NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2700 8.4449 121.4741 56.1503 30.7212 173.9986 4 Q 4.5592 8.1137 120.3055 52.4912 32.0432 172.9576 5 P 4.4527 0.0000 0.0000 62.0847 32.9074 176.7199 6 I 3.8399 7.7689 120.6618 64.7107 37.3551 176.6333 7 F 4.9349 7.5452 118.9635 57.7098 42.5369 173.0653 8 T 4.8237 6.8699 119.4371 62.5287 72.7641 172.7172 9 T 4.5648 8.3918 118.5159 61.2674 71.8588 171.9268 10 R 5.1843 8.3985 120.3332 54.4851 33.5119 174.9178 11 A 4.4044 8.7225 123.7164 51.3770 23.5280 174.3624 12 H 4.6356 8.6468 116.5359 54.8269 30.5463 175.1101 13 V 4.4460 7.8187 122.4015 61.4841 34.0060 174.5129 14 F 5.4624 8.8437 124.5924 56.3427 44.1975 173.0084 15 Q 5.9974 8.7917 114.3741 57.0068 32.0708 173.0793 16 I 4.5393 7.4837 120.1001 59.4548 40.9413 174.5489 *23 N 4.1730 8.4954 120.0702 53.8139 39.3966 172.5530 24 W 4.1645 8.3338 125.5917 56.8211 26.6840 173.7271 25 V 4.8725 8.7350 122.6898 58.6177 34.0332 173.6274 26 P 4.7665 0.0000 0.0000 63.4783 31.3996 175.7017 27 A 4.8479 8.8261 122.4344 51.3985 20.6634 176.2806 28 S 4.8547 7.6035 109.0779 55.7309 65.7406 174.5345 29 K 4.1276 9.4492 123.2286 59.6387 32.3373 176.5933 30 Q 4.5183 7.2425 114.2038 55.4761 31.0764 173.4581 31 A 3.9282 8.4563 121.0774 52.4792 19.1392 177.9008 32 V 4.5035 8.6562 115.1492 59.2791 36.3480 175.1695 33 T 4.5158 8.3667 118.7023 63.7131 69.3843 174.5341 34 V 4.4782 8.7537 125.0060 61.3818 34.6867 174.4869 35 S 5.2045 9.1338 122.5887 57.0905 68.0502 172.1836 36 Y 5.0114 8.4050 118.8372 56.5888 39.8790 175.2630 37 F 5.2329 9.2762 121.9748 55.8265 43.8589 173.5163 38 Y 4.3174 8.7475 122.9552 56.3432 39.2892 175.6496 39 D 4.4897 8.8472 129.7989 52.3517 39.6598 176.5820 40 V 3.4596 7.8515 116.5962 64.3297 32.2793 178.1467 41 T 3.9342 7.9274 108.0563 64.8397 68.6057 175.4559 42 R 4.0666 7.9690 118.3553 55.1736 30.8921 175.9835 43 N 3.7851 7.5129 115.2727 52.5772 36.0062 171.8352 44 S 4.5275 6.1557 112.8672 58.3265 67.0037 175.2685 45 Y 5.1093 8.3953 116.8531 56.4870 40.1351 175.2160 46 R 5.0767 9.4514 123.4350 54.6317 34.0701 173.8443 47 I 4.4558 8.7508 127.3963 60.4614 38.7013 174.7809 48 I 5.1245 9.0004 128.2899 59.5692 40.8477 174.7374 49 S 5.0431 9.3182 120.7624 56.9464 65.8205 173.0743 50 V 4.8781 8.4456 118.9250 59.8260 35.8372 175.3678 51 D 4.3748 9.0983 122.6226 53.9442 43.5854 176.1894 52 G 3.8941 8.2889 119.4586 47.0560 0.0000 172.8518 53 A 4.5233 8.8329 126.8600 51.3476 18.9713 177.2235 54 K 4.6506 7.9156 116.6510 54.8270 35.4200 175.7700 55 V 4.5281 8.2328 120.6774 60.1081 32.2730 175.3899 56 I 4.2525 8.3239 118.8713 61.9477 39.0369 176.1040 57 I 4.3132 7.9005 123.6216 59.1160 40.7348 175.3398 58 N 5.0821 8.4791 124.5610 52.6240 39.1300 172.3627 59 S 5.0154 9.0528 116.8313 56.5472 65.5722 173.0401 60 T 4.7446 8.6515 123.6571 62.9409 69.5362 174.5305 61 I 4.1801 8.3238 128.4798 60.4179 37.3441 175.4847 62 T 4.5930 8.2709 117.5633 59.0331 70.8033 174.0029 63 P 4.2219 0.0000 0.0000 65.9520 31.3788 177.0461 64 N 4.7439 8.1412 112.0026 53.3355 37.6765 174.5933 65 M 4.7064 8.1051 119.4470 54.7570 33.3919 175.6743 66 T 4.7435 8.4241 111.0105 59.7791 71.8844 172.6345 67 F 4.8250 8.4041 126.0491 56.8471 41.0019 174.6301 68 T 4.5264 8.3672 122.7809 61.5392 71.7038 173.3180 69 K 4.7659 8.6789 126.1377 55.8073 32.4245 176.7543 70 T 4.3697 8.7216 115.3586 61.7078 69.3276 174.1558 71 S 4.6038 7.4432 116.9693 57.8116 66.8533 174.5073 72 Q 4.2113 8.7574 119.2563 58.8251 28.5239 177.0825 73 K 4.8888 8.0983 116.5940 55.5882 34.5324 175.3043 74 F 5.2442 8.3566 122.2314 56.7079 42.7961 173.4846 75 G 4.6187 8.6531 112.2591 44.8407 0.0000 170.8497 76 Q 5.8436 8.4951 117.3967 55.6546 32.6095 173.1545 77 W 5.5887 8.6555 114.7534 55.6200 31.4483 172.8213 78 A 4.8563 8.9613 123.5914 50.5728 20.6167 175.8261 79 D 4.9838 8.7981 122.0239 52.7948 43.2236 177.0671 80 S 4.1708 9.0066 123.0998 61.8028 63.2237 177.0378 81 R 3.9085 8.2362 117.2801 58.5037 29.8342 177.0921 82 A 4.4534 7.4959 118.0970 50.9496 20.5312 175.5684 83 N 4.0751 7.8928 113.7158 53.6168 37.7763 172.6572 84 T 4.1920 7.5594 111.1459 61.4484 72.3259 172.4426 85 V 4.4299 7.4382 124.2672 61.0809 33.9691 174.2277 86 F 5.2977 8.4725 126.6992 55.7724 41.0457 174.9429 87 G 4.0079 9.1467 110.4592 44.1232 0.0000 171.7409 88 L 4.8880 8.3717 123.3083 52.4199 45.4019 175.7748 89 G 4.3436 8.8122 111.9400 44.6115 0.0000 173.1939 90 F 4.8912 9.1179 126.3057 56.4797 40.2901 176.1467 91 S 4.7631 8.7832 112.8681 58.0252 63.1365 174.2925 92 S 4.6666 7.5995 113.4790 56.4205 65.2100 176.0357 93 E 4.0863 8.8059 123.0165 59.2742 29.1811 179.2773 94 L 3.9080 7.9273 120.1013 58.3237 42.1022 178.7747 95 Q 4.0648 8.0103 117.8124 58.9690 28.6120 178.7917 96 L 2.5596 6.9882 120.5156 58.0013 42.0137 179.1160 97 T 3.8220 7.8828 115.6413 66.5692 68.3990 176.7219 98 K 3.7326 7.9862 120.2875 59.3737 32.0974 179.1663 99 F 3.7108 8.2627 120.7066 61.1627 39.3172 177.0664 100 A 3.8086 8.3144 120.6591 54.7512 18.0905 179.5625 101 E 3.7832 8.2103 117.8977 59.4891 29.5372 179.6553 102 K 3.4479 7.4917 118.5132 58.8468 31.8755 179.2322 103 F 3.6268 7.6549 120.9821 61.0771 39.2322 176.8836 104 Q 4.0013 7.9669 119.0933 59.2694 28.6778 177.8533 105 E 3.7628 7.8218 118.8369 59.3575 29.7391 178.7407 106 V 3.1547 7.6825 117.2311 65.3331 31.6123 177.8493 107 R 3.9961 7.6915 118.7304 59.1385 29.7786 178.2899 108 E 4.5234 8.1308 115.5355 56.1213 29.7862 176.0915 109 A 4.7185 8.0857 118.9396 50.7047 19.4870 178.1258 110 A 4.6224 7.9051 117.8051 54.4316 22.2148 177.5587 111 R 4.1474 7.9717 121.3683 56.7903 30.2026 176.4908 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 E 8.44 4.27 0.00 1.96 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 2.22 2.36 0.00 4 Q 8.11 4.56 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 5 P 0.00 4.45 0.00 1.77 1.22 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.12 0.00 6 I 7.77 3.84 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.02 0.86 0.00 0.00 7 F 7.55 4.93 0.00 2.82 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 0.00 8 T 6.87 4.82 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 1.10 0.00 0.00 9 T 8.39 4.56 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 1.59 0.00 0.00 10 R 8.40 5.18 0.00 1.68 1.74 0.00 3.28 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 11 A 8.72 4.40 0.53 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 0.00 0.00 12 H 8.65 4.64 0.00 3.20 2.85 0.00 5.79 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 13 V 7.82 4.45 1.90 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 1.02 0.00 0.00 0.76 0.00 0.00 14 F 8.84 5.46 0.00 2.88 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.79 6.00 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 16 I 7.48 4.54 1.36 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 -0.36 0.58 0.00 0.00 *23 N 8.50 4.17 0.00 2.59 2.48 0.00 0.00 6.96 7.68 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 24 W 8.33 4.16 0.00 3.41 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 25 V 8.74 4.87 2.18 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 0.94 0.00 0.00 1.02 0.00 0.00 26 P 0.00 4.77 0.00 2.10 2.27 0.00 3.86 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 27 A 8.83 4.85 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 28 S 7.60 4.85 0.00 3.86 3.67 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 29 K 9.45 4.13 0.00 1.69 1.91 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.37 7.81 30 Q 7.24 4.52 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 31 A 8.46 3.93 1.08 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 0.00 0.00 32 V 8.66 4.50 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 0.70 0.00 0.00 0.87 0.00 0.00 33 T 8.37 4.52 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 1.21 0.00 0.00 34 V 8.75 4.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.84 0.00 0.00 35 S 9.13 5.20 0.00 3.57 3.22 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 36 Y 8.41 5.01 0.00 2.86 2.85 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 37 F 9.28 5.23 0.00 2.95 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 38 Y 8.75 4.32 0.00 2.74 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 39 D 8.85 4.49 0.00 2.56 2.40 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 40 V 7.85 3.46 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 0.93 0.00 0.00 0.90 0.00 0.00 41 T 7.93 3.93 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 1.16 0.00 0.00 42 R 7.97 4.07 0.00 1.75 1.96 0.00 3.29 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 43 N 7.51 3.79 0.00 2.82 2.83 0.00 0.00 6.78 7.08 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 44 S 6.16 4.53 0.00 3.85 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 45 Y 8.40 5.11 0.00 2.96 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 46 R 9.45 5.08 0.00 1.80 1.77 0.00 3.09 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 1.54 1.66 0.00 47 I 8.75 4.46 1.80 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.13 0.89 0.00 0.00 48 I 9.00 5.12 2.18 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 1.16 1.00 0.94 0.00 0.00 49 S 9.32 5.04 0.00 3.80 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.45 4.88 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 0.75 0.00 0.00 0.93 0.00 0.00 51 D 9.10 4.37 0.00 2.63 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 52 G 8.29 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 0.00 0.00 0.00 53 A 8.83 4.52 1.27 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 0.00 0.00 0.00 54 K 7.92 4.65 0.00 1.82 1.68 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.33 7.81 55 V 8.23 4.53 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 0.79 0.00 0.00 1.01 0.00 0.00 56 I 8.32 4.25 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 0.95 0.00 0.00 57 I 7.90 4.31 1.76 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 0.39 0.63 0.65 0.00 0.00 58 N 8.48 5.08 0.00 2.72 2.73 0.00 0.00 6.94 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 59 S 9.05 5.02 0.00 4.23 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 60 T 8.65 4.74 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 1.25 0.00 0.00 61 I 8.32 4.18 1.69 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.28 0.23 0.00 0.00 62 T 8.27 4.59 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 1.27 0.00 0.00 63 P 0.00 4.22 0.00 2.09 2.21 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 64 N 8.14 4.74 0.00 2.89 2.97 0.00 0.00 6.00 7.66 0.00 0.00 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 M 8.11 4.71 0.00 2.43 2.43 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.71 0.00 66 T 8.42 4.74 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 1.30 0.00 0.00 67 F 8.40 4.82 0.00 1.51 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 68 T 8.37 4.53 4.18 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 1.20 0.00 0.00 69 K 8.68 4.77 0.00 1.66 1.99 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.67 7.81 70 T 8.72 4.37 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 1.31 0.00 0.00 71 S 7.44 4.60 0.00 4.04 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 72 Q 8.76 4.21 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.46 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 73 K 8.10 4.89 0.00 1.80 2.09 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.47 7.81 74 F 8.36 5.24 0.00 2.99 2.73 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 G 8.65 4.62 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 76 Q 8.50 5.84 0.00 2.43 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.60 0.00 0.00 0.00 0.00 0.00 2.49 2.25 0.00 77 W 8.66 5.59 0.00 3.76 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.96 4.86 1.31 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 0.00 0.00 79 D 8.80 4.98 0.00 3.24 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 0.00 80 S 9.01 4.17 0.00 3.99 3.93 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 81 R 8.24 3.91 0.00 1.90 2.08 0.00 3.22 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 82 A 7.50 4.45 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 83 N 7.89 4.08 0.00 2.80 2.80 0.00 0.00 6.90 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 84 T 7.56 4.19 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 0.45 0.00 0.00 85 V 7.44 4.43 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.76 0.00 0.00 86 F 8.47 5.30 0.00 1.51 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 0.00 0.00 0.00 87 G 9.15 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 0.00 0.00 0.00 88 L 8.37 4.89 0.00 1.27 0.69 0.58 0.53 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 89 G 8.81 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.12 4.89 0.00 2.99 3.27 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 0.00 91 S 8.78 4.76 0.00 4.07 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 92 S 7.60 4.67 0.00 4.01 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 93 E 8.81 4.09 0.00 2.04 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 0.00 2.54 2.40 0.00 94 L 7.93 3.91 0.00 1.76 1.69 0.92 0.82 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 95 Q 8.01 4.06 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 96 L 6.99 2.56 0.00 1.12 1.63 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.88 3.82 4.32 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 1.23 0.00 0.00 98 K 7.99 3.73 0.00 2.02 1.66 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.67 7.81 99 F 8.26 3.71 0.00 3.39 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 0.00 100 A 8.31 3.81 1.49 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 0.00 0.00 101 E 8.21 3.78 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 102 K 7.49 3.45 0.00 0.83 0.74 0.00 0.89 0.00 0.00 1.00 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.71 0.57 7.81 103 F 7.65 3.63 0.00 2.77 2.87 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 0.00 0.00 0.00 0.00 104 Q 7.97 4.00 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 105 E 7.82 3.76 0.00 1.81 1.88 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 2.05 2.14 0.00 106 V 7.68 3.15 1.75 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 0.42 0.00 0.00 0.32 0.00 0.00 107 R 7.69 4.00 0.00 2.06 2.10 0.00 3.59 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 108 E 8.13 4.52 0.00 2.03 1.86 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 2.29 2.31 0.00 109 A 8.09 4.72 1.17 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 0.00 0.00 0.00 0.00 0.00 110 A 7.91 4.62 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 0.00 111 R 7.97 4.15 0.00 1.83 1.87 0.00 3.25 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 1.65 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.