NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9342 8.3393 109.7376 45.4039 0.0000 172.8082 0 S 4.5208 8.2864 115.6962 56.8378 65.1866 171.3033 1 M 5.1212 9.3758 123.4929 53.6994 35.4227 176.1141 2 K 4.9495 9.0265 120.5180 54.5823 37.1675 175.0717 3 K 4.7593 9.1765 125.4129 55.2931 33.9429 175.2376 4 V 4.6601 9.0489 128.4412 61.5822 33.2822 174.0341 5 E 5.1700 9.3637 128.3753 54.5072 32.0936 174.9139 6 A 4.9424 9.1146 126.3835 50.0520 22.3470 174.7916 7 I 4.8552 8.5053 124.0911 59.7232 39.1117 174.9499 8 I 5.1663 8.5767 120.4435 58.4396 41.8104 175.0323 9 R 4.2471 8.3575 120.9879 55.4703 30.7809 176.3648 10 P 4.2170 0.0000 0.0000 65.6464 31.4713 177.9556 11 E 4.2057 8.1187 113.5355 57.6966 29.9493 177.7363 12 K 4.3630 8.0980 119.3213 56.3577 32.4786 177.7560 13 L 3.9161 7.6551 121.9252 58.2069 42.0321 178.4222 14 E 3.8974 8.0856 118.5707 59.2621 29.5918 178.4362 15 I 3.6545 7.6446 118.1526 64.0385 38.1069 177.8136 16 V 3.5794 7.8308 119.3590 65.9042 31.3842 178.1328 17 K 3.9946 8.3745 118.9384 59.7130 32.2776 179.1487 18 K 3.8968 8.1785 120.6088 59.2441 32.1341 178.5658 19 A 4.0184 8.2005 121.2749 55.3089 18.2038 179.6078 20 L 4.0971 8.3166 117.7523 57.9948 41.7060 179.7154 21 S 4.1950 8.2839 113.0870 61.6336 62.1555 175.9832 22 D 4.3823 8.3984 120.4896 56.8207 40.5917 177.6583 23 A 4.3690 7.6229 118.5519 51.9481 19.0008 177.9370 24 G 3.5988 8.0418 106.4038 45.2797 0.0000 174.1053 25 Y 4.5526 7.5447 118.4680 56.5495 36.9080 175.1887 26 V 4.0186 8.1562 124.2446 62.0623 32.9779 176.9091 27 G 3.8896 8.0434 109.7205 44.9779 0.0000 172.3570 28 M 5.0770 8.2436 122.0321 53.7874 34.7230 174.2747 29 T 4.7094 8.9246 116.9235 61.8044 71.7651 173.3447 30 V 5.0393 8.4265 125.0431 61.1192 34.2525 174.5896 31 S 4.8339 9.1367 121.4467 56.5678 66.9406 172.5295 32 E 4.6784 8.7162 120.7725 55.8645 30.4975 175.9415 33 V 4.6508 8.7644 116.9814 59.6674 36.7599 174.1246 34 K 5.1098 8.6853 119.5537 54.9594 35.0102 176.2716 35 G 4.4010 9.2364 110.7181 43.6234 0.0000 171.7566 36 R 4.1276 8.8472 116.3288 57.2002 29.4318 177.2691 37 G 4.1027 8.7375 112.4039 45.4131 0.0000 172.7341 38 V 4.5229 8.4528 120.8398 60.4351 34.0738 175.1728 39 Q 4.3054 8.2722 118.8287 53.2391 29.4882 176.4915 *53 V 3.8304 8.1458 122.1767 61.8550 31.3899 173.3554 54 D 5.1092 8.0261 125.7297 50.8943 43.4495 174.4563 55 L 4.8109 8.3985 118.8947 54.3063 42.4233 176.7168 56 I 4.7266 9.0911 117.2524 57.9045 41.5840 172.9763 57 P 4.8441 0.0000 0.0000 63.1138 31.7495 175.9643 58 K 4.8769 9.4099 122.9597 54.7186 37.4581 175.1304 59 V 4.7640 8.6135 120.6602 59.9188 34.0475 174.4762 60 K 4.8780 9.0150 126.5004 55.0523 33.9897 174.7525 61 I 4.9144 8.7805 128.8311 59.6244 39.8014 174.4062 62 E 5.1776 9.3150 126.1984 54.5152 32.8639 174.9501 63 L 4.9606 8.9212 123.8738 52.8994 45.6628 175.4966 64 V 4.6852 8.4896 123.7044 61.6881 32.7690 175.1127 65 V 4.7098 8.7937 120.3346 58.9919 36.6505 175.2547 66 K 4.2990 8.6012 120.8878 56.4238 32.7662 177.9289 67 E 3.9076 9.0748 123.7883 59.6635 29.2057 179.3424 68 E 4.1115 8.1688 115.7119 58.6675 30.0208 177.6582 69 D 4.7260 8.1737 118.9340 54.6692 41.2138 178.4166 70 V 3.4869 7.5159 119.7980 66.1078 31.5899 177.4396 71 D 4.3220 8.0626 118.0913 57.3499 40.6774 178.2273 72 N 4.2989 8.0690 116.9347 56.6218 39.0739 176.7804 73 V 3.3341 7.7186 119.6493 66.0870 31.4791 177.9552 74 I 3.6308 7.8514 119.5502 64.4139 36.8692 178.0720 75 D 4.3337 8.1192 119.5466 57.4754 40.7110 178.8822 76 I 3.6964 7.8077 120.0708 64.5281 37.0724 178.5950 77 I 3.6623 7.8364 120.4412 64.5362 37.0015 178.2531 78 C 4.0516 8.2133 117.6874 62.7879 27.7600 175.6927 79 E 3.9040 8.0760 119.5030 59.3806 29.3326 178.1010 80 N 4.5988 8.0148 113.5665 54.3458 39.1227 176.3843 81 A 4.4179 8.0028 121.0378 51.8115 19.9888 177.6279 82 R 4.3268 7.1550 113.6297 56.1946 30.2843 176.6003 83 T 4.4111 9.1477 108.1225 60.7295 70.2692 175.2280 84 G 3.9431 8.8047 109.7089 45.1139 0.0000 172.7457 85 N 4.9356 7.8014 117.2194 50.4317 40.6169 172.7642 86 P 4.2838 0.0000 0.0000 64.7433 31.7949 176.7030 87 G 4.0869 8.9005 110.0113 45.5498 0.0000 174.2763 88 D 4.2906 7.3556 121.4209 55.6460 41.0392 175.3071 89 G 4.2276 8.3134 102.0368 44.7177 0.0000 172.3053 90 K 4.6024 8.1315 115.4723 54.7212 36.8379 175.5581 91 I 4.6393 7.9442 122.2041 59.4412 40.1949 174.9464 92 F 5.2327 9.0554 124.7702 55.6810 42.4737 174.2130 93 V 4.8885 8.5985 122.1896 61.2525 33.4859 174.6289 94 I 4.7663 8.7828 128.9361 58.4814 40.4830 173.3242 95 P 4.6300 0.0000 0.0000 62.8661 32.1480 175.6981 96 V 4.3465 8.0822 122.3490 61.4489 32.6692 175.2566 97 E 4.2767 9.0257 127.5596 58.0352 30.1341 176.6894 98 R 4.5943 7.4890 116.5632 54.8637 33.1978 173.6397 99 V 4.5160 8.3002 123.5175 61.0720 34.7575 174.0947 100 V 4.8911 8.2915 126.5179 61.0417 34.6162 174.4008 101 R 4.1680 8.9542 129.0232 55.6140 30.4828 177.1721 102 V 3.5672 8.6881 126.8405 66.1246 31.9671 177.1197 103 R 4.0332 8.1851 118.6720 59.2322 30.0207 177.0665 104 T 4.2621 7.7800 104.5937 60.7886 69.9475 175.0140 105 K 3.9613 8.3063 119.8760 57.0908 30.3061 175.5625 106 E 4.1373 8.0172 118.7599 56.6676 29.8961 176.1165 107 E 5.1786 8.2021 120.5027 55.4023 34.2568 178.0721 108 G 3.7620 8.2987 108.3007 46.4734 0.0000 176.1154 109 K 3.8516 8.9327 119.2169 59.9252 31.8005 178.1655 110 E 4.0039 8.2178 116.1136 59.6320 29.5025 179.0146 111 A 4.1371 7.9172 118.7998 55.0457 18.5422 179.1611 112 L 4.1617 7.5461 116.3354 57.5684 42.0535 177.5783 113 L 4.3431 7.5396 119.2105 55.5576 42.9983 177.4986 114 E 4.3735 8.3521 114.6100 57.0925 30.3948 171.0992 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 G 8.34 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 0.00 0.00 0.00 0 S 8.29 4.52 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.38 5.12 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 2 K 9.03 4.95 0.00 1.58 1.63 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 K 9.18 4.76 0.00 1.79 1.69 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.40 1.38 7.81 4 V 9.05 4.66 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 0.91 0.00 0.00 0.86 0.00 0.00 5 E 9.36 5.17 0.00 2.02 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 2.27 2.31 0.00 6 A 9.11 4.94 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.51 4.86 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.96 0.90 0.00 0.00 8 I 8.58 5.17 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.86 0.00 0.00 9 R 8.36 4.25 0.00 1.88 2.20 0.00 3.13 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 P 0.00 4.22 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 11 E 8.12 4.21 0.00 2.07 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 2.27 2.27 0.00 12 K 8.10 4.36 0.00 1.91 1.85 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.38 1.73 7.81 13 L 7.66 3.92 0.00 1.83 1.74 0.92 0.60 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 14 E 8.09 3.90 0.00 2.07 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 2.38 2.37 0.00 15 I 7.64 3.65 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 1.52 1.30 1.02 0.00 0.00 16 V 7.83 3.58 2.13 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 1.07 0.00 0.00 0.99 0.00 0.00 17 K 8.37 3.99 0.00 2.02 2.14 0.00 1.37 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.45 7.81 18 K 8.18 3.90 0.00 2.06 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.60 7.81 19 A 8.20 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 20 L 8.32 4.10 0.00 1.89 2.01 0.91 0.70 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 21 S 8.28 4.19 0.00 4.02 3.99 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 0.00 0.00 0.00 22 D 8.40 4.38 0.00 2.82 2.72 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 0.00 0.00 0.00 0.00 23 A 7.62 4.37 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 24 G 8.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 4.55 0.00 3.05 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 26 V 8.16 4.02 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 0.73 0.00 0.00 0.94 0.00 0.00 27 G 8.04 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 28 M 8.24 5.08 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 29 T 8.92 4.71 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 1.22 0.00 0.00 30 V 8.43 5.04 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 9.14 4.83 0.00 3.87 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 32 E 8.72 4.68 0.00 1.88 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 2.27 2.33 0.00 33 V 8.76 4.65 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 0.75 0.00 0.00 0.97 0.00 0.00 34 K 8.69 5.11 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.40 7.81 35 G 9.24 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 0.00 0.00 0.00 0.00 36 R 8.85 4.13 0.00 1.83 2.01 0.00 3.22 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 37 G 8.74 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.45 4.52 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 0.75 0.00 0.00 0.98 0.00 0.00 39 Q 8.27 4.31 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 *53 V 8.15 3.83 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 1.01 0.00 0.00 0.93 0.00 0.00 54 D 8.03 5.11 0.00 2.75 2.74 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 55 L 8.40 4.81 0.00 1.56 1.65 0.93 0.73 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 56 I 9.09 4.73 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 1.38 1.19 0.91 0.00 0.00 57 P 0.00 4.84 0.00 1.96 2.04 0.00 3.62 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 2.03 2.12 0.00 58 K 9.41 4.88 0.00 1.58 1.76 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.51 7.81 59 V 8.61 4.76 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 0.88 0.00 0.00 0.98 0.00 0.00 60 K 9.02 4.88 0.00 1.85 1.72 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 61 I 8.78 4.91 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.90 0.00 0.00 62 E 9.32 5.18 0.00 1.85 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 2.22 2.25 0.00 63 L 8.92 4.96 0.00 1.52 1.47 0.87 0.67 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 64 V 8.49 4.69 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 0.80 0.00 0.00 0.94 0.00 0.00 65 V 8.79 4.71 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 0.61 0.00 0.00 0.91 0.00 0.00 66 K 8.60 4.30 0.00 2.02 1.76 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.47 7.81 67 E 9.07 3.91 0.00 2.22 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 2.32 2.34 0.00 68 E 8.17 4.11 0.00 2.18 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 0.00 2.31 2.43 0.00 69 D 8.17 4.73 0.00 2.89 2.89 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 70 V 7.52 3.49 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 1.09 0.00 0.00 0.94 0.00 0.00 71 D 8.06 4.32 0.00 2.76 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 72 N 8.07 4.30 0.00 2.90 3.06 0.00 0.00 6.81 7.71 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 73 V 7.72 3.33 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 0.77 0.00 0.00 0.13 0.00 0.00 74 I 7.85 3.63 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.56 0.88 0.00 0.00 75 D 8.12 4.33 0.00 2.90 2.72 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 0.00 0.00 0.00 0.00 76 I 7.81 3.70 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 0.94 0.00 0.00 77 I 7.84 3.66 1.81 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 1.48 0.71 0.86 0.00 0.00 78 C 8.21 4.05 0.00 3.08 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 79 E 8.08 3.90 0.00 1.94 2.27 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 2.33 2.40 0.00 80 N 8.01 4.60 0.00 2.85 2.85 0.00 0.00 6.99 7.37 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 81 A 8.00 4.42 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 82 R 7.15 4.33 0.00 2.05 2.03 0.00 3.09 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 1.85 1.55 0.00 83 T 9.15 4.41 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 1.20 0.00 0.00 84 G 8.80 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 0.00 0.00 0.00 85 N 7.80 4.94 0.00 2.80 2.72 0.00 0.00 6.90 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 86 P 0.00 4.28 0.00 2.03 2.00 0.00 3.63 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 2.03 2.10 0.00 87 G 8.90 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 0.00 0.00 0.00 88 D 7.36 4.29 0.00 2.81 2.72 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 0.00 0.00 0.00 0.00 89 G 8.31 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 90 K 8.13 4.60 0.00 1.25 1.21 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.42 7.81 91 I 7.94 4.64 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.46 0.82 0.00 0.00 92 F 9.06 5.23 0.00 2.91 2.78 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 0.00 0.00 0.00 93 V 8.60 4.89 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 0.82 0.00 0.00 0.94 0.00 0.00 94 I 8.78 4.77 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.55 0.91 0.00 0.00 95 P 0.00 4.63 0.00 2.07 2.05 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.08 4.35 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 0.83 0.00 0.00 0.94 0.00 0.00 97 E 9.03 4.28 0.00 2.00 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 2.29 2.29 0.00 98 R 7.49 4.59 0.00 1.72 1.74 0.00 3.18 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 99 V 8.30 4.52 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 0.94 0.00 0.00 0.94 0.00 0.00 100 V 8.29 4.89 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 0.90 0.00 0.00 0.93 0.00 0.00 101 R 8.95 4.17 0.00 1.93 1.79 0.00 3.24 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 102 V 8.69 3.57 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 0.82 0.00 0.00 0.93 0.00 0.00 103 R 8.19 4.03 0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.78 4.26 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 1.26 0.00 0.00 105 K 8.31 3.96 0.00 1.93 1.95 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 106 E 8.02 4.14 0.00 2.05 1.87 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 2.50 2.29 0.00 107 E 8.20 5.18 0.00 1.91 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 2.19 2.41 0.00 108 G 8.30 3.76 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 0.00 0.00 0.00 109 K 8.93 3.85 0.00 1.81 1.92 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.58 7.81 110 E 8.22 4.00 0.00 2.10 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 2.32 2.39 0.00 111 A 7.92 4.14 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 0.00 112 L 7.55 4.16 0.00 1.86 1.76 0.95 1.09 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 0.00 113 L 7.54 4.34 0.00 1.68 1.65 0.94 0.79 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 0.00 114 E 8.35 4.37 0.00 1.93 1.63 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 0.00 2.11 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.