NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4504 8.3049 120.3237 54.6013 33.4433 174.9294 2 K 3.9920 8.2866 120.0193 55.5352 32.7190 175.8674 3 K 4.1328 8.9306 123.4781 57.1655 33.8578 175.8497 4 A 4.4761 8.8878 125.9292 51.4149 20.0180 176.4684 5 V 4.6966 8.7161 122.2840 60.9959 34.3455 174.8581 6 I 4.0893 8.6100 128.8086 59.6906 39.5642 174.9938 7 N 4.7508 8.6696 126.4682 51.5451 37.3348 176.1306 8 G 3.8788 9.4495 114.3267 48.0305 0.0000 173.7428 9 E 3.9941 8.2106 117.1502 58.9736 29.7756 177.5618 10 Q 4.3276 7.8006 115.9043 55.7177 29.1430 175.8680 11 I 4.0438 7.3469 120.7439 61.4855 37.4364 176.4308 12 R 4.1578 8.9578 125.1868 58.5159 30.6448 176.6623 13 S 4.8403 7.2215 112.2116 57.3741 66.4247 176.2266 14 I 3.7379 7.9927 120.6324 64.2162 37.5661 177.4324 15 S 4.1465 8.0878 113.6579 61.5292 62.2817 175.5364 16 D 4.3173 8.1623 120.7211 57.1210 40.9160 177.9884 17 L 3.9084 7.9525 121.0754 58.4397 42.0661 178.7128 18 H 4.4375 8.4432 116.2376 58.9986 28.6851 177.8622 19 Q 4.1666 8.6103 120.3487 59.0833 28.3930 178.9157 20 T 3.8559 8.0125 116.9862 66.5042 68.5128 176.7917 21 L 3.8881 8.3202 121.3697 57.5210 41.6452 179.3074 22 K 3.5139 8.3592 119.9857 59.3832 31.5492 178.7623 23 K 3.9012 7.8852 119.4687 59.6614 31.9833 178.8052 24 E 3.9726 8.3067 117.8054 58.7157 29.4696 177.7167 25 L 4.2829 7.9192 115.6775 53.5075 42.6230 175.8930 26 A 3.7051 7.3638 119.9379 53.1828 16.2335 177.4174 27 L 3.8695 7.6181 120.7389 53.1314 42.9871 176.2808 28 P 3.5692 0.0000 0.0000 62.3458 31.1959 177.0284 29 E 3.7741 8.1901 120.3283 59.3676 29.6322 177.2717 30 Y 4.3642 7.1222 113.6791 56.8959 38.4028 174.5729 31 Y 4.1391 7.6538 122.6085 58.5494 38.9748 177.4633 32 G 3.2875 8.3924 115.1145 46.1395 0.0000 172.7238 33 E 3.0248 5.9000 119.1720 55.9881 27.5202 173.2840 34 N 4.7140 6.5929 114.4328 50.8350 41.7655 174.7396 35 L 4.1736 8.4176 120.3419 58.0142 41.6134 179.5309 36 D 4.4492 8.2065 118.3701 57.1285 40.8552 178.4225 37 A 4.0705 8.8997 121.8566 55.0139 18.3914 179.4642 38 L 4.0811 8.2511 118.8939 58.0296 42.1547 178.7305 39 W 4.2205 8.5907 128.7267 60.7978 30.5545 177.2580 40 D 4.3475 8.5420 117.7923 57.7309 40.5211 178.0926 41 C 4.2435 8.3657 117.2073 62.8201 27.8574 176.1095 42 L 3.9579 7.7203 119.5887 57.5392 41.2404 179.0430 43 A 4.0815 7.8424 120.5922 54.4079 19.1517 178.6595 44 G 4.2328 8.1699 105.2175 43.4191 0.0000 172.2804 45 W 5.0092 7.7285 129.6817 58.4496 38.7582 174.8794 46 V 3.7140 7.9456 111.8043 61.1756 31.5839 175.8337 47 E 4.1173 8.0449 122.3903 55.7559 30.4678 175.3396 48 Y 5.0103 7.8712 120.1386 55.1639 41.5561 173.8529 49 P 4.9142 0.0000 0.0000 62.9408 32.6824 175.0268 50 L 4.8072 9.2779 123.4265 53.3017 45.0260 175.1285 51 V 4.7254 8.4481 125.2543 61.1180 34.5245 173.5411 52 L 4.8667 8.9824 131.2367 53.3482 44.2760 174.6300 53 E 4.8780 9.4706 129.1497 54.6116 31.2763 174.6443 54 W 5.0862 9.4331 135.0000 55.9359 32.0370 174.9018 55 R 4.4480 9.3638 127.8464 55.9360 31.3235 177.0388 56 Q 3.6696 8.6824 120.5796 56.5517 26.5847 174.7561 57 F 3.6812 8.3417 122.3966 61.6511 39.7266 175.6219 58 E 3.8830 8.3001 116.2477 59.6766 29.1428 178.9179 59 Q 4.8809 8.3575 120.3920 58.0513 28.5711 178.5226 60 S 4.2429 7.8601 114.3007 60.9434 63.5340 175.8719 61 K 3.7445 7.5131 123.3566 59.5069 31.7468 178.3887 62 Q 4.0179 7.8060 117.4338 59.1458 28.6676 178.7211 63 L 4.5411 7.9940 117.3134 55.4624 41.1304 177.9556 64 T 4.6831 7.7918 107.2797 60.2952 71.4282 174.0686 65 E 4.0850 7.5767 121.6739 57.9031 28.7165 174.6701 66 N 4.8677 8.6748 113.7716 52.7665 39.3206 176.4066 67 G 3.8144 7.9714 106.6235 47.1635 0.0000 175.5938 68 A 4.2943 8.1345 123.6242 55.2890 18.3748 179.4098 69 E 4.1990 8.3099 117.1984 59.4522 29.6154 178.9686 70 S 4.2325 8.4180 114.5603 61.4018 62.9256 176.7728 71 V 3.8285 8.3870 122.1406 65.7501 31.2982 177.6187 72 L 4.3788 8.4730 120.2204 58.4704 41.8382 178.7251 73 Q 4.0197 8.4291 119.4373 59.1601 28.9019 178.4133 74 V 3.7783 7.8164 119.3874 66.1362 31.5125 177.9766 75 F 4.1638 8.2495 117.5302 60.8487 38.7545 177.9313 76 R 4.0321 8.6265 117.9764 59.1878 29.8653 178.7842 77 E 4.0384 9.0883 119.3757 59.2605 29.6954 178.7065 78 A 4.0604 8.7705 121.3233 55.0339 18.4287 179.5106 79 K 4.1324 8.7546 119.4461 59.1589 32.0864 178.8873 80 A 4.0874 8.2745 120.3241 55.0148 18.3721 178.6349 81 E 4.2898 7.8092 114.1643 56.6321 29.8965 177.4674 82 G 4.0477 7.8959 106.6286 45.0048 0.0000 174.2062 83 C 3.6654 7.9586 118.8431 59.5755 29.2766 173.4836 84 D 4.8336 7.7480 123.3745 53.4902 39.1524 173.3919 85 I 5.1882 7.7352 120.9624 59.2047 40.5849 174.8069 86 T 4.6769 8.9995 122.9979 61.7686 71.4077 172.9689 87 I 4.8559 8.4945 126.7150 59.5557 39.9288 174.9483 88 I 4.2616 9.1340 128.6708 59.8277 38.9986 175.1215 89 L 4.8408 8.5910 131.1882 53.7597 41.8437 177.9136 *90 S 4.2783 8.4142 119.4420 58.1560 62.9905 171.7290 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 M 8.30 4.45 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.87 0.00 2 K 8.29 3.99 0.00 1.81 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.51 7.81 3 K 8.93 4.13 0.00 1.63 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.47 7.81 4 A 8.89 4.48 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.72 4.70 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 0.80 0.00 0.00 0.97 0.00 0.00 6 I 8.61 4.09 1.05 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.19 0.23 0.00 0.00 7 N 8.67 4.75 0.00 2.81 2.78 0.00 0.00 6.96 7.63 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 8 G 9.45 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 0.00 0.00 0.00 9 E 8.21 3.99 0.00 2.10 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 0.00 2.29 2.29 0.00 10 Q 7.80 4.33 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 11 I 7.35 4.04 1.89 0.00 0.00 0.78 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 0.73 0.97 0.00 0.00 12 R 8.96 4.16 0.00 1.80 1.98 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 13 S 7.22 4.84 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.99 3.74 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.34 0.95 0.00 0.00 15 S 8.09 4.15 0.00 3.94 3.86 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 16 D 8.16 4.32 0.00 2.86 2.88 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 17 L 7.95 3.91 0.00 1.81 1.87 0.57 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.44 4.44 0.00 3.44 3.51 0.00 5.67 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 19 Q 8.61 4.17 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 20 T 8.01 3.86 4.31 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 1.08 0.00 0.00 21 L 8.32 3.89 0.00 1.82 1.67 1.08 0.69 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 22 K 8.36 3.51 0.00 1.86 2.00 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.31 7.81 23 K 7.89 3.90 0.00 1.91 1.87 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.49 7.81 24 E 8.31 3.97 0.00 1.95 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 0.00 2.37 2.47 0.00 25 L 7.92 4.28 0.00 1.70 1.66 1.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.36 3.71 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 27 L 7.62 3.87 0.00 1.14 0.84 -0.13 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 3.57 0.00 0.49 0.49 0.00 2.72 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.63 0.00 29 E 8.19 3.77 0.00 1.87 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 2.30 2.37 0.00 30 Y 7.12 4.36 0.00 3.02 3.04 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 31 Y 7.65 4.14 0.00 2.82 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 32 G 8.39 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 0.00 0.00 0.00 33 E 5.90 3.02 0.00 1.84 1.80 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 2.16 2.07 0.00 34 N 6.59 4.71 0.00 2.89 2.76 0.00 0.00 6.12 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 35 L 8.42 4.17 0.00 1.76 1.84 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.21 4.45 0.00 2.87 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 37 A 8.90 4.07 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 38 L 8.25 4.08 0.00 2.06 2.01 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.59 4.22 0.00 3.47 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 40 D 8.54 4.35 0.00 2.97 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 41 C 8.37 4.24 0.00 3.09 2.88 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 42 L 7.72 3.96 0.00 1.33 1.62 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.84 4.08 1.06 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 44 G 8.17 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 0.00 0.00 0.00 0.00 45 W 7.73 5.01 0.00 3.42 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 46 V 7.95 3.71 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 0.71 0.00 0.00 0.42 0.00 0.00 47 E 8.04 4.12 0.00 1.76 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 48 Y 7.87 5.01 0.00 2.99 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 49 P 0.00 4.91 0.00 2.14 2.42 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 50 L 9.28 4.81 0.00 1.94 1.83 1.04 0.92 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 51 V 8.45 4.73 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 1.02 0.00 0.00 0.96 0.00 0.00 52 L 8.98 4.87 0.00 1.60 1.36 0.71 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.47 4.88 0.00 2.04 1.82 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 2.27 2.43 0.00 54 W 9.43 5.09 0.00 3.46 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 9.36 4.45 0.00 2.02 1.90 0.00 3.35 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 56 Q 8.68 3.67 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 57 F 8.34 3.68 0.00 2.83 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 58 E 8.30 3.88 0.00 2.19 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 2.38 2.38 0.00 59 Q 8.36 4.88 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 60 S 7.86 4.24 0.00 4.21 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 0.00 61 K 7.51 3.74 0.00 1.56 1.78 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.37 7.81 62 Q 7.81 4.02 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.70 0.00 63 L 7.99 4.54 0.00 1.69 1.86 1.05 0.44 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 64 T 7.79 4.68 4.29 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 1.32 0.00 0.00 65 E 7.58 4.09 0.00 2.18 1.57 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 2.21 2.40 0.00 66 N 8.67 4.87 0.00 2.80 2.83 0.00 0.00 6.72 7.58 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 67 G 7.97 3.81 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 0.00 0.00 0.00 68 A 8.13 4.29 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 69 E 8.31 4.20 0.00 2.25 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 0.00 2.43 2.49 0.00 70 S 8.42 4.23 0.00 4.18 4.26 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 71 V 8.39 3.83 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 1.43 0.00 0.00 1.14 0.00 0.00 72 L 8.47 4.38 0.00 1.60 1.80 0.83 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.43 4.02 0.00 2.35 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 74 V 7.82 3.78 2.34 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 1.25 0.00 0.00 1.07 0.00 0.00 75 F 8.25 4.16 0.00 3.39 3.20 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 76 R 8.63 4.03 0.00 2.03 2.04 0.00 3.06 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 77 E 9.09 4.04 0.00 2.14 2.33 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 2.52 2.38 0.00 78 A 8.77 4.06 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 79 K 8.75 4.13 0.00 2.01 2.10 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.42 7.81 80 A 8.27 4.09 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 81 E 7.81 4.29 0.00 2.21 2.08 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 2.75 2.79 0.00 82 G 7.90 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 C 7.96 3.67 0.00 2.75 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 0.00 0.00 0.00 84 D 7.75 4.83 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 5.19 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.88 1.11 0.00 0.00 86 T 9.00 4.68 4.27 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 1.23 0.00 0.00 87 I 8.49 4.86 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.91 0.00 0.00 88 I 9.13 4.26 1.90 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 1.24 0.72 0.93 0.00 0.00 89 L 8.59 4.84 0.00 1.45 1.54 0.67 0.62 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 *90 S 8.41 4.28 0.00 3.61 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 * Residues marked with a * may have inaccurate shift predictions.