NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3363 8.2549 117.2813 55.9793 30.5495 175.0603 8 K 3.9367 8.3069 117.6607 57.9735 32.7296 176.3118 9 A 4.2261 8.1126 121.8380 51.9266 20.3432 176.1912 10 A 4.6107 8.1324 118.7926 52.5436 20.2174 179.9906 11 L 4.0410 7.5720 125.4828 59.5501 42.2310 177.8558 12 L 4.0596 7.8354 118.6061 57.6852 41.7948 178.9230 13 D 4.3370 8.0566 118.5594 57.2170 40.7044 178.2990 14 Q 4.0276 7.7941 118.9969 58.8014 29.0570 178.1052 15 V 3.5788 8.0250 119.3360 65.8140 31.5353 177.7257 16 A 4.0351 8.3247 120.8484 55.4068 18.1354 179.8747 17 R 3.9510 7.8552 116.0679 59.1266 30.1166 179.3813 18 V 3.6638 8.1794 118.6797 66.0019 31.3407 178.2119 19 G 3.6539 8.2430 104.3043 47.7325 0.0000 174.9646 20 K 4.0266 8.5495 122.4350 59.3044 31.9695 178.5975 21 A 4.0074 7.9802 119.7314 55.0667 18.6307 179.0160 22 L 4.2345 7.8967 115.7793 55.9296 41.7456 177.3980 23 A 4.5468 7.5448 121.7590 51.8796 18.8672 177.1680 24 N 4.8013 8.4182 119.5494 52.6572 41.5897 175.1738 25 G 3.6618 8.8863 113.5326 47.9737 0.0000 174.6271 26 R 4.0589 8.0015 120.6226 59.0411 30.0993 178.2825 27 R 3.8893 8.7762 119.0346 59.3624 30.0860 178.4579 28 L 3.9482 7.8697 118.1610 57.3340 41.4794 179.2045 29 Q 4.0666 7.9299 118.1272 59.0179 28.5794 178.7319 30 I 3.6381 7.4544 120.8454 64.4899 36.9129 178.4236 31 L 3.7508 7.4443 117.8963 57.8245 41.4885 178.7788 32 D 4.7346 8.0475 118.5936 57.3506 40.5149 178.6872 33 L 4.0037 7.9355 120.1501 57.9835 42.4051 178.4287 34 L 4.7123 8.5110 118.4370 54.2509 41.9253 176.1314 35 A 4.7612 7.3801 121.3987 49.5883 19.8274 175.2155 36 Q 5.4207 8.1688 122.0663 54.1798 31.7514 173.2804 37 G 3.2688 8.8792 107.9953 43.6187 0.0000 172.6636 38 E 4.3608 8.5827 128.0683 56.9675 30.3380 176.1558 39 R 5.0177 8.9304 123.0709 54.2309 35.2173 174.5966 40 A 4.1453 8.5794 122.6526 51.7161 19.4982 178.6943 41 V 3.4509 8.4189 120.2581 66.2501 31.5239 178.2840 42 E 3.8464 8.1399 117.9529 59.4182 29.3873 178.5599 43 A 3.9971 7.8684 120.0562 55.2289 18.5311 179.5024 44 I 3.6349 7.9474 118.1623 64.2822 36.9138 178.5299 45 A 3.9191 8.1091 120.9973 55.5279 18.4146 179.5415 46 T 3.9344 8.0030 113.9849 66.7851 68.3144 176.8855 47 A 4.0278 8.2786 122.1829 54.5942 18.4957 178.7578 48 T 4.5064 7.7217 105.4150 60.0954 70.1795 173.1096 49 G 3.5496 7.3341 115.1771 45.8259 0.0000 173.4210 *51 N 4.5136 7.8736 122.8550 52.3296 40.0178 175.0876 52 L 3.9258 8.2569 120.9226 58.3310 41.5982 180.0726 53 T 3.8441 7.8708 115.0101 66.8828 68.4343 176.5989 54 T 3.7992 8.3928 117.5316 66.5901 68.4836 176.3885 55 A 3.8864 8.1326 122.7298 55.3368 18.3433 179.6903 56 S 3.9349 8.1047 111.3466 61.2071 62.4594 176.0390 57 A 3.9490 8.2291 123.8552 55.4490 18.1108 179.4547 58 N 4.2792 8.3710 115.1597 56.2946 38.4692 177.7387 59 L 3.6798 8.1563 120.8886 57.6884 41.4850 179.4081 60 Q 4.0167 8.2570 117.9722 58.9808 28.2427 178.9200 61 A 3.9686 8.0287 121.5630 55.1863 18.4321 179.6482 62 L 3.9144 8.0218 117.5561 57.7836 41.6139 179.7199 63 K 4.1607 8.3850 119.7929 59.7778 31.9830 179.1272 64 S 4.2688 8.3435 114.5974 60.9087 62.7619 175.8736 65 G 3.9845 7.6319 105.7695 44.0641 0.0000 174.3084 66 G 3.9552 7.9346 108.3987 46.0195 0.0000 174.6782 67 L 4.4511 8.0416 121.2284 55.5273 43.0468 176.8977 68 V 5.1362 7.7604 109.7622 59.5645 35.7739 174.5813 69 E 4.9169 9.5694 121.0075 54.5986 33.4107 174.8910 70 A 4.8797 8.2454 121.7285 50.1032 22.4230 175.6187 71 R 4.6113 8.7484 115.6170 54.4531 33.5348 173.8042 72 R 4.9117 8.5578 121.1902 54.8630 31.7258 175.2114 73 E 4.4972 9.0524 126.9316 54.9847 31.9065 175.5539 74 G 3.9271 8.2929 118.8517 47.3492 0.0000 172.9715 75 T 4.2882 8.6732 119.5271 61.7724 67.4582 173.8422 76 R 4.6253 7.6743 119.1312 54.7596 33.1278 174.2802 77 Q 4.9701 8.0126 119.6015 54.6228 32.5029 173.1850 78 Y 5.2172 9.2618 124.0557 56.5005 40.7701 174.2765 79 Y 5.2334 9.1649 121.8506 56.2842 41.3585 175.0000 80 R 5.0238 9.0173 118.1353 54.1539 33.6680 174.3813 81 I 4.1005 8.5597 120.8821 62.1485 36.9055 176.1922 82 A 4.0847 8.9259 129.4437 55.0573 19.2272 177.0907 83 G 3.9282 7.5675 101.8692 44.1035 0.0000 173.3376 84 E 3.9132 8.6112 118.6224 59.5880 29.3622 178.4948 85 D 4.2210 8.1857 118.3215 57.5827 40.7813 179.0182 86 V 3.6139 7.7906 117.9096 65.7931 31.6165 177.8416 87 A 4.0905 7.9658 120.5439 55.2844 18.1829 179.7709 88 R 3.8909 8.8881 117.5319 59.2570 30.1010 179.0386 89 L 3.9624 8.2435 120.4492 58.2834 41.7086 178.9163 90 F 4.4259 8.6413 120.5499 61.0278 39.3676 177.0347 91 A 3.7632 8.0428 120.6191 55.1049 18.1643 179.4527 92 L 3.9459 8.2069 119.3761 58.1038 42.0358 179.5161 93 V 3.6329 8.0412 119.3856 64.7886 31.2743 178.4947 94 Q 3.8794 7.6804 118.2439 58.4512 28.4428 178.8006 95 V 3.5031 7.4972 118.9926 65.9057 31.7095 178.2165 96 V 3.5519 8.0436 118.0658 65.8772 31.1308 177.7719 97 A 3.9424 8.0045 119.4742 55.3978 18.3823 178.6047 98 D 4.2665 7.8136 115.1946 55.7168 41.1945 175.9918 99 E 4.7638 8.0629 123.0716 57.4738 31.2896 173.7240 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 7 R 8.25 4.34 0.00 1.94 2.01 0.00 2.99 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.89 0.00 8 K 8.31 3.94 0.00 1.92 1.88 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 9 A 8.11 4.23 1.24 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 0.00 0.00 0.00 10 A 8.13 4.61 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 11 L 7.57 4.04 0.00 1.81 1.86 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.84 4.06 0.00 1.73 1.70 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.06 4.34 0.00 2.69 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 14 Q 7.79 4.03 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 15 V 8.02 3.58 2.22 0.00 0.00 0.00 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 0.96 0.00 0.00 16 A 8.32 4.04 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 17 R 7.86 3.95 0.00 2.08 1.99 0.00 3.41 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 18 V 8.18 3.66 2.27 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 1.03 0.00 0.00 1.09 0.00 0.00 19 G 8.24 3.65 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 0.00 0.00 0.00 20 K 8.55 4.03 0.00 1.88 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 21 A 7.98 4.01 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 22 L 7.90 4.23 0.00 1.91 1.75 0.97 0.79 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 A 7.54 4.55 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 24 N 8.42 4.80 0.00 2.68 2.62 0.00 0.00 7.14 7.34 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 25 G 8.89 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 26 R 8.00 4.06 0.00 1.89 2.02 0.00 3.18 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 27 R 8.78 3.89 0.00 2.04 2.15 0.00 3.24 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 28 L 7.87 3.95 0.00 2.08 1.86 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.93 4.07 0.00 2.22 2.17 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 2.41 2.49 0.00 30 I 7.45 3.64 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.80 0.00 0.00 31 L 7.44 3.75 0.00 0.85 0.48 0.34 0.79 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 32 D 8.05 4.73 0.00 2.96 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 33 L 7.94 4.00 0.00 1.72 1.88 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.51 4.71 0.00 1.72 1.71 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.38 4.76 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 36 Q 8.17 5.42 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 37 G 8.88 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 0.00 0.00 0.00 38 E 8.58 4.36 0.00 2.04 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 0.00 2.44 2.65 0.00 39 R 8.93 5.02 0.00 1.81 1.79 0.00 3.21 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 1.66 1.68 0.00 40 A 8.58 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.42 3.45 2.05 0.00 0.00 0.00 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 1.09 0.00 0.00 42 E 8.14 3.85 0.00 2.00 1.90 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 2.35 2.36 0.00 43 A 7.87 4.00 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 44 I 7.95 3.63 1.94 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 1.44 0.84 0.83 0.00 0.00 45 A 8.11 3.92 1.33 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 46 T 8.00 3.93 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 1.21 0.00 0.00 47 A 8.28 4.03 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 48 T 7.72 4.51 4.22 0.00 0.00 0.00 0.00 0.00 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 49 G 7.33 3.55 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 0.00 0.00 0.00 *51 N 7.87 4.51 0.00 3.01 2.99 0.00 0.00 6.13 6.67 0.00 0.00 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 L 8.26 3.93 0.00 1.73 1.75 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.87 3.84 4.39 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 1.20 0.00 0.00 54 T 8.39 3.80 4.35 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 1.18 0.00 0.00 55 A 8.13 3.89 1.24 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 0.00 0.00 0.00 56 S 8.10 3.93 0.00 3.89 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 57 A 8.23 3.95 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 58 N 8.37 4.28 0.00 2.85 2.79 0.00 0.00 7.09 7.34 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 59 L 8.16 3.68 0.00 1.35 0.45 0.47 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.26 4.02 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 61 A 8.03 3.97 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 62 L 8.02 3.91 0.00 1.80 1.69 0.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.39 4.16 0.00 2.15 2.03 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.57 7.81 64 S 8.34 4.27 0.00 3.87 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 65 G 7.63 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 66 G 7.93 3.96 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 0.00 0.00 0.00 67 L 8.04 4.45 0.00 1.71 1.66 0.88 0.73 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 68 V 7.76 5.14 2.36 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 0.73 0.00 0.00 1.13 0.00 0.00 69 E 9.57 4.92 0.00 1.81 1.76 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 2.21 2.22 0.00 70 A 8.25 4.88 0.38 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 71 R 8.75 4.61 0.00 1.81 1.93 0.00 2.70 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 72 R 8.56 4.91 0.00 1.80 1.86 0.00 3.23 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 73 E 9.05 4.50 0.00 2.06 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 74 G 8.29 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 75 T 8.67 4.29 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 76 R 7.67 4.63 0.00 1.87 1.41 0.00 3.16 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 77 Q 8.01 4.97 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 78 Y 9.26 5.22 0.00 2.83 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 79 Y 9.16 5.23 0.00 2.85 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 80 R 9.02 5.02 0.00 1.84 2.00 0.00 2.80 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 81 I 8.56 4.10 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 0.93 0.00 0.00 82 A 8.93 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 83 G 7.57 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 84 E 8.61 3.91 0.00 2.10 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 2.39 2.49 0.00 85 D 8.19 4.22 0.00 2.74 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 86 V 7.79 3.61 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 1.20 0.00 0.00 0.95 0.00 0.00 87 A 7.97 4.09 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 88 R 8.89 3.89 0.00 1.97 2.01 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 89 L 8.24 3.96 0.00 1.86 1.95 0.96 0.91 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 90 F 8.64 4.43 0.00 3.14 3.07 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 0.00 0.00 0.00 0.00 91 A 8.04 3.76 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 92 L 8.21 3.95 0.00 1.84 1.90 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.04 3.63 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 1.02 0.00 0.00 0.97 0.00 0.00 94 Q 7.68 3.88 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 95 V 7.50 3.50 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 0.97 0.00 0.00 0.95 0.00 0.00 96 V 8.04 3.55 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 0.95 0.00 0.00 0.93 0.00 0.00 97 A 8.00 3.94 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 98 D 7.81 4.27 0.00 2.81 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 99 E 8.06 4.76 0.00 2.21 2.10 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 2.17 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.