NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3924 8.3344 115.3978 58.2390 64.3508 172.7774 5 L 4.0376 7.8272 119.5898 52.8470 44.4972 172.5541 6 K 4.5632 9.1282 123.3822 56.6286 34.7527 176.3273 7 K 4.2540 7.7368 122.9000 53.4985 30.8168 175.9089 8 G 4.0612 8.0908 109.3681 45.2126 0.0000 172.9291 9 V 3.1980 8.7031 122.2704 63.6598 31.5486 175.8910 10 F 3.9108 8.1212 111.8195 58.0729 37.8589 177.9945 11 V 3.9538 7.1509 121.8184 61.9585 31.9935 174.7433 12 D 5.0106 8.3744 117.0434 53.3120 44.9080 175.9900 13 D 4.4442 8.6718 121.3301 57.0275 41.5019 178.5210 14 H 4.2917 8.3452 112.2089 57.3636 28.8391 175.3682 15 L 4.5731 7.7879 118.5608 55.8085 44.5629 178.1035 16 L 3.9143 7.8921 119.6409 58.5158 40.5324 178.9775 17 E 4.0134 8.4165 118.4317 59.2123 29.1955 178.6550 18 K 3.9129 7.7491 116.6906 57.4692 32.4232 177.5753 19 V 4.0064 7.8396 117.5496 65.4996 32.3835 177.4065 20 L 4.0187 7.9578 116.5373 56.9764 41.6480 178.0288 21 E 4.2797 7.6406 116.4372 57.9137 30.3540 178.4703 22 L 5.1024 8.0208 119.1131 56.4302 41.9689 178.5715 23 N 4.3440 8.1654 114.6011 54.6405 38.8525 174.5536 24 A 4.4649 7.3460 120.0403 53.2378 19.3305 176.1609 25 K 4.1223 8.8529 122.2444 55.4744 30.2254 175.9684 26 G 3.8162 7.6428 107.5749 45.9291 0.0000 173.1600 27 E 4.7950 8.1090 124.7036 55.5643 32.8627 176.4884 28 K 5.1766 8.3408 126.5490 56.6908 31.2492 177.7387 29 R 4.3996 8.5144 122.0744 57.2044 33.3699 173.2435 30 L 4.0160 8.4306 122.3855 55.5377 42.2016 175.7104 31 I 4.7762 8.2297 125.4536 59.0396 42.2904 173.4068 32 K 4.6561 8.6413 124.9161 54.9103 34.4885 175.6936 33 T 4.7878 7.8341 119.6732 61.8320 72.4987 175.4337 34 W 5.0848 8.5296 117.4355 58.0062 32.4881 175.8997 35 S 4.8800 7.9179 114.2335 56.7485 61.8526 174.6851 36 R 4.2573 7.8571 120.0688 58.3264 30.4233 179.8615 37 R 3.9898 8.0159 118.2644 59.1568 30.5090 177.0935 38 S 4.5908 7.9043 112.3474 58.3474 64.4042 172.9429 39 T 4.7982 7.4933 117.7820 63.8127 69.2458 175.7312 40 I 4.0594 7.5429 110.8235 61.4846 37.9557 174.1074 41 V 3.8408 8.0588 127.4257 60.4333 32.5575 174.1828 42 P 3.9864 0.0000 0.0000 62.4258 32.1523 175.8601 43 E 4.1933 9.0769 118.1901 56.3656 28.0120 174.7902 44 M 4.6516 7.6690 115.9953 55.8683 34.2304 173.8741 45 V 4.5390 7.1048 112.2492 60.5235 30.7866 174.0663 46 G 4.1002 7.5165 118.4932 43.6230 0.0000 171.0600 47 H 4.9611 8.1218 119.5907 55.2243 30.2475 174.9874 48 T 4.9205 8.2482 108.7219 60.1829 72.0514 172.6952 49 I 4.6012 8.2187 117.9552 58.9553 40.7565 175.1239 50 A 4.5548 8.9118 129.1505 50.3417 17.3154 175.2989 51 V 3.7562 7.7947 120.6294 63.0387 32.9176 174.8677 52 Y 5.0079 7.9505 127.2631 56.5081 39.8377 175.2254 53 N 4.7458 7.4717 115.1169 53.0346 39.3995 174.9632 54 G 4.0396 6.7485 107.2168 45.4796 0.0000 174.2142 55 K 4.2667 7.4376 118.1150 57.3660 34.0646 174.9767 56 Q 4.5886 7.0475 113.6450 55.8193 31.6816 172.0001 57 H 4.8706 8.6723 115.7911 55.4251 30.0314 176.6192 58 V 4.0422 8.9827 125.1493 60.1473 30.1773 170.5181 59 P 4.4380 0.0000 0.0000 62.1862 31.6428 174.6303 60 V 4.3365 8.2274 124.3820 59.7935 33.7726 175.7880 61 Y 4.5735 8.4363 128.0261 58.2485 41.4024 173.5990 62 I 3.8558 5.4200 116.5454 61.0448 40.5517 174.3830 63 T 4.6935 8.0947 126.5932 60.6190 69.5392 174.2418 64 E 4.2597 8.5467 123.1255 56.1267 30.4227 176.5878 65 N 4.1097 9.1221 113.3384 55.4677 38.4766 175.5828 66 M 4.5956 7.6376 114.5591 54.2067 30.3484 175.8075 67 V 4.2796 6.9973 113.3221 63.2179 33.7485 179.9082 68 G 3.9261 7.7113 107.6502 45.4470 0.0000 172.9694 69 H 5.1308 7.7435 114.2340 53.3655 33.6540 176.7461 70 K 5.2095 8.1345 119.9629 56.1298 31.8630 175.6257 71 L 4.7452 8.2542 117.1462 57.5409 43.8422 179.0612 72 G 3.7370 8.0969 106.9755 48.4387 0.0000 174.4582 73 E 3.9800 8.1027 116.9372 57.1782 29.1363 176.6309 74 F 4.8846 8.2094 112.8126 57.3109 41.2683 175.8641 75 A 4.6852 8.3691 124.2251 50.1259 20.2647 174.8633 76 P 4.4314 0.0000 0.0000 62.7873 32.0212 177.2757 77 T 4.4065 8.1833 106.3249 61.1956 70.2819 174.0768 78 R 4.2056 7.8994 121.9449 55.4638 30.6772 175.7783 79 T 4.4332 8.2885 120.6602 62.5081 68.8696 173.6451 80 Y 4.6998 8.1124 125.7464 56.6077 41.6689 173.9024 81 R 4.3092 7.7836 125.0468 55.6950 32.9705 175.9257 82 G 3.7394 6.0920 103.9406 46.6410 0.0000 170.9680 83 H 4.9442 8.8640 115.2804 56.6835 36.2536 173.4533 84 G 4.4015 7.7836 108.3311 43.9513 0.0000 170.5693 85 K 4.5485 7.9486 119.6444 56.5268 35.3573 175.5167 86 E 4.9168 7.9067 110.5057 56.2289 31.1879 176.0969 87 A 4.5047 7.7456 128.9044 50.7104 19.6690 177.2940 *88 K 4.1283 7.8222 125.5815 54.1577 32.4811 177.5847 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 4 S 8.33 4.39 0.00 3.99 3.93 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 5 L 7.83 4.04 0.00 1.26 1.13 1.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.13 4.56 0.00 1.89 1.90 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.47 7.81 7 K 7.74 4.25 0.00 1.74 1.82 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.50 7.81 8 G 8.09 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 9 V 8.70 3.20 1.91 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 0.71 0.00 0.00 0.85 0.00 0.00 10 F 8.12 3.91 0.00 3.29 3.15 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 11 V 7.15 3.95 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 0.67 0.00 0.00 0.96 0.00 0.00 12 D 8.37 5.01 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.67 4.44 0.00 2.70 2.90 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 14 H 8.35 4.29 0.00 3.25 3.43 0.00 5.48 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 15 L 7.79 4.57 0.00 1.66 1.68 0.93 0.31 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 16 L 7.89 3.91 0.00 1.95 1.82 0.96 1.42 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 17 E 8.42 4.01 0.00 2.05 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 2.34 2.47 0.00 18 K 7.75 3.91 0.00 1.77 2.00 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 19 V 7.84 4.01 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 1.01 0.00 0.00 0.96 0.00 0.00 20 L 7.96 4.02 0.00 1.66 1.73 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.64 4.28 0.00 2.26 2.19 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 2.41 2.25 0.00 22 L 8.02 5.10 0.00 1.74 1.73 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.17 4.34 0.00 2.72 2.89 0.00 0.00 6.78 7.35 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 24 A 7.35 4.46 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 25 K 8.85 4.12 0.00 1.99 2.35 0.00 1.99 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.36 7.81 26 G 7.64 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 0.00 0.00 0.00 27 E 8.11 4.79 0.00 2.04 1.92 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 2.26 2.31 0.00 28 K 8.34 5.18 0.00 1.76 1.52 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.38 7.81 29 R 8.51 4.40 0.00 2.01 2.07 0.00 3.15 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 30 L 8.43 4.02 0.00 1.69 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.23 4.78 1.90 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 1.23 0.79 0.95 0.00 0.00 32 K 8.64 4.66 0.00 1.83 1.37 0.00 1.91 0.00 0.00 1.86 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.07 1.40 7.81 33 T 7.83 4.79 4.17 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 1.28 0.00 0.00 34 W 8.53 5.08 0.00 3.37 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 35 S 7.92 4.88 0.00 4.15 4.14 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 36 R 7.86 4.26 0.00 2.19 2.27 0.00 3.03 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 37 R 8.02 3.99 0.00 1.93 2.12 0.00 3.30 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 38 S 7.90 4.59 0.00 3.99 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 0.00 39 T 7.49 4.80 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 1.19 0.00 0.00 40 I 7.54 4.06 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 0.88 0.00 0.00 41 V 8.06 3.84 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 0.71 0.00 0.00 0.88 0.00 0.00 42 P 0.00 3.99 0.00 2.03 2.04 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 43 E 9.08 4.19 0.00 1.97 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 2.23 2.27 0.00 44 M 7.67 4.65 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 45 V 7.10 4.54 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 0.69 0.00 0.00 0.88 0.00 0.00 46 G 7.52 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.96 0.00 2.95 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.25 4.92 4.30 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 1.46 0.00 0.00 49 I 8.22 4.60 1.84 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 1.11 1.19 0.88 0.00 0.00 50 A 8.91 4.55 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.79 3.76 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 0.94 0.00 0.00 0.99 0.00 0.00 52 Y 7.95 5.01 0.00 2.43 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.47 4.75 0.00 2.65 2.70 0.00 0.00 6.27 7.00 0.00 0.00 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 G 6.75 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 55 K 7.44 4.27 0.00 1.58 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.29 7.81 56 Q 7.05 4.59 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 57 H 8.67 4.87 0.00 3.06 3.19 0.00 5.68 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 58 V 8.98 4.04 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 0.77 0.00 0.00 0.91 0.00 0.00 59 P 0.00 4.44 0.00 1.98 2.08 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 60 V 8.23 4.34 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 0.88 0.00 0.00 0.93 0.00 0.00 61 Y 8.44 4.57 0.00 3.06 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 62 I 5.42 3.86 1.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.62 0.62 0.00 0.00 63 T 8.09 4.69 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 1.24 0.00 0.00 64 E 8.55 4.26 0.00 2.10 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 2.27 2.29 0.00 65 N 9.12 4.11 0.00 2.99 3.02 0.00 0.00 5.90 7.66 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 66 M 7.64 4.60 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.83 0.00 67 V 7.00 4.28 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 0.98 0.00 0.00 68 G 7.71 3.93 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 0.00 0.00 0.00 69 H 7.74 5.13 0.00 3.55 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.13 5.21 0.00 1.95 2.13 0.00 1.90 0.00 0.00 2.09 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 1.62 7.81 71 L 8.25 4.75 0.00 1.71 1.73 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.10 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.98 0.00 1.79 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 1.65 2.07 0.00 74 F 8.21 4.88 0.00 3.21 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 75 A 8.37 4.69 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 76 P 0.00 4.43 0.00 2.17 2.07 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 77 T 8.18 4.41 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 1.23 0.00 0.00 78 R 7.90 4.21 0.00 1.80 1.90 0.00 3.32 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 79 T 8.29 4.43 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 1.21 0.00 0.00 80 Y 8.11 4.70 0.00 2.86 2.69 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 81 R 7.78 4.31 0.00 1.60 1.66 0.00 3.36 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 82 G 6.09 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.86 4.94 0.00 3.18 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.78 4.40 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 0.00 85 K 7.95 4.55 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.34 7.81 86 E 7.91 4.92 0.00 1.88 1.84 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 2.07 2.17 0.00 87 A 7.75 4.50 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 *88 K 7.82 4.13 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.