NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1820 8.2493 123.5830 52.4687 18.6236 176.4466 *2 T 4.2740 8.0037 108.8578 60.9743 70.9104 174.1758 3 G 4.3321 7.5398 110.9738 43.1905 0.0000 170.6753 4 P 4.4589 0.0000 0.0000 62.4411 31.8397 177.0235 5 K 4.2736 8.3274 119.2702 55.9857 30.4613 177.0446 6 Q 4.4377 8.1488 122.0156 54.9742 30.0816 175.7714 7 Q 4.3984 8.1278 118.9139 54.2102 30.0202 174.4333 8 P 4.5638 0.0000 0.0000 61.7038 32.4727 176.0515 9 L 4.0390 8.2358 119.1498 54.2294 42.2812 175.8373 10 P 4.3564 0.0000 0.0000 62.1634 32.2675 175.8050 11 P 4.5614 0.0000 0.0000 64.9380 31.3995 177.8212 12 D 4.5926 7.9680 115.1442 54.3241 40.1196 176.9680 13 V 3.9220 7.6986 120.0345 64.2066 32.0380 175.7572 14 E 4.0924 7.6395 119.2588 57.9344 29.5668 177.7901 15 G 3.8347 8.8172 110.4473 45.9921 0.0000 173.4373 16 R 4.4036 7.7563 120.2378 54.0589 29.8346 177.0898 17 E 4.0386 8.6981 122.6258 58.6315 29.7896 177.6964 18 D 4.5212 7.9359 116.5735 53.5268 40.2653 176.2587 19 A 4.1831 7.6488 124.0083 51.9621 18.9887 176.8798 20 I 4.4752 7.9867 122.6472 59.0783 40.1029 174.9229 21 E 4.0984 8.7484 126.6336 55.9159 30.1662 176.3737 22 V 3.8559 8.5592 126.6128 65.3408 32.0601 175.1305 23 L 5.2650 7.1170 115.5105 55.8091 43.1156 174.4162 24 R 4.6113 8.3377 117.9338 54.4067 33.9994 173.9276 25 A 5.0947 8.4365 125.0480 50.0431 21.6952 175.0829 26 F 4.7567 9.4050 120.9153 55.5005 42.8726 174.4650 27 V 4.6391 8.3937 122.1179 61.8727 32.8853 175.2594 28 L 4.3892 9.1350 128.6088 55.3373 45.2603 174.7928 29 D 4.5075 9.8204 126.3305 55.5984 38.3989 174.5310 30 G 3.9427 9.3431 103.5119 45.8071 0.0000 174.0502 31 G 4.0948 8.0609 107.9950 44.3443 0.0000 171.5663 32 L 5.3307 8.3743 117.8721 52.9301 45.0458 176.2920 33 S 4.7415 9.3868 116.7540 56.6378 65.3525 172.6803 34 I 5.0648 8.4986 126.7538 59.4259 40.5364 174.4449 35 A 4.5780 8.8158 128.8048 50.2440 20.3023 175.1001 36 F 5.4177 8.8297 124.8109 57.3732 39.8330 177.7545 *38 R 4.4332 8.6382 121.5580 57.0961 31.5047 173.7010 39 A 4.4361 7.9339 119.2126 52.0535 19.2233 176.6391 40 F 4.9228 8.9410 121.9914 58.5474 40.3332 175.7022 41 E 3.7893 8.3103 118.2336 55.7924 27.9513 173.6860 42 D 4.2140 7.0259 118.3012 51.7583 42.6002 174.6765 43 P 4.7010 0.0000 0.0000 66.1736 31.5739 179.0438 44 E 4.3057 7.7276 117.7882 56.1399 28.7097 178.9193 *46 W 4.7895 8.2631 120.9067 56.8297 31.4195 178.1197 47 G 3.6878 8.5245 105.0573 47.8353 0.0000 175.5929 48 L 3.9713 8.0620 121.7047 57.4147 41.5924 179.4920 49 L 3.9348 7.8114 119.5750 58.0724 42.0834 178.7080 50 L 3.9836 8.2295 119.1767 57.8836 41.6064 179.6956 51 V 3.5209 7.9277 118.1234 66.0986 31.4887 177.5833 52 D 4.3228 8.2114 117.7277 57.2730 40.9604 178.2651 53 I 3.6993 8.0182 120.2610 64.3235 37.1514 178.2507 54 A 3.9705 8.1805 121.7644 55.2927 18.1727 179.9780 55 R 3.8879 8.1598 116.6164 59.4104 30.0547 178.5966 56 H 4.0515 8.3425 117.8856 59.3753 29.8099 177.0920 57 A 3.9598 8.3937 122.5061 55.1059 18.1296 179.4981 58 A 4.0380 8.1861 119.2536 55.3982 18.5108 180.1248 59 R 3.8780 8.1676 116.6547 59.5718 29.9234 179.5396 60 S 4.1444 8.0330 114.0569 61.6083 63.0846 175.8471 61 Y 4.4387 8.3956 122.2345 60.7539 38.3630 177.7004 62 A 4.3572 7.9946 121.9874 54.7915 18.5657 179.5806 63 R 4.1243 7.9921 114.8058 58.0637 30.1140 177.4230 64 E 4.6791 7.8097 116.9960 55.6463 29.9994 175.0315 65 S 4.5639 7.4577 112.7747 57.3999 65.6454 173.6973 66 E 4.0095 8.1003 118.2493 57.6382 29.5386 177.1489 67 Y 4.5023 6.9709 117.9381 57.4548 38.7534 175.5701 68 T 4.2504 8.8141 114.6358 61.0948 71.0350 175.4110 69 E 3.9267 8.6511 121.3739 59.6517 29.5512 178.5268 70 D 4.3364 8.0289 118.2877 57.4717 40.9549 178.5069 71 E 3.9225 8.1716 118.5931 59.1854 29.3722 179.2151 72 A 3.5685 8.2954 121.2977 54.8738 18.3488 179.3342 73 L 3.8742 8.1557 119.1237 58.2808 42.1003 178.6838 74 E 3.9005 8.0612 119.1234 59.5302 29.3128 179.1159 75 R 3.8871 7.6368 116.6776 59.2614 30.1742 178.7670 76 I 3.8960 7.8573 118.8430 64.4563 37.3566 178.3662 77 V 3.9017 8.1421 119.3021 65.8376 31.3064 178.1532 78 E 4.0267 8.2142 114.6529 57.3204 29.1567 178.4355 *80 F 4.7188 7.9344 122.6877 58.4123 41.1193 176.9419 81 E 3.7123 8.6709 118.6699 59.1655 29.3663 178.9348 82 A 4.0789 8.0531 120.8115 55.2346 18.5598 179.3672 83 E 3.9178 8.0125 117.0273 58.8621 29.5369 178.4645 84 L 3.8078 7.3561 119.8837 57.9226 42.0955 178.7709 85 S 4.2407 7.5755 113.9266 59.6877 62.8466 174.5851 86 R 4.0233 7.1568 123.0381 54.9002 30.2216 174.4894 87 P 4.4476 0.0000 0.0000 63.2168 32.1379 176.4218 88 T 3.9285 8.3599 116.2694 66.1228 68.8355 176.2306 *92 A 4.3155 7.7451 120.6012 51.5898 20.3841 176.1679 93 T 4.6638 7.7003 111.6024 61.6815 71.9790 173.2968 94 T 4.6834 8.5061 122.1499 61.5514 71.1955 173.3521 95 E 4.7480 8.5117 122.4421 54.3810 32.7587 174.7718 96 R 4.5747 8.4554 119.8330 54.8206 32.8737 174.4135 97 T 4.6797 8.0491 121.3366 61.8545 71.4859 173.9439 98 Q 4.2422 8.4475 122.2284 56.9916 27.9428 173.7157 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 0 A 8.25 4.18 1.29 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 0.00 0.00 *2 T 8.00 4.27 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 1.21 0.00 0.00 3 G 7.54 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 0.00 0.00 0.00 0.00 4 P 0.00 4.46 0.00 2.40 2.07 0.00 3.75 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 2.00 1.77 0.00 5 K 8.33 4.27 0.00 1.82 1.85 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 6 Q 8.15 4.44 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.87 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 7 Q 8.13 4.40 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.06 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 8 P 0.00 4.56 0.00 2.17 2.04 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 9 L 8.24 4.04 0.00 1.65 1.64 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.36 0.00 2.25 1.95 0.00 3.58 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 2.08 2.08 0.00 11 P 0.00 4.56 0.00 2.16 2.09 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 12 D 7.97 4.59 0.00 2.77 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 13 V 7.70 3.92 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 0.95 0.00 0.00 0.90 0.00 0.00 14 E 7.64 4.09 0.00 2.29 1.88 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 2.33 2.45 0.00 15 G 8.82 3.83 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 0.00 0.00 0.00 16 R 7.76 4.40 0.00 1.98 2.06 0.00 3.29 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 17 E 8.70 4.04 0.00 2.07 2.09 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 2.27 2.24 0.00 18 D 7.94 4.52 0.00 2.79 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 19 A 7.65 4.18 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 20 I 7.99 4.48 1.84 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 1.44 0.98 0.92 0.00 0.00 21 E 8.75 4.10 0.00 1.93 1.88 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 2.30 2.28 0.00 22 V 8.56 3.86 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 0.70 0.00 0.00 0.73 0.00 0.00 23 L 7.12 5.27 0.00 1.49 1.70 1.01 0.68 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 24 R 8.34 4.61 0.00 1.84 1.88 0.00 3.28 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 25 A 8.44 5.09 1.09 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 26 F 9.41 4.76 0.00 3.07 2.93 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 27 V 8.39 4.64 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 0.81 0.00 0.00 0.94 0.00 0.00 28 L 9.14 4.39 0.00 1.76 1.48 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 D 9.82 4.51 0.00 2.84 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 30 G 9.34 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 0.00 0.00 0.00 31 G 8.06 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 32 L 8.37 5.33 0.00 1.54 1.59 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 S 9.39 4.74 0.00 3.82 3.71 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 34 I 8.50 5.06 1.66 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 1.21 0.79 -0.01 0.00 0.00 35 A 8.82 4.58 1.27 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 0.00 0.00 36 F 8.83 5.42 0.00 3.09 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 *38 R 8.64 4.43 0.00 1.85 1.89 0.00 3.26 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 39 A 7.93 4.44 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 40 F 8.94 4.92 0.00 3.01 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 41 E 8.31 3.79 0.00 1.87 1.69 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 0.00 2.15 2.20 0.00 42 D 7.03 4.21 0.00 2.78 2.47 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 43 P 0.00 4.70 0.00 2.39 2.65 0.00 3.77 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 44 E 7.73 4.31 0.00 2.35 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 2.33 2.35 0.00 *46 W 8.26 4.79 0.00 3.66 3.36 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 47 G 8.52 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.06 3.97 0.00 1.64 1.69 0.86 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.81 3.93 0.00 1.68 1.92 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.23 3.98 0.00 1.89 1.65 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.93 3.52 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 0.98 0.00 0.00 0.94 0.00 0.00 52 D 8.21 4.32 0.00 2.90 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 53 I 8.02 3.70 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.93 0.00 0.00 54 A 8.18 3.97 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 55 R 8.16 3.89 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 56 H 8.34 4.05 0.00 3.31 3.54 0.00 5.79 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 57 A 8.39 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.19 4.04 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 59 R 8.17 3.88 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 60 S 8.03 4.14 0.00 3.80 3.92 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 61 Y 8.40 4.44 0.00 3.12 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 62 A 7.99 4.36 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 63 R 7.99 4.12 0.00 2.01 2.03 0.00 3.13 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 64 E 7.81 4.68 0.00 2.09 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 2.49 2.40 0.00 65 S 7.46 4.56 0.00 3.88 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 66 E 8.10 4.01 0.00 1.49 1.73 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 2.18 2.16 0.00 67 Y 6.97 4.50 0.00 2.73 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 68 T 8.81 4.25 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 1.21 0.00 0.00 69 E 8.65 3.93 0.00 2.06 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 2.38 2.42 0.00 70 D 8.03 4.34 0.00 2.72 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 71 E 8.17 3.92 0.00 2.26 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 2.36 2.35 0.00 72 A 8.30 3.57 1.29 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 0.00 0.00 73 L 8.16 3.87 0.00 1.87 1.84 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.06 3.90 0.00 2.12 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 0.00 2.29 2.46 0.00 75 R 7.64 3.89 0.00 1.92 1.99 0.00 2.33 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 76 I 7.86 3.90 2.03 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 1.43 0.72 0.93 0.00 0.00 77 V 8.14 3.90 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 1.18 0.00 0.00 0.94 0.00 0.00 78 E 8.21 4.03 0.00 2.27 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 2.35 2.56 0.00 *80 F 7.93 4.72 0.00 3.14 3.39 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 81 E 8.67 3.71 0.00 2.10 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 2.43 2.72 0.00 82 A 8.05 4.08 1.35 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 0.00 0.00 83 E 8.01 3.92 0.00 2.06 1.88 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 2.37 2.37 0.00 84 L 7.36 3.81 0.00 1.34 1.58 0.66 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.58 4.24 0.00 3.93 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 86 R 7.16 4.02 0.00 1.77 1.89 0.00 3.25 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 87 P 0.00 4.45 0.00 2.19 2.02 0.00 3.79 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 1.97 1.97 0.00 88 T 8.36 3.93 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 *92 A 7.75 4.32 1.29 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 0.00 0.00 93 T 7.70 4.66 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 94 T 8.51 4.68 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 1.21 0.00 0.00 95 E 8.51 4.75 0.00 2.00 1.85 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 2.15 2.26 0.00 96 R 8.46 4.57 0.00 1.73 1.79 0.00 3.17 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 97 T 8.05 4.68 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 1.21 0.00 0.00 98 Q 8.45 4.24 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.