NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6584 8.2785 118.1257 53.5263 40.8881 176.7027 0 A 3.7990 8.2490 119.2982 52.9918 18.4910 177.4789 2 S 3.4904 9.0894 113.3203 62.2382 64.6223 172.6592 3 Q 4.1206 8.5083 123.0510 58.9592 28.3565 178.3470 4 E 4.4552 8.2586 120.1233 58.5234 29.7683 178.6857 5 A 4.0868 7.9173 120.6673 54.8482 18.4702 179.2329 6 F 4.4270 8.4789 119.5201 61.5355 39.4258 177.3218 7 E 3.8588 8.6520 118.7021 59.2251 29.1311 178.8703 8 N 4.2983 8.1593 117.1945 56.4146 39.0349 176.8799 9 K 3.9070 7.9370 120.6630 59.5221 32.1359 178.4560 10 L 3.7748 7.5842 118.2178 58.1941 41.9708 178.7886 11 Y 4.0803 8.0892 118.9098 60.6117 38.8224 177.7371 12 A 4.0474 8.3994 121.8847 55.1885 18.4720 179.2311 13 N 4.4083 8.1213 114.6176 55.6934 38.6565 177.0249 14 L 4.1115 7.4970 119.5491 56.2972 41.4285 178.2822 15 E 4.0815 7.8050 117.8043 57.7011 29.4674 177.5397 16 A 4.5352 7.6700 120.0183 51.0408 19.4555 176.5653 17 V 4.3217 7.2736 119.4359 60.7676 32.9746 174.6240 18 I 4.6817 8.1279 128.9182 59.5908 39.2058 175.0831 19 D 4.3614 9.0157 127.2644 53.3448 41.2603 175.1140 20 P 4.2401 0.0000 0.0000 65.7442 31.7995 177.7587 21 E 4.0991 8.1090 116.3261 59.3874 29.3831 178.4082 22 L 4.1653 8.0254 115.9099 54.9035 42.2843 177.7080 23 G 3.8764 8.5058 106.1559 45.8759 0.0000 173.2048 24 V 4.4386 7.2931 118.1214 59.8741 34.5453 174.8650 25 D 4.9493 8.3346 125.6760 53.2177 41.4972 177.5645 26 I 3.7214 8.3500 115.1106 63.7949 37.5325 178.6576 27 V 3.4407 7.5975 119.8273 66.1374 31.2698 177.5843 28 N 4.3962 8.9412 115.3722 56.3031 38.4565 177.1865 29 L 4.3814 7.8753 119.5084 55.8130 41.6443 178.1179 30 G 4.1626 8.1315 106.4366 46.0611 0.0000 174.5503 31 L 4.0302 7.9929 120.7460 55.8503 41.9441 177.2854 32 V 4.0267 7.7071 118.6716 61.9108 31.9563 174.7357 33 Y 4.8130 8.7159 125.7775 59.7555 39.0774 175.5504 34 D 4.6826 7.5736 116.2685 53.1912 44.7654 174.4249 35 V 5.0084 8.5158 124.6351 61.3233 34.2836 174.5254 36 T 5.1053 8.9540 116.9984 59.9000 72.1928 172.6628 37 A 5.3483 9.2578 124.7740 50.4670 22.4918 175.6752 38 D 4.7952 8.7409 120.7759 51.4346 41.7825 177.0442 39 E 3.8749 8.7609 117.7359 59.3866 29.3109 178.0244 40 N 4.6959 8.2509 113.1507 52.6136 38.9742 174.3916 41 N 4.3997 8.4087 115.2201 54.3548 36.6621 173.1301 42 N 5.1996 8.8643 116.5476 52.8266 39.9256 174.2768 43 A 5.2903 9.1879 125.7141 50.1136 22.6382 175.3031 44 V 4.6645 8.9157 120.4397 61.2040 34.5997 174.3211 45 I 4.8443 9.0145 129.5777 60.1505 39.0445 174.8646 46 T 5.1990 8.9882 124.4119 61.0186 70.4167 174.1933 *48 T 4.2559 8.5374 117.0948 61.9582 67.5731 175.4307 *50 T 3.5959 8.5006 106.7529 60.9712 70.7334 174.0263 51 S 4.7585 7.4131 114.0763 56.9532 65.4162 175.1738 52 I 2.5803 8.3188 121.7409 63.0948 37.7953 176.7914 53 G 3.8511 7.7185 107.0462 44.9589 0.0000 172.7675 54 C 3.9690 7.8081 120.7522 59.2373 31.9833 173.1223 55 P 4.4461 0.0000 0.0000 62.1477 30.3987 176.4567 *57 A 4.3845 7.9464 124.1417 52.2877 21.1821 179.6280 58 G 3.6172 8.1137 101.9716 48.1229 0.0000 175.4366 59 Q 3.9902 8.0217 121.9236 58.7655 29.0209 178.3384 60 I 3.6512 7.5985 120.3490 64.2729 37.2608 178.2804 61 V 3.5260 7.8620 119.1478 66.2497 31.3255 178.2061 62 S 4.1147 8.0816 114.7770 61.6599 62.6522 176.2684 63 D 4.3374 8.1618 120.7995 57.0320 40.9182 178.3316 64 V 3.6284 8.1022 119.2993 66.0384 31.5126 178.2418 65 K 3.9424 7.9825 118.1087 59.1813 31.8713 178.9634 66 K 3.7761 8.4060 120.3450 59.7254 32.1054 178.7959 67 V 3.5642 8.2091 118.4440 66.0188 31.4699 178.1188 68 L 3.9539 7.8717 118.8659 57.8632 41.3077 179.7024 69 S 4.1718 7.8609 112.9201 61.3937 62.9415 176.3688 70 T 4.1262 7.8189 118.5090 66.2184 68.6761 176.2908 71 N 4.7265 8.5235 115.6967 53.3127 40.4823 175.7396 72 V 4.4640 7.6378 120.2445 59.7259 31.2493 173.7373 73 P 4.5189 0.0000 0.0000 65.1208 31.7380 177.4583 74 E 4.2618 8.1451 113.6113 56.7497 30.1236 177.2511 75 V 4.2556 8.1329 120.3087 62.0419 33.8632 175.6345 76 N 4.6406 9.3981 119.1372 53.6767 39.7645 177.2773 77 E 4.2608 6.2118 127.0060 56.7898 31.8216 174.8901 78 I 4.9524 8.2862 125.7774 59.5158 40.1831 174.1914 79 E 4.6328 9.1876 128.6514 54.2590 32.0331 174.4822 80 V 4.7453 8.4181 126.4910 61.2623 33.6533 174.0813 81 N 4.8858 9.1433 126.3012 51.5196 40.8026 173.8463 82 V 4.0615 8.2437 124.3541 61.5053 32.4431 175.4195 83 V 4.2413 7.6745 119.5690 59.4384 35.0045 175.6867 84 W 5.1179 8.5062 117.7613 56.3314 30.2068 175.2840 85 N 5.0878 8.0995 115.9100 50.7174 41.4983 172.7229 86 P 4.5617 0.0000 0.0000 61.9203 32.1939 174.2616 87 P 4.7242 0.0000 0.0000 61.7302 32.0633 176.5789 88 W 4.5078 8.8562 131.7464 57.8318 31.5526 174.9402 89 S 3.9932 6.9340 116.2713 56.0428 65.3748 175.1210 90 K 3.5373 7.6188 119.6385 59.3265 32.4055 178.0941 91 E 3.9447 7.2264 118.0376 59.2790 29.5364 178.1501 92 R 4.0809 7.0567 118.7955 54.8175 28.4059 175.5786 *94 S 4.2709 7.7184 116.3198 57.4911 64.6707 175.7391 95 R 3.9570 8.4532 116.9217 57.5009 30.0088 177.6824 *97 A 4.3388 8.1113 120.7508 51.7545 20.5717 180.0335 98 K 4.1243 8.2723 115.3682 59.5041 32.1311 179.8240 99 I 3.7172 7.9577 119.9407 64.2626 37.0155 178.3125 100 A 4.1039 7.9147 121.0952 55.2545 18.1617 179.3904 101 L 3.9475 8.3277 115.9841 56.9788 41.7884 179.4145 102 G 3.7424 7.8003 104.8500 46.6450 0.0000 174.3507 103 I 4.2810 7.0497 119.1991 62.6134 38.8623 176.8349 104 R 4.3589 8.5962 121.2156 52.4042 28.4384 176.2621 105 D 4.3085 7.9846 120.4666 54.9609 41.6784 176.9718 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 N 8.28 4.66 0.00 2.85 2.93 0.00 0.00 6.87 6.44 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 0 A 8.25 3.80 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 2 S 9.09 3.49 0.00 3.95 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 0.00 3 Q 8.51 4.12 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 E 8.26 4.46 0.00 2.10 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 2.18 0.00 5 A 7.92 4.09 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 6 F 8.48 4.43 0.00 3.14 3.24 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 7 E 8.65 3.86 0.00 2.17 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 2.33 2.49 0.00 8 N 8.16 4.30 0.00 2.98 3.01 0.00 0.00 6.81 7.07 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 9 K 7.94 3.91 0.00 1.96 1.94 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.52 7.81 10 L 7.58 3.77 0.00 1.59 1.57 0.47 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.09 4.08 0.00 3.13 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 12 A 8.40 4.05 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 13 N 8.12 4.41 0.00 2.83 2.83 0.00 0.00 6.95 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.50 4.11 0.00 1.52 1.50 0.80 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.80 4.08 0.00 2.01 1.95 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 2.26 2.31 0.00 16 A 7.67 4.54 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 17 V 7.27 4.32 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 1.09 0.00 0.00 0.86 0.00 0.00 18 I 8.13 4.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.97 0.95 0.00 0.00 19 D 9.02 4.36 0.00 2.61 2.57 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 0.00 0.00 0.00 20 P 0.00 4.24 0.00 2.05 2.08 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 21 E 8.11 4.10 0.00 2.05 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 2.33 2.26 0.00 22 L 8.03 4.17 0.00 1.59 1.72 0.87 0.92 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 23 G 8.51 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 24 V 7.29 4.44 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 1.10 0.00 0.00 1.01 0.00 0.00 25 D 8.33 4.95 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 3.72 1.75 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 1.53 0.64 0.85 0.00 0.00 27 V 7.60 3.44 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 0.92 0.00 0.00 0.34 0.00 0.00 28 N 8.94 4.40 0.00 2.77 2.91 0.00 0.00 7.20 7.81 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 29 L 7.88 4.38 0.00 1.75 1.76 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.13 4.16 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 0.00 31 L 7.99 4.03 0.00 1.52 1.64 0.69 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.71 4.03 2.24 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 0.93 0.00 0.00 0.83 0.00 0.00 33 Y 8.72 4.81 0.00 3.06 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 34 D 7.57 4.68 0.00 2.82 2.49 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 35 V 8.52 5.01 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 0.87 0.00 0.00 1.08 0.00 0.00 36 T 8.95 5.11 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 1.22 0.00 0.00 37 A 9.26 5.35 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 38 D 8.74 4.80 0.00 2.93 2.86 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 39 E 8.76 3.87 0.00 1.97 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 2.33 2.30 0.00 40 N 8.25 4.70 0.00 2.70 2.82 0.00 0.00 6.96 8.00 0.00 0.00 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 N 8.41 4.40 0.00 2.90 2.99 0.00 0.00 7.02 7.13 0.00 0.00 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 N 8.86 5.20 0.00 2.99 2.77 0.00 0.00 6.77 6.64 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 43 A 9.19 5.29 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 44 V 8.92 4.66 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 0.97 0.00 0.00 0.94 0.00 0.00 45 I 9.01 4.84 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 0.87 0.00 0.00 46 T 8.99 5.20 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 1.24 0.00 0.00 *48 T 8.54 4.26 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 0.96 0.00 0.00 *50 T 8.50 3.60 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 0.19 0.00 0.00 51 S 7.41 4.76 0.00 4.01 4.03 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 52 I 8.32 2.58 1.37 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 0.68 -0.36 0.68 0.00 0.00 53 G 7.72 3.85 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 0.00 0.00 0.00 54 C 7.81 3.97 0.00 3.03 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 55 P 0.00 4.45 0.00 2.07 2.01 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 *57 A 7.95 4.38 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 58 G 8.11 3.62 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 0.00 0.00 0.00 59 Q 8.02 3.99 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 60 I 7.60 3.65 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.45 0.82 0.00 0.00 61 V 7.86 3.53 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 1.00 0.00 0.00 0.88 0.00 0.00 62 S 8.08 4.11 0.00 4.04 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 63 D 8.16 4.34 0.00 2.93 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 64 V 8.10 3.63 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 0.92 0.00 0.00 0.86 0.00 0.00 65 K 7.98 3.94 0.00 1.96 1.83 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.60 7.81 66 K 8.41 3.78 0.00 1.85 1.95 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 67 V 8.21 3.56 2.15 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 0.77 0.00 0.00 0.92 0.00 0.00 68 L 7.87 3.95 0.00 1.72 1.66 0.86 0.81 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 69 S 7.86 4.17 0.00 4.05 4.01 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 70 T 7.82 4.13 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 1.21 0.00 0.00 71 N 8.52 4.73 0.00 2.71 2.86 0.00 0.00 6.81 7.55 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 72 V 7.64 4.46 2.24 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 1.28 0.00 0.00 0.91 0.00 0.00 73 P 0.00 4.52 0.00 2.10 2.14 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 74 E 8.15 4.26 0.00 2.01 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 2.41 2.11 0.00 75 V 8.13 4.26 2.32 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 0.86 0.00 0.00 1.12 0.00 0.00 76 N 9.40 4.64 0.00 2.79 2.44 0.00 0.00 6.91 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 77 E 6.21 4.26 0.00 2.10 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 2.32 2.30 0.00 78 I 8.29 4.95 1.87 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 1.24 0.81 0.89 0.00 0.00 79 E 9.19 4.63 0.00 2.01 1.77 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 2.19 2.21 0.00 80 V 8.42 4.75 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 0.84 0.00 0.00 0.89 0.00 0.00 81 N 9.14 4.89 0.00 2.59 2.65 0.00 0.00 6.14 7.23 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 82 V 8.24 4.06 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 0.11 0.00 0.00 0.78 0.00 0.00 83 V 7.67 4.24 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 0.86 0.00 0.00 0.92 0.00 0.00 84 W 8.51 5.12 0.00 3.31 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 85 N 8.10 5.09 0.00 2.76 2.75 0.00 0.00 7.07 8.02 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 86 P 0.00 4.56 0.00 2.17 2.03 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 87 P 0.00 4.72 0.00 2.19 2.18 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 88 W 8.86 4.51 0.00 3.31 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 6.93 3.99 0.00 3.70 3.68 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 0.00 0.00 0.00 90 K 7.62 3.54 0.00 1.82 1.90 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.33 7.81 91 E 7.23 3.94 0.00 1.85 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 2.26 2.15 0.00 92 R 7.06 4.08 0.00 1.78 2.01 0.00 3.20 0.00 0.00 3.55 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.41 0.00 *94 S 7.72 4.27 0.00 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.45 3.96 0.00 1.88 1.96 0.00 3.21 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 *97 A 8.11 4.34 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 98 K 8.27 4.12 0.00 1.97 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 99 I 7.96 3.72 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 1.46 0.95 0.92 0.00 0.00 100 A 7.91 4.10 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 0.00 101 L 8.33 3.95 0.00 1.74 1.79 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.80 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 0.00 103 I 7.05 4.28 1.88 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 1.47 0.96 0.92 0.00 0.00 104 R 8.60 4.36 0.00 1.77 1.89 0.00 3.32 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 105 D 7.98 4.31 0.00 2.78 2.64 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 * Residues marked with a * may have inaccurate shift predictions.