NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0337 8.0244 121.4399 61.3635 38.4233 175.2250 2 Q 4.2389 8.2959 124.0170 54.2562 30.5088 172.1378 3 K 4.6438 9.3532 126.8513 55.2908 35.1626 175.9586 4 T 5.0875 8.7717 121.3672 61.8850 69.0538 172.9519 5 P 4.7512 0.0000 0.0000 63.4508 32.5046 176.3969 6 Q 4.5635 8.8625 118.8090 53.6602 28.9676 174.8877 7 I 4.2021 7.8697 121.8839 61.7763 38.7725 175.8411 8 Q 4.5419 8.2834 120.9175 55.4805 33.7929 173.1031 9 V 4.8455 8.7337 125.1604 61.4582 33.2082 174.2065 10 Y 5.3406 7.8778 124.6128 56.3392 41.6269 173.7323 11 S 5.0272 8.8913 114.9799 57.1065 64.6755 174.2618 12 R 4.1625 8.6287 121.7713 59.2269 30.2908 176.1956 13 H 5.0702 8.0532 113.4503 52.5687 32.9226 171.0201 14 P 4.4219 0.0000 0.0000 62.3461 31.4045 174.4102 15 P 4.4628 0.0000 0.0000 63.1018 31.7534 176.0368 16 E 4.5520 8.6995 122.4702 55.5080 30.1608 173.0289 17 N 4.0139 8.9236 119.1637 55.1585 39.1827 173.5027 18 G 4.1206 10.6666 111.3040 46.0489 0.0000 172.5934 19 K 4.5096 7.5036 118.5464 53.2329 35.3876 173.5575 20 P 4.3110 0.0000 0.0000 63.7022 31.7611 175.1429 21 N 4.9804 10.9700 119.7162 51.8547 44.3301 173.3273 22 I 4.6346 8.1401 119.3524 59.2908 39.9899 175.2798 23 L 4.0281 8.4122 129.7502 54.9624 43.5442 175.7359 24 N 4.9622 8.5057 121.7032 51.7029 42.3292 172.7294 25 C 4.6085 9.1067 126.2124 55.3015 43.5799 172.1588 26 Y 5.0820 9.0481 130.2351 56.2543 39.3486 174.1256 27 V 4.2818 8.3555 127.4021 62.3643 33.3633 174.8914 28 T 3.9812 8.0122 115.6370 59.5938 72.6550 173.2677 29 Q 3.4061 6.8408 117.1069 56.7666 25.9696 173.0424 30 F 5.4008 7.3753 113.0897 55.8277 42.6664 174.8568 31 H 5.3952 9.1965 117.6169 54.5731 33.6641 171.6384 32 P 4.9267 0.0000 0.0000 61.4628 32.3458 174.2425 33 P 4.0888 0.0000 0.0000 65.6098 31.2533 176.9025 34 H 4.3156 7.8607 115.4050 55.5382 29.1798 174.3376 35 I 4.1516 7.5541 121.9259 60.5838 40.5377 172.3542 36 E 4.6422 7.9620 126.9051 54.6832 31.9063 174.7639 37 I 4.6369 8.2358 124.3924 59.5400 39.2879 175.0782 38 Q 4.2243 10.2267 127.5185 55.6389 30.3589 175.2116 39 M 4.7688 8.6804 123.5754 53.9006 33.4599 175.1441 40 L 5.4770 8.1554 124.0557 52.9462 44.8601 176.5317 41 K 4.5221 8.1627 121.6319 55.7453 33.3295 174.1209 42 N 4.0445 9.2040 126.3536 54.3235 35.8308 176.1765 43 G 4.0548 8.3859 110.1118 46.9483 0.0000 172.6915 44 K 3.9543 9.9835 119.0814 56.0294 32.4328 176.4418 45 K 4.3132 8.5769 125.2763 56.3906 32.8602 175.7001 46 I 4.3693 8.4594 126.8311 58.9410 38.0666 173.2451 47 P 4.1312 0.0000 0.0000 65.2547 31.4853 176.4051 48 K 4.0230 8.0038 122.5842 56.8067 33.3445 177.4476 49 V 4.1665 7.7934 123.2162 60.9766 32.4481 172.6196 50 E 4.1393 8.6511 127.1468 57.0252 30.4114 176.5320 51 M 5.0243 8.4185 125.2117 56.5464 35.4069 177.3720 52 S 3.2105 8.8630 115.7279 60.9860 60.9380 168.6977 *55 S 4.5306 8.0045 120.3935 57.5585 63.6047 172.3208 56 F 4.7292 7.2566 113.4793 55.5882 40.2345 175.3601 57 S 3.9749 7.9561 118.4426 56.7203 64.0079 174.9396 58 K 3.3906 8.1330 119.1979 59.6699 31.9557 177.0457 59 D 4.3568 7.7212 117.9106 52.8487 39.2990 178.1392 60 W 4.2095 7.8941 119.6189 57.4239 28.4449 174.7129 61 S 4.4296 7.6645 115.0978 58.2334 63.6688 173.6172 62 F 4.4555 9.0307 124.1418 57.4344 39.4948 174.3915 63 Y 4.8922 9.3809 122.6245 56.7739 40.5443 174.9607 64 I 4.6284 8.2922 118.9428 60.3217 42.1640 172.8201 65 L 5.3979 8.7335 128.3120 53.3153 45.1239 175.1139 66 A 5.2056 9.1440 127.6414 50.3976 22.1949 174.8372 67 H 5.4604 9.3033 116.4448 53.4042 32.4274 172.3153 68 T 4.5550 8.2093 116.3120 59.7539 70.6022 172.6129 69 E 4.5820 8.9182 129.5724 56.9722 30.5170 175.1617 70 F 4.6784 10.0481 117.5226 56.6353 41.7890 172.4484 71 T 4.5044 8.3477 113.3672 57.9924 69.7572 171.5101 72 P 4.7379 0.0000 0.0000 63.6868 32.6638 176.1876 73 T 4.9580 8.7106 120.3570 62.1824 71.0933 174.4713 74 E 4.8327 8.6413 120.9529 56.7011 30.5772 175.2889 75 T 4.5733 7.9126 112.0031 64.2401 72.4091 173.6802 76 D 4.6211 7.9003 118.9556 54.6658 41.7661 174.5629 77 T 4.7418 7.7755 109.0085 61.3474 72.5335 172.1880 78 Y 5.2124 8.6130 117.6809 57.0444 42.8917 173.8231 79 A 5.0048 8.3530 121.6217 51.5667 23.8141 174.0194 80 C 4.9987 8.8003 118.6169 54.8468 45.0699 172.5719 81 R 4.8674 9.0587 127.0497 54.7280 31.7124 174.5342 82 V 4.6823 8.7675 127.0953 60.9767 34.2722 174.2935 83 K 4.7618 8.4453 127.2305 55.1305 35.3298 174.4481 84 H 4.9616 8.5692 125.5228 54.3791 33.9439 172.8939 85 D 4.5941 8.5306 119.4261 55.0049 41.4875 176.7801 86 S 4.4134 7.5581 112.5695 59.9777 63.9645 173.4900 87 M 4.8860 7.3981 120.6069 53.0152 34.4190 175.0630 88 A 4.0856 8.8628 126.9382 54.9884 18.5126 177.1857 89 E 4.7821 7.5986 111.0060 53.2146 33.2216 173.9520 90 P 4.5444 0.0000 0.0000 63.0596 32.2559 175.9105 91 K 4.5577 8.8648 124.1760 54.9970 34.3510 174.9105 92 T 4.9750 8.4310 123.2981 61.6825 71.6884 173.9391 93 V 4.1851 8.3945 124.7168 60.9517 34.1430 174.2881 94 Y 4.6828 8.3454 125.8734 57.5772 38.6499 176.1669 95 W 4.4072 9.7519 134.8354 57.0966 30.9171 176.4299 96 D 4.6320 7.9908 127.6197 54.6940 40.0891 177.1564 97 R 3.1099 5.8400 120.1219 59.1333 30.6111 177.8663 98 D 4.4140 7.9653 118.0896 57.0025 40.9327 176.6879 99 M 4.0361 9.0873 121.6842 55.9570 32.0762 175.6688 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 I 8.02 4.03 1.77 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 1.26 1.05 0.92 0.00 0.00 2 Q 8.30 4.24 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 3 K 9.35 4.64 0.00 1.90 1.82 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.53 7.81 4 T 8.77 5.09 4.28 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 1.24 0.00 0.00 5 P 0.00 4.75 0.00 1.97 1.76 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 6 Q 8.86 4.56 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 7 I 7.87 4.20 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.30 0.93 0.00 0.00 8 Q 8.28 4.54 0.00 2.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 9 V 8.73 4.85 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 0.72 0.00 0.00 0.97 0.00 0.00 10 Y 7.88 5.34 0.00 3.34 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 11 S 8.89 5.03 0.00 4.04 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 12 R 8.63 4.16 0.00 1.99 2.05 0.00 3.24 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 13 H 8.05 5.07 0.00 3.09 3.17 0.00 5.96 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.42 0.00 2.24 2.14 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 15 P 0.00 4.46 0.00 2.47 2.52 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 16 E 8.70 4.55 0.00 1.94 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 2.23 2.26 0.00 17 N 8.92 4.01 0.00 2.83 2.77 0.00 0.00 7.36 7.98 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 18 G 10.67 4.12 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 0.00 0.00 0.00 19 K 7.50 4.51 0.00 2.06 1.55 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.39 7.81 20 P 0.00 4.31 0.00 1.89 1.92 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 21 N 10.97 4.98 0.00 2.10 2.34 0.00 0.00 6.45 7.20 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 22 I 8.14 4.63 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 0.89 0.00 0.00 23 L 8.41 4.03 0.00 1.23 1.16 -1.08 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.51 4.96 0.00 1.63 2.15 0.00 0.00 6.53 8.25 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 25 C 9.11 4.61 0.00 2.88 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 26 Y 9.05 5.08 0.00 3.26 3.18 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 27 V 8.36 4.28 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 0.87 0.00 0.00 0.91 0.00 0.00 28 T 8.01 3.98 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 -0.07 0.00 0.00 29 Q 6.84 3.41 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.06 0.00 30 F 7.38 5.40 0.00 3.08 3.16 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 31 H 9.20 5.40 0.00 3.46 3.32 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.93 0.00 1.97 2.13 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 33 P 0.00 4.09 0.00 1.65 0.49 0.00 3.42 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.43 0.00 34 H 7.86 4.32 0.00 3.14 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.55 4.15 1.38 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.12 0.82 0.00 0.00 36 E 7.96 4.64 0.00 2.08 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 0.00 2.16 2.22 0.00 37 I 8.24 4.64 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 0.87 0.00 0.00 38 Q 10.23 4.22 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 39 M 8.68 4.77 0.00 1.85 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 2.52 2.42 0.00 40 L 8.16 5.48 0.00 1.61 1.68 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.16 4.52 0.00 1.96 1.76 0.00 2.26 0.00 0.00 1.85 0.00 0.00 3.58 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.31 1.38 7.81 42 N 9.20 4.04 0.00 2.98 2.81 0.00 0.00 6.76 9.15 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 43 G 8.39 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 44 K 9.98 3.95 0.00 2.16 1.79 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.40 7.81 45 K 8.58 4.31 0.00 1.72 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.46 7.81 46 I 8.46 4.37 2.02 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 1.33 0.81 0.96 0.00 0.00 47 P 0.00 4.13 0.00 2.04 1.93 0.00 3.68 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 2.03 2.08 0.00 48 K 8.00 4.02 0.00 1.68 1.70 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 49 V 7.79 4.17 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 0.76 0.00 0.00 0.91 0.00 0.00 50 E 8.65 4.14 0.00 1.99 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 2.31 2.22 0.00 51 M 8.42 5.02 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 52 S 8.86 3.21 0.00 3.70 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 *55 S 8.00 4.53 0.00 3.67 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 56 F 7.26 4.73 0.00 2.60 1.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 3.97 0.00 3.61 3.09 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 0.00 0.00 0.00 58 K 8.13 3.39 0.00 1.57 1.69 0.00 1.44 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.20 1.23 7.81 59 D 7.72 4.36 0.00 2.88 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 60 W 7.89 4.21 0.00 3.59 3.41 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 61 S 7.66 4.43 0.00 3.94 4.15 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 62 F 9.03 4.46 0.00 2.66 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 63 Y 9.38 4.89 0.00 2.57 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 64 I 8.29 4.63 2.22 0.00 0.00 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 1.26 1.11 1.06 0.00 0.00 65 L 8.73 5.40 0.00 1.86 1.58 0.99 0.88 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 66 A 9.14 5.21 1.22 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 0.00 0.00 67 H 9.30 5.46 0.00 3.15 3.43 0.00 5.50 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.21 4.56 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 1.04 0.00 0.00 69 E 8.92 4.58 0.00 1.98 1.81 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 2.27 2.46 0.00 70 F 10.05 4.68 0.00 2.60 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 71 T 8.35 4.50 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 1.20 0.00 0.00 72 P 0.00 4.74 0.00 2.39 2.36 0.00 3.53 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 73 T 8.71 4.96 4.41 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 1.28 0.00 0.00 74 E 8.64 4.83 0.00 2.03 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 2.40 2.29 0.00 75 T 7.91 4.57 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 1.23 0.00 0.00 76 D 7.90 4.62 0.00 2.69 2.44 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 0.00 0.00 0.00 0.00 77 T 7.78 4.74 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 1.21 0.00 0.00 78 Y 8.61 5.21 0.00 2.80 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 79 A 8.35 5.00 1.04 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 80 C 8.80 5.00 0.00 2.96 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 81 R 9.06 4.87 0.00 1.80 1.71 0.00 3.07 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 82 V 8.77 4.68 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 0.77 0.00 0.00 0.85 0.00 0.00 83 K 8.45 4.76 0.00 1.71 1.53 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.33 7.81 84 H 8.57 4.96 0.00 3.01 2.98 0.00 5.74 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.53 4.59 0.00 2.59 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 86 S 7.56 4.41 0.00 4.06 4.09 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 0.00 0.00 0.00 87 M 7.40 4.89 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 88 A 8.86 4.09 1.28 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 0.00 0.00 89 E 7.60 4.78 0.00 1.91 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 2.18 2.27 0.00 90 P 0.00 4.54 0.00 1.90 2.04 0.00 3.62 0.00 0.00 3.56 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 91 K 8.86 4.56 0.00 1.82 1.59 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.38 7.81 92 T 8.43 4.98 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 0.65 0.00 0.00 93 V 8.39 4.19 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 1.03 0.00 0.00 0.90 0.00 0.00 94 Y 8.35 4.68 0.00 3.00 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 95 W 9.75 4.41 0.00 3.22 3.49 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 96 D 7.99 4.63 0.00 2.76 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 5.84 3.11 0.00 1.51 0.66 0.00 3.03 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.41 0.00 98 D 7.97 4.41 0.00 2.84 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 99 M 9.09 4.04 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 * Residues marked with a * may have inaccurate shift predictions.