NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 Q 4.3746 8.2033 119.1188 54.7106 29.8813 175.3809 4 E 4.1071 8.4581 120.6517 57.7715 29.2475 174.0944 5 V 3.5553 8.4412 119.6441 66.0718 31.9044 177.4438 6 E 3.9762 8.0008 117.8145 59.0156 28.4869 178.0104 7 E 4.2265 8.0873 117.5982 57.6587 29.6864 177.7786 8 T 4.2343 7.2703 113.8800 66.0227 69.9574 176.3245 9 L 3.9654 8.0051 121.9636 57.4515 41.3890 178.3611 10 K 4.1574 7.5874 117.5306 58.3774 32.5059 178.3680 11 R 4.0265 7.2366 117.6388 58.5400 30.0827 178.6303 12 I 4.0102 7.4616 119.5402 63.9123 37.4202 177.7478 13 Q 4.1131 7.4664 117.8585 57.9206 28.8005 176.8666 14 S 4.6764 7.1944 111.2015 58.2146 63.7570 173.6805 15 H 4.2381 8.9121 122.4338 56.2432 30.0674 174.3153 16 K 4.0008 8.1733 124.5161 58.2644 31.4343 176.5052 17 G 3.9063 9.1981 112.6101 45.0500 0.0000 172.1102 18 V 4.3122 7.3866 119.6122 61.9137 32.5921 175.3403 19 V 4.0730 8.8937 127.7185 64.5264 32.7095 175.5376 20 G 4.2592 7.6171 104.9364 45.5532 0.0000 171.0635 21 T 5.1905 8.1894 114.3946 62.4152 73.3847 173.5561 22 I 5.0294 8.8768 125.3943 59.7733 42.2535 174.0734 23 V 4.8078 8.7375 124.8204 61.2962 34.7182 174.5585 24 V 5.4060 8.9393 125.8048 60.1934 35.8932 172.8200 25 N 5.5960 8.3724 118.4508 50.7786 40.5422 175.3535 26 N 3.9547 9.1271 117.2618 56.0270 37.1778 175.7797 27 E 4.2154 8.1145 115.5377 56.4088 30.1253 176.4663 28 G 3.9007 9.2490 108.1384 46.1111 0.0000 173.2859 29 I 4.4744 8.0141 120.2858 58.0913 39.2246 174.0382 30 P 4.4808 0.0000 0.0000 62.7450 31.3638 174.6867 31 V 3.9558 8.5987 122.2740 62.0347 33.0521 175.6148 32 K 4.5800 7.3614 116.5905 55.0349 34.8972 175.6224 33 S 4.8134 7.9765 111.5141 58.2926 64.9401 175.3160 34 T 4.4892 8.9610 118.3941 61.5992 68.8703 174.3202 35 L 4.8435 7.3121 120.5136 52.3997 45.4440 176.7680 36 D 4.4258 8.5060 120.5240 54.1229 40.6702 177.3453 37 N 4.3052 8.8082 121.0417 56.8873 38.8662 177.1922 38 T 3.9281 7.8162 110.2304 65.0556 69.2322 176.3332 39 T 4.0886 8.2341 118.3365 66.7639 68.5202 176.8724 40 T 3.9370 8.2353 117.8830 66.7897 68.4254 176.5797 41 V 3.6783 8.0526 120.1711 66.7355 31.6744 177.7448 42 Q 3.7719 8.0246 116.5782 59.6209 28.5610 179.4186 43 Y 3.8753 8.2856 116.3278 61.1953 38.2064 178.2372 44 A 4.1243 7.8034 120.2754 55.5903 18.4954 179.4882 45 G 3.7353 8.1112 103.4715 48.2585 0.0000 175.6878 46 L 3.9524 8.0010 121.6665 57.5497 41.7880 179.6263 47 M 4.1392 8.5185 118.9701 58.3562 31.8235 178.7800 48 S 4.0899 8.2441 113.2431 61.4700 62.5852 176.0163 49 Q 3.9651 7.9485 120.4666 58.9994 28.5001 178.4565 50 L 3.9043 8.3713 121.2105 58.5105 41.9828 178.9609 51 A 4.0211 8.6097 120.5635 55.5152 18.1661 178.9280 52 D 4.2868 8.3771 117.4323 57.1457 40.7793 178.4628 53 K 3.7669 8.3346 119.4842 59.9383 32.2443 178.2086 54 A 4.2832 8.1088 120.4277 55.6820 18.4418 179.5094 55 R 3.9636 8.2410 116.0342 59.7701 30.1931 179.5509 56 S 4.1158 8.3269 114.8332 61.4028 63.0173 176.4185 57 V 3.5483 8.5574 122.2483 66.3959 31.0401 178.2016 58 V 3.6144 8.2821 117.8652 66.1752 31.1080 178.2058 59 R 4.1976 7.5890 117.7545 58.4720 29.9058 178.1150 60 D 4.5891 7.7245 117.6109 56.4495 41.2687 178.5521 61 L 4.2393 7.9618 118.8325 56.3845 41.7466 177.0290 62 D 4.3357 7.2144 114.9690 53.0011 44.5503 174.6373 63 P 4.3893 0.0000 0.0000 65.0227 31.6709 177.0696 64 S 4.6220 9.2819 113.2987 57.8953 62.9861 173.1578 65 N 5.0731 7.8973 117.9993 52.1923 41.4017 173.1888 66 D 4.8383 8.3568 122.9177 52.2933 44.3484 175.4108 67 M 4.2530 8.7514 123.9402 55.9082 32.9088 175.5961 68 T 4.5173 8.2263 113.6604 62.3868 71.0249 174.2918 69 F 5.1428 7.7087 121.0342 57.1843 42.5215 172.9835 70 L 4.8515 8.9875 127.6373 53.3069 45.7652 175.3429 71 R 4.9887 8.1287 120.1747 55.1317 32.3282 174.2469 72 V 4.3860 8.6329 117.3196 59.3585 34.2752 174.7446 73 R 4.8073 8.5930 125.2667 54.7087 31.4831 175.6415 74 S 4.7357 9.0119 122.4472 56.5789 65.1619 174.3896 75 K 4.1410 8.4303 119.9753 59.6853 31.8556 179.1396 76 K 4.0848 7.9047 117.2956 58.9916 32.4539 175.7379 77 H 4.5488 7.0459 112.2494 55.4209 31.5334 172.3804 78 E 5.1638 8.7587 118.9392 54.5451 32.6503 174.4479 79 I 5.0627 8.8571 127.5701 59.8112 39.7189 174.6389 80 M 5.2121 9.0425 123.5957 53.7980 35.3918 175.3173 81 V 4.6857 8.6915 118.8248 62.4123 34.7125 173.0323 82 A 5.0956 8.9376 132.5537 49.9806 19.8302 173.4676 83 P 5.0187 0.0000 0.0000 62.2884 32.9717 176.1656 84 D 4.8229 8.9376 124.7067 54.5801 42.3982 175.9642 85 K 4.5271 9.3335 122.5643 56.6368 29.0271 177.2537 86 D 4.6941 7.7629 112.9191 52.5982 42.7500 174.5061 87 F 5.8282 8.0389 117.8961 55.6581 43.4461 173.8010 88 I 5.1546 8.7797 115.1479 59.1755 41.2559 173.8015 89 L 4.8361 8.7362 128.3300 53.8158 43.3529 175.0419 90 I 4.8448 8.5991 128.3159 60.5739 39.1591 175.6547 91 V 4.8165 8.8150 118.7774 59.8984 36.2508 174.2169 92 I 4.6787 8.2592 125.6554 60.2157 38.8210 174.7160 93 Q 4.9433 9.2734 127.3851 54.5447 32.9976 174.0338 94 N 5.1142 9.5712 122.6878 50.6412 38.4258 173.1248 95 P 4.4538 0.0000 0.0000 63.0659 32.0336 175.8967 96 T 4.4945 8.0630 112.9523 62.7962 68.0558 173.7429 *97 D 4.4530 8.2978 123.8304 52.9560 40.5341 177.9141 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 Q 8.20 4.37 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 4 E 8.46 4.11 0.00 2.06 2.03 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 2.39 2.27 0.00 5 V 8.44 3.56 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 1.09 0.00 0.00 0.89 0.00 0.00 6 E 8.00 3.98 0.00 2.08 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 2.37 2.39 0.00 7 E 8.09 4.23 0.00 1.97 2.11 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 2.29 2.33 0.00 8 T 7.27 4.23 4.37 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 1.17 0.00 0.00 9 L 8.01 3.97 0.00 1.86 1.64 0.86 0.63 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 10 K 7.59 4.16 0.00 1.96 1.79 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.44 7.81 11 R 7.24 4.03 0.00 2.09 1.97 0.00 3.14 0.00 0.00 3.35 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 12 I 7.46 4.01 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.90 0.00 0.00 13 Q 7.47 4.11 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 14 S 7.19 4.68 0.00 4.02 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 15 H 8.91 4.24 0.00 3.19 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.17 4.00 0.00 1.60 1.68 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 17 G 9.20 3.91 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 0.00 0.00 0.00 18 V 7.39 4.31 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 0.78 0.00 0.00 1.09 0.00 0.00 19 V 8.89 4.07 2.03 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 0.76 0.00 0.00 0.94 0.00 0.00 20 G 7.62 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 0.00 0.00 0.00 21 T 8.19 5.19 4.20 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 1.18 0.00 0.00 22 I 8.88 5.03 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.52 0.92 0.00 0.00 23 V 8.74 4.81 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 0.81 0.00 0.00 0.87 0.00 0.00 24 V 8.94 5.41 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 1.11 0.00 0.00 0.98 0.00 0.00 25 N 8.37 5.60 0.00 2.85 3.11 0.00 0.00 5.66 6.96 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 26 N 9.13 3.95 0.00 2.76 2.95 0.00 0.00 6.97 6.76 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 27 E 8.11 4.22 0.00 1.99 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 2.26 2.24 0.00 28 G 9.25 3.90 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 0.00 0.00 0.00 29 I 8.01 4.47 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.13 0.94 0.00 0.00 30 P 0.00 4.48 0.00 2.05 2.00 0.00 3.67 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 2.05 2.10 0.00 31 V 8.60 3.96 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 0.72 0.00 0.00 0.98 0.00 0.00 32 K 7.36 4.58 0.00 1.78 1.63 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.36 7.81 33 S 7.98 4.81 0.00 3.74 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 34 T 8.96 4.49 4.21 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 1.17 0.00 0.00 35 L 7.31 4.84 0.00 1.49 1.50 0.59 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.51 4.43 0.00 2.95 2.82 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 37 N 8.81 4.31 0.00 2.86 2.86 0.00 0.00 6.96 7.22 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 38 T 7.82 3.93 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 39 T 8.23 4.09 4.53 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 1.35 0.00 0.00 40 T 8.24 3.94 4.40 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 1.22 0.00 0.00 41 V 8.05 3.68 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 1.06 0.00 0.00 1.07 0.00 0.00 42 Q 8.02 3.77 0.00 2.51 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 43 Y 8.29 3.88 0.00 3.06 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 44 A 7.80 4.12 1.45 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 0.00 0.00 0.00 45 G 8.11 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 46 L 8.00 3.95 0.00 1.64 1.67 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.52 4.14 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.97 0.00 48 S 8.24 4.09 0.00 4.27 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 49 Q 7.95 3.97 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 50 L 8.37 3.90 0.00 1.79 1.85 0.91 1.01 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 51 A 8.61 4.02 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 52 D 8.38 4.29 0.00 2.98 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 0.00 0.00 0.00 0.00 53 K 8.33 3.77 0.00 1.87 1.97 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 54 A 8.11 4.28 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 55 R 8.24 3.96 0.00 2.21 2.03 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 56 S 8.33 4.12 0.00 4.06 3.90 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 57 V 8.56 3.55 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 0.99 0.00 0.00 0.93 0.00 0.00 58 V 8.28 3.61 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 0.99 0.00 0.00 1.01 0.00 0.00 59 R 7.59 4.20 0.00 2.09 1.98 0.00 3.33 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 60 D 7.72 4.59 0.00 2.67 2.71 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 61 L 7.96 4.24 0.00 1.76 1.73 0.92 0.80 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 62 D 7.21 4.34 0.00 2.57 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 63 P 0.00 4.39 0.00 2.08 2.09 0.00 3.72 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 2.02 2.07 0.00 64 S 9.28 4.62 0.00 3.87 3.94 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 65 N 7.90 5.07 0.00 2.64 2.78 0.00 0.00 6.91 8.47 0.00 0.00 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 D 8.36 4.84 0.00 2.65 2.52 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 0.00 67 M 8.75 4.25 0.00 2.00 1.99 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 2.62 2.64 0.00 68 T 8.23 4.52 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 1.32 0.00 0.00 69 F 7.71 5.14 0.00 2.86 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 70 L 8.99 4.85 0.00 1.74 1.44 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.13 4.99 0.00 1.90 1.52 0.00 2.21 0.00 0.00 2.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 72 V 8.63 4.39 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 0.70 0.00 0.00 0.95 0.00 0.00 73 R 8.59 4.81 0.00 1.74 1.80 0.00 3.21 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 74 S 9.01 4.74 0.00 3.80 3.73 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 75 K 8.43 4.14 0.00 1.72 1.86 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 76 K 7.90 4.08 0.00 1.54 1.82 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 77 H 7.05 4.55 0.00 3.43 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.76 5.16 0.00 2.05 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 2.21 2.43 0.00 79 I 8.86 5.06 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.58 1.00 0.00 0.00 80 M 9.04 5.21 0.00 2.14 2.55 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 81 V 8.69 4.69 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 0.93 0.00 0.00 0.99 0.00 0.00 82 A 8.94 5.10 1.21 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 0.00 0.00 83 P 0.00 5.02 0.00 2.12 2.11 0.00 4.02 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 84 D 8.94 4.82 0.00 2.68 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 85 K 9.33 4.53 0.00 1.75 2.19 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.30 7.81 86 D 7.76 4.69 0.00 1.97 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 87 F 8.04 5.83 0.00 2.98 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 88 I 8.78 5.15 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.97 0.00 0.00 89 L 8.74 4.84 0.00 1.78 1.61 0.89 0.95 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 90 I 8.60 4.84 1.89 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 1.34 0.40 0.96 0.00 0.00 91 V 8.82 4.82 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 0.78 0.00 0.00 0.95 0.00 0.00 92 I 8.26 4.68 1.77 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.78 0.00 0.00 93 Q 9.27 4.94 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 94 N 9.57 5.11 0.00 2.63 2.77 0.00 0.00 6.96 7.90 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 95 P 0.00 4.45 0.00 2.05 2.05 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 96 T 8.06 4.49 4.24 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 1.22 0.00 0.00 *97 D 8.30 4.45 0.00 2.48 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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.