NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.4906 8.2233 120.2150 54.1461 42.2594 175.2166 *7 K 4.2346 8.4531 116.2771 55.8826 34.0815 176.1157 8 A 4.1177 7.9574 123.6382 50.8685 19.0228 175.3573 9 P 4.5362 0.0000 0.0000 62.5594 32.1221 177.4083 10 I 3.5008 8.8126 123.8958 63.6950 38.0328 177.9244 11 K 3.9571 7.7576 118.9297 59.5981 32.3873 178.4422 12 V 3.5275 7.7693 119.0066 64.9868 31.5757 175.6591 13 Y 4.9014 7.3107 117.3535 57.4750 38.6379 175.6276 *15 T 4.1114 7.6384 112.9919 62.1848 68.4894 173.7142 16 K 4.3841 8.5374 125.9229 56.6789 33.1845 177.4183 17 K 4.2734 7.7711 122.5283 55.3105 30.4418 175.6930 18 L 4.6984 7.5057 120.8608 53.0246 44.8314 174.9607 19 L 4.7549 8.3425 125.0981 52.8823 44.9214 175.5057 20 G 4.4748 8.4796 107.6589 44.7661 0.0000 171.8285 21 V 4.8459 8.6920 113.4149 59.1259 36.5609 174.8409 22 K 4.7880 8.2891 120.7279 55.2265 33.8485 176.0739 23 P 4.2398 0.0000 0.0000 66.0230 31.3895 178.7380 24 S 4.2622 7.9550 110.5152 60.2658 63.6378 174.6658 25 T 3.9249 7.8617 119.2623 64.1005 68.9788 173.5224 26 S 4.8110 8.4402 120.1521 57.8061 65.5726 175.3444 27 V 3.4597 8.5987 124.1808 66.4808 31.1779 178.4794 28 Q 3.9346 8.2575 118.9485 59.0608 28.9387 177.7079 29 E 3.9034 8.7209 120.4579 59.2879 29.5137 178.2799 30 A 4.0832 8.2932 119.6540 55.7260 18.4831 179.4710 31 S 4.2680 7.9397 112.0179 61.8037 62.9542 176.6886 32 R 4.1402 7.9057 120.5216 58.5201 31.3082 178.1621 33 L 4.4266 8.3229 120.4164 54.8717 37.5894 176.6761 *36 E 4.0752 7.9248 121.6057 55.8230 31.5839 176.4727 37 F 4.2554 8.4332 114.3108 56.9107 39.6900 174.6860 38 D 4.4150 8.0923 118.7557 55.7700 39.0487 173.2738 39 V 4.5767 7.6376 109.7371 59.5253 35.4502 176.7269 40 G 3.8305 8.5736 110.9456 47.2574 0.0000 173.0564 41 S 4.6657 7.5251 112.3985 57.1761 66.6249 172.6969 42 L 4.7290 7.5693 118.2245 53.3372 46.4090 175.8319 43 V 4.8019 8.2552 113.0817 59.6672 35.2957 175.0605 44 V 4.6712 8.6908 124.1656 61.9250 33.1507 174.6539 45 I 5.0645 8.7490 128.8203 59.4874 39.8770 175.6668 46 N 4.7512 8.8518 124.4880 51.6350 38.8202 175.5885 47 D 4.3548 8.6492 117.4008 57.7651 40.7688 178.1135 48 D 4.3698 8.0583 116.8114 55.6038 40.9420 177.1954 49 G 3.9145 8.5246 107.6670 45.4510 0.0000 172.8880 50 N 4.8904 8.2212 116.9042 51.0055 40.3821 174.7646 51 V 4.2969 8.1556 121.2965 63.2566 32.1434 176.0625 52 V 4.4825 8.4409 118.1830 60.8422 33.6939 175.0149 53 G 4.7417 7.9115 106.4850 47.0099 0.0000 171.9710 54 F 5.4718 8.7160 120.9168 57.0165 42.4812 173.1360 55 F 5.0284 7.4375 119.8792 55.7104 41.6618 173.7569 56 T 4.4984 8.7672 111.3541 59.3845 71.4300 175.4744 57 K 3.9301 8.4698 121.0344 59.6947 31.8705 179.4737 58 S 4.1026 8.0591 112.7340 61.6999 62.3538 175.8515 59 D 4.4200 8.0830 121.4053 57.3637 40.4901 178.8132 60 I 3.6791 7.7752 120.3113 64.3802 37.1889 178.5213 61 I 3.6738 7.5841 120.0751 64.5299 36.7980 178.6219 62 R 4.0004 7.9625 117.8606 58.3815 29.9736 177.5635 63 R 4.5677 7.9134 114.6831 55.6129 31.5809 175.6052 64 V 4.1974 7.7297 116.8729 64.6144 33.4157 177.4048 65 I 3.7279 7.8664 118.3845 64.6609 37.1142 178.1849 66 V 3.7848 7.6313 112.5179 63.3916 31.4910 175.9341 67 P 4.3834 0.0000 0.0000 63.3371 31.8186 176.8929 68 G 3.9920 8.2466 106.7350 44.8591 0.0000 173.7751 69 L 3.9243 7.6656 118.6643 54.1051 42.4164 175.2576 70 P 4.1431 0.0000 0.0000 62.6533 32.0976 176.5159 71 Y 4.4927 7.7772 117.9524 58.1910 38.5425 176.0895 72 D 5.0094 7.4942 118.7890 53.3478 40.4760 176.4089 73 I 4.1129 7.5425 113.8001 59.9266 39.8879 173.1824 74 P 4.8099 0.0000 0.0000 62.0881 31.8119 178.3004 75 V 3.4159 8.5474 117.4521 63.9706 31.6692 178.1456 76 E 3.9827 7.5884 119.2037 58.6283 29.5074 177.6053 77 R 4.1310 8.3263 118.1879 57.2662 30.9061 176.3029 78 I 4.2936 6.9836 111.1134 59.5378 37.0002 175.1946 *80 T 4.1875 7.3494 118.7157 64.4101 69.9780 175.2969 81 R 4.5392 8.6229 123.0702 56.4293 31.8416 176.7393 82 N 4.6425 7.8216 116.0562 51.5190 37.1255 172.5085 83 L 4.0387 7.9549 119.8491 54.3592 42.1004 176.8095 84 I 4.1370 8.1570 125.7815 60.3315 37.8959 175.1591 85 T 4.9755 8.1827 114.1081 59.8770 72.3660 172.4178 86 A 4.8070 8.5481 122.1296 50.0973 23.0906 174.9014 87 N 5.3536 8.7916 117.9999 51.7911 40.5086 176.6300 88 V 3.7485 8.2907 116.9856 64.3707 31.8013 177.6854 89 N 4.6451 9.2003 115.3908 53.0910 38.8671 175.1486 90 T 4.0162 8.1984 118.4110 62.3731 69.1450 172.4658 91 P 4.7436 0.0000 0.0000 62.4097 33.2794 176.7934 92 L 3.8139 8.6268 122.7796 58.5913 41.9935 179.7488 93 G 3.6930 8.1083 104.7387 48.0430 0.0000 175.0220 94 E 3.9537 8.0844 121.5729 58.6461 29.4784 178.8288 95 V 3.5381 7.4657 117.4096 66.1301 31.7278 177.6091 96 L 4.1781 7.9008 117.4549 57.7627 41.7046 179.4153 97 R 4.0722 7.9468 118.3924 59.2270 30.0036 179.3587 98 K 3.9375 8.1063 117.0840 57.2642 32.4064 177.8562 *100 A 4.2448 7.9434 121.9059 51.7329 20.4660 179.4111 101 E 3.8803 8.7965 115.6162 59.6988 29.6154 177.4866 102 H 4.4384 8.4794 112.5311 55.2706 29.6173 175.1359 103 R 3.8404 7.5203 118.1172 57.4606 27.7107 175.5400 104 I 4.7464 7.3373 108.5604 59.2740 40.7292 175.8788 105 K 4.5614 8.6130 119.3667 56.3969 32.6140 175.1964 106 H 5.2098 7.8730 115.5227 54.5570 33.0144 172.7382 107 I 4.4648 8.8507 122.9768 58.9337 41.1267 174.5316 108 L 4.3041 8.3479 129.2593 54.9174 43.1126 175.8463 109 I 4.9474 8.6680 122.9958 59.6159 39.8971 174.3947 110 E 5.1858 9.1535 126.3697 54.3728 33.7572 174.1508 111 E 4.5140 8.7548 124.2923 54.6828 32.7995 175.1722 112 E 3.8693 10.1414 126.7577 57.3977 27.1478 175.8721 113 G 3.9448 8.6507 106.2731 45.1146 0.0000 174.1694 114 K 4.5115 7.8734 120.2417 53.9962 33.9527 175.7962 115 I 4.1432 8.3879 124.9195 61.9728 37.1987 176.1279 116 V 4.3539 9.0641 117.2332 59.9065 33.1121 175.6744 117 G 4.0318 7.1022 105.6570 47.0488 0.0000 171.1998 118 I 5.1219 7.9563 118.1871 59.6701 41.7599 174.6730 119 F 5.1298 9.2583 128.5347 56.6943 42.4407 173.9142 120 T 4.9411 8.0668 115.4193 59.2180 72.0492 174.9995 121 L 3.8856 7.9268 119.5673 57.3408 41.5032 179.9835 122 S 4.0877 7.6546 115.3139 61.5177 62.6587 176.2477 123 D 4.3386 7.5437 121.1627 56.8506 40.4584 178.3505 124 L 3.9767 7.2281 120.9893 57.9003 41.8578 178.6851 125 L 3.8894 7.5382 119.0691 58.3016 42.4614 178.4991 126 E 4.0899 8.0428 117.8007 59.4245 29.4037 179.2390 127 A 4.0196 8.2369 120.9063 55.2456 18.1022 179.8093 128 S 4.0518 8.0330 113.1853 61.5135 62.9701 176.4411 129 R 4.2321 7.5444 118.1117 56.2298 30.5708 177.3080 130 R 4.0867 7.1235 118.1431 56.5727 30.5501 176.8787 131 R 4.3187 8.5617 120.0505 56.8723 31.1020 176.5702 132 L 4.7698 7.7164 116.3027 52.9210 44.0141 175.4305 133 E 4.6227 8.4409 120.0700 55.1861 31.5776 175.9723 134 T 4.3284 8.1169 117.3904 61.5136 69.5293 174.7123 135 A 4.1491 8.7607 128.5881 52.7316 18.2374 176.8909 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 5 D 8.22 4.49 0.00 2.95 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 *7 K 8.45 4.23 0.00 1.99 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 8 A 7.96 4.12 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 9 P 0.00 4.54 0.00 2.09 1.94 0.00 3.51 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 10 I 8.81 3.50 1.80 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.00 0.91 0.00 0.00 11 K 7.76 3.96 0.00 1.88 2.02 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.31 7.81 12 V 7.77 3.53 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 -0.05 0.00 0.00 0.74 0.00 0.00 13 Y 7.31 4.90 0.00 3.02 3.01 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 *15 T 7.64 4.11 4.39 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 1.36 0.00 0.00 16 K 8.54 4.38 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 K 7.77 4.27 0.00 1.76 1.77 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.56 7.81 18 L 7.51 4.70 0.00 1.60 1.51 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.34 4.75 0.00 1.42 1.26 0.21 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.48 4.47 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 0.00 0.00 0.00 21 V 8.69 4.85 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 0.74 0.00 0.00 1.09 0.00 0.00 22 K 8.29 4.79 0.00 1.80 1.94 0.00 1.36 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.43 7.81 23 P 0.00 4.24 0.00 2.21 2.19 0.00 3.61 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 24 S 7.95 4.26 0.00 3.98 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 25 T 7.86 3.92 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 1.26 0.00 0.00 26 S 8.44 4.81 0.00 4.20 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 27 V 8.60 3.46 2.26 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 0.94 0.00 0.00 0.86 0.00 0.00 28 Q 8.26 3.93 0.00 2.50 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 29 E 8.72 3.90 0.00 2.10 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 2.34 2.42 0.00 30 A 8.29 4.08 1.51 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 0.00 0.00 31 S 7.94 4.27 0.00 4.06 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 32 R 7.91 4.14 0.00 1.82 2.13 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 33 L 8.32 4.43 0.00 2.00 1.76 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 *36 E 7.92 4.08 0.00 1.87 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 0.00 1.49 2.06 0.00 37 F 8.43 4.26 0.00 3.23 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 38 D 8.09 4.41 0.00 2.79 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 39 V 7.64 4.58 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 0.88 0.00 0.00 0.97 0.00 0.00 40 G 8.57 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.53 4.67 0.00 3.07 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 4.73 0.00 0.56 1.17 1.00 0.70 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 43 V 8.26 4.80 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 1.01 0.00 0.00 0.96 0.00 0.00 44 V 8.69 4.67 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 1.12 0.00 0.00 1.17 0.00 0.00 45 I 8.75 5.06 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.98 0.00 0.00 46 N 8.85 4.75 0.00 2.97 2.99 0.00 0.00 6.66 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 47 D 8.65 4.35 0.00 2.69 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 48 D 8.06 4.37 0.00 2.83 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 49 G 8.52 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 50 N 8.22 4.89 0.00 2.81 2.73 0.00 0.00 6.66 7.05 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 51 V 8.16 4.30 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 0.92 0.00 0.00 0.94 0.00 0.00 52 V 8.44 4.48 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 0.78 0.00 0.00 1.04 0.00 0.00 53 G 7.91 4.74 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 54 F 8.72 5.47 0.00 2.95 2.90 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 55 F 7.44 5.03 0.00 3.05 2.99 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 56 T 8.77 4.50 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 0.84 0.00 0.00 57 K 8.47 3.93 0.00 1.85 1.92 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.48 1.72 7.81 58 S 8.06 4.10 0.00 3.91 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 59 D 8.08 4.42 0.00 2.95 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 60 I 7.78 3.68 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.91 0.00 0.00 61 I 7.58 3.67 2.06 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 1.42 1.24 0.92 0.00 0.00 62 R 7.96 4.00 0.00 1.83 2.10 0.00 3.23 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 63 R 7.91 4.57 0.00 1.86 1.88 0.00 3.19 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 64 V 7.73 4.20 2.26 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 1.07 0.00 0.00 0.90 0.00 0.00 65 I 7.87 3.73 2.09 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 1.43 0.93 0.92 0.00 0.00 66 V 7.63 3.78 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 0.69 0.00 0.00 0.96 0.00 0.00 67 P 0.00 4.38 0.00 2.16 2.16 0.00 3.74 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 2.08 2.03 0.00 68 G 8.25 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 0.00 0.00 0.00 69 L 7.67 3.92 0.00 1.61 1.61 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.14 0.00 2.08 1.95 0.00 3.62 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 1.95 1.84 0.00 71 Y 7.78 4.49 0.00 3.07 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 72 D 7.49 5.01 0.00 2.65 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 73 I 7.54 4.11 1.82 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 1.29 1.05 0.93 0.00 0.00 74 P 0.00 4.81 0.00 2.17 2.08 0.00 3.57 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 2.08 2.08 0.00 75 V 8.55 3.42 1.44 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 0.40 0.00 0.00 1.06 0.00 0.00 76 E 7.59 3.98 0.00 2.05 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 2.26 0.00 77 R 8.33 4.13 0.00 1.73 1.98 0.00 3.23 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 78 I 6.98 4.29 1.76 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.46 0.81 0.00 0.00 *80 T 7.35 4.19 4.55 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 1.33 0.00 0.00 81 R 8.62 4.54 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 82 N 7.82 4.64 0.00 2.72 2.80 0.00 0.00 6.98 7.85 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 83 L 7.95 4.04 0.00 1.59 1.58 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.16 4.14 1.76 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.29 0.62 0.00 0.00 85 T 8.18 4.98 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 1.16 0.00 0.00 86 A 8.55 4.81 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.79 5.35 0.00 2.74 2.65 0.00 0.00 7.10 7.78 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 88 V 8.29 3.75 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 0.66 0.00 0.00 0.90 0.00 0.00 89 N 9.20 4.65 0.00 2.75 2.80 0.00 0.00 7.06 7.42 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 90 T 8.20 4.02 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 1.17 0.00 0.00 91 P 0.00 4.74 0.00 2.24 2.25 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 92 L 8.63 3.81 0.00 1.85 1.77 0.68 0.70 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 93 G 8.11 3.69 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 0.00 0.00 0.00 94 E 8.08 3.95 0.00 2.07 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 2.36 2.41 0.00 95 V 7.47 3.54 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 0.90 0.00 0.00 0.82 0.00 0.00 96 L 7.90 4.18 0.00 1.79 1.76 0.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.95 4.07 0.00 1.92 2.13 0.00 3.12 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 98 K 8.11 3.94 0.00 1.86 1.95 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 *100 A 7.94 4.24 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 0.00 101 E 8.80 3.88 0.00 1.95 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 0.00 2.19 2.25 0.00 102 H 8.48 4.44 0.00 3.26 3.36 0.00 6.05 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.52 3.84 0.00 1.92 1.98 0.00 3.11 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 104 I 7.34 4.75 2.08 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 1.48 0.72 1.04 0.00 0.00 105 K 8.61 4.56 0.00 1.88 1.78 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 106 H 7.87 5.21 0.00 3.13 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.85 4.46 1.92 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 1.20 1.57 1.15 0.00 0.00 108 L 8.35 4.30 0.00 1.42 1.42 0.59 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.67 4.95 1.87 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 1.15 1.17 0.94 0.00 0.00 110 E 9.15 5.19 0.00 1.92 1.70 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 2.23 2.33 0.00 111 E 8.75 4.51 0.00 2.00 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 0.00 2.18 2.25 0.00 112 E 10.14 3.87 0.00 2.13 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 2.21 2.27 0.00 113 G 8.65 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 0.00 114 K 7.87 4.51 0.00 1.83 1.70 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.51 7.81 115 I 8.39 4.14 1.86 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 1.40 0.72 0.88 0.00 0.00 116 V 9.06 4.35 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 0.77 0.00 0.00 0.97 0.00 0.00 117 G 7.10 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 0.00 0.00 0.00 118 I 7.96 5.12 1.89 0.00 0.00 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 1.14 0.86 0.96 0.00 0.00 119 F 9.26 5.13 0.00 3.15 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 0.00 120 T 8.07 4.94 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 1.16 0.00 0.00 121 L 7.93 3.89 0.00 1.63 1.66 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.65 4.09 0.00 3.77 3.84 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 0.00 123 D 7.54 4.34 0.00 2.15 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 0.00 124 L 7.23 3.98 0.00 1.68 1.69 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.54 3.89 0.00 1.64 1.83 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.04 4.09 0.00 2.20 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 0.00 2.32 2.48 0.00 127 A 8.24 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.03 4.05 0.00 4.02 3.92 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 0.00 129 R 7.54 4.23 0.00 1.93 1.98 0.00 3.16 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 130 R 7.12 4.09 0.00 2.05 1.96 0.00 3.27 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 131 R 8.56 4.32 0.00 1.81 1.99 0.00 3.35 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 132 L 7.72 4.77 0.00 1.63 1.58 0.93 0.88 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 0.00 133 E 8.44 4.62 0.00 1.96 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 2.26 2.27 0.00 134 T 8.12 4.33 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 1.14 0.00 0.00 135 A 8.76 4.15 1.23 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 * Residues marked with a * may have inaccurate shift predictions.