NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.5514 8.2033 118.3650 58.7710 28.7387 173.7065 4 P 4.0435 0.0000 0.0000 64.6831 31.1090 176.6866 5 L 3.9295 8.6287 120.0017 58.2859 42.5884 178.3882 6 E 3.9965 8.1267 118.0622 59.3533 29.4235 179.1565 7 K 4.0333 8.4642 119.5777 59.0985 32.1939 178.8825 8 A 4.0113 8.1434 121.6084 54.9687 18.3239 179.4905 9 L 3.9734 8.0145 117.5511 57.9618 41.6318 179.0618 10 D 4.3948 8.1728 117.9016 57.6251 41.1423 178.6818 11 V 3.6636 8.0535 118.5694 66.1830 31.5679 177.8896 12 M 4.2542 8.2915 118.5245 58.5310 31.7719 178.9938 13 V 4.1745 8.1756 118.3583 66.2726 31.7977 178.3319 14 S 4.3673 8.5887 115.2890 61.8287 62.3112 176.6655 15 T 4.0249 8.2766 118.5538 66.6335 68.2496 176.0856 16 F 3.7282 7.9434 121.0610 61.8838 39.3361 176.9925 17 H 4.8670 8.0653 114.9963 57.6588 28.2882 177.5974 18 K 3.9054 7.9927 121.0754 58.7867 31.6534 177.3056 19 Y 4.4628 7.3433 115.8381 58.7517 39.4911 178.1304 20 S 4.0414 7.9876 114.8319 60.7357 63.2737 175.7191 21 G 3.7744 7.3403 106.3852 45.4249 0.0000 174.8548 22 K 4.0357 7.7658 119.6170 58.7752 32.1579 177.0218 23 E 4.7116 8.7605 115.8358 54.6116 34.2030 177.8507 24 G 3.5526 8.5334 108.5422 46.2012 0.0000 174.0370 25 D 4.2660 8.8699 125.6604 55.0610 41.4104 177.5969 26 K 4.0444 8.4238 127.8001 56.5589 31.9400 174.2746 27 F 5.3212 8.8337 117.4829 57.9827 39.3018 175.8607 28 K 5.1031 7.7097 122.2242 53.8912 35.9297 178.5738 29 L 4.6387 9.0905 124.6142 53.2472 43.1681 176.6431 30 N 4.8662 8.6619 122.4641 51.7074 39.3265 176.3658 31 K 3.7391 8.8390 118.2271 59.9060 31.9513 179.2726 32 S 3.9352 7.9352 112.3081 61.4929 62.4271 175.9092 33 E 3.9712 9.2477 121.8449 59.1748 29.0853 179.0207 34 L 3.8645 8.3148 120.8609 57.8988 42.1436 178.7717 35 K 3.6298 7.9377 119.5481 59.5297 32.0248 178.4103 36 E 3.8940 7.9464 118.5166 59.2994 29.4109 178.9010 37 L 2.7779 7.3725 120.0522 57.9426 42.0419 179.0105 38 L 4.1146 8.0577 118.7988 58.1754 41.3776 179.7769 39 T 3.9289 7.8528 114.3193 66.8250 68.5518 176.6233 40 R 4.2613 8.3490 118.4894 57.8897 30.4242 177.7952 41 E 4.6839 8.5495 116.7534 56.0181 32.3023 175.9726 42 L 4.9897 8.0229 119.0296 52.5364 42.3327 176.4055 43 P 4.3867 0.0000 0.0000 66.1326 31.2255 177.9347 44 S 4.2342 8.0381 114.0339 61.1506 63.0450 175.9137 45 F 4.3602 8.2245 123.1232 61.1732 39.0945 176.5789 46 L 4.0156 7.4136 112.7021 54.9008 41.7059 178.3801 47 G 3.6374 7.3419 104.2461 47.7894 0.0000 173.8043 *51 D 4.4289 7.4307 117.2166 53.0828 43.5060 175.5518 52 E 4.1317 8.7856 121.8624 59.7029 29.3484 179.7340 53 A 4.0006 7.9982 119.9415 55.1762 18.7146 179.4260 54 A 3.9307 7.9524 118.7947 55.1221 18.4439 179.7493 55 F 4.1863 8.4094 116.7275 60.8236 38.9508 177.6470 56 Q 4.0679 8.2399 119.2496 59.1753 28.9404 178.4112 57 K 4.0696 8.4910 122.1345 59.8093 32.0049 180.1143 58 L 4.0166 7.8371 122.5146 59.7385 41.0305 181.5208 59 M 4.2040 8.6584 119.9433 58.4682 31.8356 178.3530 60 S 4.1026 8.0996 112.6096 61.4100 62.6913 175.5330 61 N 4.4987 7.8520 117.8690 56.4093 38.3635 177.1443 62 L 4.2319 7.8452 119.3861 56.7530 43.3428 178.1618 63 D 4.6846 7.7844 119.5675 53.2767 38.3146 176.5673 64 S 4.2062 8.0645 117.7504 60.2056 62.5294 175.7368 65 N 4.6412 8.3513 117.2707 51.9770 37.4400 175.2438 66 R 4.0768 7.4845 116.3951 57.8336 28.1700 176.1653 67 D 4.6713 7.9142 112.7639 53.0320 39.5525 176.4512 68 N 4.3792 9.2712 116.1187 54.3557 38.1396 173.0350 69 E 4.9161 7.8984 112.9428 55.2034 34.5647 174.9138 70 V 4.4669 8.9439 124.1758 62.2473 33.3368 175.9586 71 D 5.2393 9.8118 130.0043 52.8457 41.4737 173.8429 72 F 2.9749 8.8629 117.6099 62.4108 39.1106 176.8218 73 Q 3.8586 8.0262 118.6914 59.3240 29.0435 177.9852 74 E 4.0378 8.1483 119.0126 59.2570 29.4604 178.6122 75 Y 4.1712 7.9620 119.9068 60.8294 38.8738 177.6898 76 C 3.6665 7.7625 117.6993 62.6438 28.1830 176.1597 77 V 3.5197 7.5464 119.6722 65.9173 31.0714 177.7608 78 F 4.2585 8.0346 120.1451 61.4433 39.2402 177.1453 79 L 3.2950 7.5336 118.5052 57.5412 41.2117 179.5363 80 S 4.0046 8.2533 115.5047 61.6660 62.7364 176.2216 81 C 3.9970 8.0018 121.1874 62.5813 31.2710 175.7563 82 I 3.5315 7.2737 120.8320 64.2549 36.5730 178.0309 83 A 3.9281 8.1405 121.9672 55.4829 17.9177 179.0435 84 M 3.9043 8.3657 115.9386 59.2323 32.5379 178.0474 85 M 4.2710 7.8909 118.3640 58.8114 32.2462 178.4081 86 C 4.1342 8.1882 116.7189 63.0552 28.3403 175.7600 87 N 4.5457 8.5525 118.6590 56.8689 37.9547 176.5010 88 E 3.8147 8.0982 119.5198 59.3984 28.9690 179.1071 89 F 3.0800 7.9285 120.4339 61.0432 39.1459 177.2793 90 F 4.1920 7.8854 116.3668 60.4700 38.8336 177.4038 91 E 4.1324 8.0043 116.7879 57.5860 29.3047 177.5848 92 G 3.6412 7.0399 105.9005 46.3195 0.0000 173.5303 93 F 4.2349 6.8247 122.9613 57.6772 39.6147 175.7354 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 3 C 8.20 4.55 0.00 3.01 2.98 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 4 P 0.00 4.04 0.00 2.23 2.12 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 5 L 8.63 3.93 0.00 1.74 1.65 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.13 4.00 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 2.41 2.37 0.00 7 K 8.46 4.03 0.00 1.83 1.94 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 8 A 8.14 4.01 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.01 3.97 0.00 1.92 1.78 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.17 4.39 0.00 2.93 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 11 V 8.05 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 1.06 0.00 0.00 0.98 0.00 0.00 12 M 8.29 4.25 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 13 V 8.18 4.17 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 0.99 0.00 0.00 1.23 0.00 0.00 14 S 8.59 4.37 0.00 4.04 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 15 T 8.28 4.02 4.52 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 1.50 0.00 0.00 16 F 7.94 3.73 0.00 2.37 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 17 H 8.07 4.87 0.00 3.36 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.99 3.91 0.00 1.76 1.87 0.00 1.65 0.00 0.00 1.28 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.62 1.19 7.81 19 Y 7.34 4.46 0.00 2.88 2.83 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 20 S 7.99 4.04 0.00 3.84 3.12 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 0.00 0.00 0.00 21 G 7.34 3.77 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 0.00 0.00 0.00 22 K 7.77 4.04 0.00 2.07 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.31 7.81 23 E 8.76 4.71 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 2.19 2.19 0.00 24 G 8.53 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 25 D 8.87 4.27 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 4.04 0.00 1.82 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.03 7.81 27 F 8.83 5.32 0.00 3.09 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 28 K 7.71 5.10 0.00 1.48 1.50 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.04 7.81 29 L 9.09 4.64 0.00 1.66 1.57 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.66 4.87 0.00 2.77 2.93 0.00 0.00 6.51 7.05 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 31 K 8.84 3.74 0.00 1.73 1.84 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 32 S 7.94 3.94 0.00 3.82 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 33 E 9.25 3.97 0.00 2.07 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 2.34 2.43 0.00 34 L 8.31 3.86 0.00 1.67 1.76 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.94 3.63 0.00 1.10 1.81 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.32 1.23 7.81 36 E 7.95 3.89 0.00 2.22 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 0.00 2.39 2.33 0.00 37 L 7.37 2.78 0.00 1.03 1.60 0.99 0.72 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 38 L 8.06 4.11 0.00 1.95 1.92 1.13 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.85 3.93 4.45 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 1.27 0.00 0.00 40 R 8.35 4.26 0.00 1.88 2.11 0.00 3.27 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 41 E 8.55 4.68 0.00 2.05 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 0.00 2.35 2.63 0.00 42 L 8.02 4.99 0.00 1.81 1.71 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.39 0.00 2.29 2.48 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 44 S 8.04 4.23 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 4.36 0.00 3.18 3.30 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 46 L 7.41 4.02 0.00 1.80 1.64 0.60 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.34 3.64 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 0.00 0.00 0.00 *51 D 7.43 4.43 0.00 2.81 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 52 E 8.79 4.13 0.00 2.15 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 2.44 2.49 0.00 53 A 8.00 4.00 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 54 A 7.95 3.93 1.23 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 0.00 0.00 0.00 55 F 8.41 4.19 0.00 3.39 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 4.07 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 57 K 8.49 4.07 0.00 2.10 1.85 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.32 7.81 58 L 7.84 4.02 0.00 1.69 1.67 0.92 0.68 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 59 M 8.66 4.20 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 60 S 8.10 4.10 0.00 3.98 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 61 N 7.85 4.50 0.00 2.99 2.89 0.00 0.00 7.13 7.71 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 62 L 7.85 4.23 0.00 1.56 1.67 0.10 0.76 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 63 D 7.78 4.68 0.00 2.87 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 64 S 8.06 4.21 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.35 4.64 0.00 2.86 3.10 0.00 0.00 6.89 7.50 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 66 R 7.48 4.08 0.00 2.01 2.05 0.00 3.15 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 67 D 7.91 4.67 0.00 2.81 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 68 N 9.27 4.38 0.00 2.84 2.99 0.00 0.00 6.82 7.69 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 69 E 7.90 4.92 0.00 1.92 1.94 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 2.24 2.40 0.00 70 V 8.94 4.47 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 1.03 0.00 0.00 0.96 0.00 0.00 71 D 9.81 5.24 0.00 2.36 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 72 F 8.86 2.97 0.00 2.53 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 73 Q 8.03 3.86 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 74 E 8.15 4.04 0.00 2.25 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 0.00 2.53 2.39 0.00 75 Y 7.96 4.17 0.00 3.16 2.67 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 0.00 0.00 0.00 0.00 76 C 7.76 3.67 0.00 2.94 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 77 V 7.55 3.52 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 1.00 0.00 0.00 0.95 0.00 0.00 78 F 8.03 4.26 0.00 3.01 3.10 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 79 L 7.53 3.30 0.00 1.42 1.33 0.46 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.25 4.00 0.00 3.92 3.84 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 81 C 8.00 4.00 0.00 3.12 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 82 I 7.27 3.53 1.62 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.09 0.76 0.00 0.00 83 A 8.14 3.93 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 84 M 8.37 3.90 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 85 M 7.89 4.27 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.96 0.00 86 C 8.19 4.13 0.00 3.19 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 87 N 8.55 4.55 0.00 2.95 3.03 0.00 0.00 7.22 8.44 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 88 E 8.10 3.81 0.00 2.31 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 2.33 2.20 0.00 89 F 7.93 3.08 0.00 3.12 3.01 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 0.00 0.00 0.00 90 F 7.89 4.19 0.00 3.26 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 91 E 8.00 4.13 0.00 1.82 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 2.31 2.49 0.00 92 G 7.04 3.64 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 0.00 0.00 0.00 93 F 6.82 4.23 0.00 3.13 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 * Residues marked with a * may have inaccurate shift predictions.