74 4.01 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.80 0.00 0.00 31 R 7.16 4.45 0.00 1.88 1.95 0.00 2.96 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 32 E 7.44 4.61 0.00 1.99 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 2.32 2.34 0.00 33 P 0.00 4.38 0.00 2.10 2.02 0.00 3.76 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 2.12 0.00 34 G 9.01 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 0.00 0.00 0.00 0.00 35 N 7.87 4.33 0.00 2.64 2.66 0.00 0.00 7.06 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 *37 R 8.13 4.11 0.00 1.82 2.01 0.00 3.19 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 38 F 8.23 4.77 0.00 2.85 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 39 D 8.48 4.73 0.00 2.62 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 40 I 8.35 4.91 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 1.03 0.00 0.00 41 L 9.52 4.93 0.00 1.53 1.50 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.43 4.59 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.93 0.00 0.00 0.00 0.00 0.00 1.89 1.35 0.00 43 S 8.84 4.19 0.00 3.83 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 44 A 8.64 4.11 1.26 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 45 D 7.93 4.41 0.00 2.66 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 46 D 8.12 4.39 0.00 2.60 2.44 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 47 P 0.00 4.16 0.00 2.21 2.15 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 48 T 8.40 4.39 4.56 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 1.27 0.00 0.00 49 R 7.85 5.06 0.00 1.69 1.91 0.00 3.27 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 50 F 9.37 5.43 0.00 3.09 3.21 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 0.00 51 V 9.02 4.88 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 0.84 0.00 0.00 0.77 0.00 0.00 52 L 9.19 4.75 0.00 1.54 1.20 1.26 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.99 4.51 0.00 2.83 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 54 E 8.80 4.46 0.00 1.89 1.98 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 1.47 2.00 0.00 55 A 8.66 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.26 5.00 0.00 2.95 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 57 K 9.48 4.30 0.00 1.79 1.93 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.58 7.81 58 T 7.88 4.75 4.19 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 1.21 0.00 0.00 59 R 8.30 2.72 0.00 1.12 1.60 0.00 2.99 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 60 K 7.87 3.71 0.00 1.75 1.71 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 61 D 7.86 4.20 0.00 2.96 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 62 A 7.14 2.73 1.15 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 0.00 0.00 63 A 8.07 3.78 1.21 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 0.00 0.00 0.00 64 A 7.62 3.97 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 65 H 7.81 4.07 0.00 3.19 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.10 3.31 0.00 1.56 1.62 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 1.11 7.81 67 E 7.53 4.31 0.00 2.04 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 2.25 2.41 0.00 68 T 7.15 4.16 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 1.25 0.00 0.00 69 A 8.81 3.99 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 70 H 8.26 4.22 0.00 3.37 3.57 0.00 5.46 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 71 Y 7.63 4.11 0.00 2.82 2.94 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 72 L 7.86 3.83 0.00 1.81 1.69 0.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.19 3.76 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 1.22 0.00 0.00 74 W 8.18 4.09 0.00 3.34 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 75 R 7.65 3.13 0.00 1.11 1.75 0.00 3.35 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 76 D 7.74 4.26 0.00 2.87 2.54 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 77 T 7.31 3.53 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 1.00 0.00 0.00 78 V 6.88 2.71 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 0.45 0.00 0.00 0.21 0.00 0.00 79 A 6.57 3.81 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 80 D 7.32 4.48 0.00 2.46 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 81 W 8.03 4.69 0.00 3.39 2.96 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 0.00 0.00 0.00 *83 A 8.03 4.28 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 84 E 7.73 4.72 0.00 2.08 1.83 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 2.26 2.28 0.00 85 P 0.00 4.22 0.00 2.06 2.05 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 86 R 8.52 4.51 0.00 1.81 2.04 0.00 3.50 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 87 K 9.12 4.73 0.00 1.92 1.80 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 88 G 8.98 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.88 4.56 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 0.82 0.00 0.00 1.09 0.00 0.00 90 I 8.25 4.61 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.68 0.00 0.00 91 Y 9.16 4.75 0.00 2.65 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 92 G 8.76 4.36 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 0.00 93 G 8.58 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 0.00 0.00 0.00 94 L 8.51 4.39 0.00 1.65 1.61 1.01 0.93 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 * Residues marked with a * may have inaccurate shift predictions.