NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2466 8.2985 120.2476 56.3188 30.7315 176.1681 2 A 4.0551 8.5443 125.9504 53.0759 18.9267 176.4093 3 A 4.1285 7.9022 118.1781 53.6446 20.6719 175.7614 4 V 4.6517 7.4764 116.2674 61.7798 32.6600 175.5953 5 T 4.6981 8.9703 118.6839 60.1303 71.3453 173.1770 6 Q 5.2544 8.8480 124.7496 54.6432 31.5145 175.1124 7 S 4.6737 8.9005 116.1288 56.6608 66.0970 172.3841 8 P 4.8793 0.0000 0.0000 61.5412 33.6024 175.0909 9 R 4.2511 8.4238 117.1537 58.5649 31.2119 176.0716 10 N 5.5782 8.0279 114.6116 51.2367 42.2938 174.1695 11 K 4.6073 9.2100 123.9861 54.8103 36.1418 174.6964 12 V 4.9588 8.5435 126.2893 61.0813 33.7812 174.2812 13 A 5.0049 9.1274 128.6150 50.2517 22.8747 175.3503 14 V 4.5128 8.4432 112.6872 59.9713 34.1226 176.3147 15 T 4.1125 8.0345 120.0577 65.5481 68.4115 175.4551 16 G 4.3602 9.3963 115.2068 44.4473 0.0000 173.0524 17 E 3.9568 7.9746 121.0718 56.4673 30.8940 175.9065 18 K 4.8828 8.4783 127.3784 54.9365 32.9973 175.5879 19 V 4.3486 8.5760 128.3279 61.4071 34.1899 174.7548 20 T 4.8194 8.1561 122.6382 61.7116 71.4189 173.2740 21 L 4.2632 8.4257 127.8651 54.1531 43.2968 176.3863 22 S 5.3323 8.8719 119.1539 56.9633 66.1011 172.3483 23 C 5.6085 8.9699 122.8225 54.8760 47.2447 172.1085 24 N 5.9066 9.0815 123.3461 51.8995 42.1887 172.9245 25 Q 5.5981 9.2237 123.4099 53.3915 31.5321 175.2059 26 T 4.6296 8.4671 115.3484 61.7606 68.9640 175.0735 27 N 4.4011 8.2768 119.0580 53.7123 39.2282 174.9857 28 N 4.1852 7.9387 115.1842 54.7876 37.3670 173.3726 29 H 4.8871 8.3204 111.6809 54.7223 30.3271 175.1939 30 N 4.5885 8.6424 118.8030 55.4236 39.2759 175.2461 31 N 5.3737 7.7312 116.1840 52.3311 40.0174 174.6661 32 M 5.1330 7.7688 121.5678 53.8427 36.7242 173.7631 33 Y 5.5945 9.3994 118.9294 56.2770 43.4138 174.5385 34 W 5.4821 9.5150 119.8091 55.7763 32.7446 174.4677 35 Y 5.5022 10.3667 123.3624 56.1973 41.3364 175.0337 36 R 5.0505 9.0275 116.3796 54.6085 33.2514 173.9192 37 Q 4.9768 9.2833 123.2711 53.8687 32.3627 175.1036 38 D 5.1691 8.4282 127.3809 52.8727 39.8494 176.0076 39 T 4.2407 8.4569 105.0716 63.3121 70.6373 173.8502 40 G 3.9740 8.4791 109.2140 46.5469 0.0000 174.4629 41 H 4.7582 7.3320 117.8802 54.6633 28.6897 174.3967 42 E 4.0103 8.8840 125.9958 58.1442 29.9972 177.1194 43 L 4.8759 8.4245 125.6960 53.7155 43.5131 176.0178 44 R 4.8500 9.0472 122.3408 53.9369 33.6776 174.9922 45 L 3.6533 8.4940 125.5032 55.6483 42.9582 176.3193 46 I 4.1177 9.0511 127.2401 62.9084 38.8998 175.0922 47 Y 5.3295 7.8183 117.9373 57.0015 42.7719 173.0203 48 Y 5.4184 9.0736 119.8065 56.0837 42.7026 173.5943 49 S 4.4205 8.2478 113.1798 57.2246 65.4206 174.4944 50 Y 4.5217 8.1386 123.7150 57.9007 38.2837 175.4942 51 G 3.9812 7.1958 108.2961 43.7920 0.0000 171.2530 52 A 4.1654 8.0773 122.1529 54.1215 18.3630 178.1674 53 G 3.9875 9.1389 111.9378 44.9496 0.0000 173.3413 54 S 4.6930 7.7527 114.5414 57.6141 63.7414 174.1307 55 T 4.5867 8.3450 122.8757 62.6601 71.6842 172.7509 56 E 4.5516 8.9619 127.1055 53.7926 32.4527 176.1906 57 K 2.9591 8.5274 124.0912 55.3968 32.5999 177.0604 58 G 4.2270 8.4785 117.8851 47.0325 0.0000 175.4255 59 D 4.7952 9.1719 123.1999 54.6065 41.8258 176.7997 60 I 4.6469 7.2045 110.0842 58.6700 37.0324 173.2858 61 P 4.6186 0.0000 0.0000 64.0079 32.4396 176.9924 62 D 4.3592 7.9860 120.5252 56.0773 41.0302 176.5216 63 G 3.6347 8.7660 113.1120 45.3751 0.0000 172.0419 *65 Y 5.1810 7.2336 115.4885 58.0092 39.3482 174.3641 66 K 4.5738 8.7856 121.7515 54.6910 36.1960 174.6900 67 A 4.8329 7.7165 125.2396 50.2960 23.0435 175.3699 68 S 4.3733 8.5349 113.2135 56.9702 66.0436 173.7463 69 R 5.5956 8.7265 128.4196 53.1317 28.4662 173.9365 70 P 4.2842 0.0000 0.0000 65.0257 31.9927 176.7984 71 S 4.5958 7.4778 110.2147 56.7497 65.8465 172.6473 72 Q 4.0264 8.9238 120.3511 59.6681 29.0142 177.4666 73 E 4.4535 8.1171 113.3093 56.1753 30.3881 174.4677 74 N 5.9725 7.8576 117.1840 50.7025 42.0436 173.1871 75 F 5.4513 8.9793 125.1734 56.7164 42.8890 173.0190 76 S 5.1182 9.0458 121.2597 56.4448 65.7526 172.6253 77 L 4.4308 7.7873 125.1072 53.4710 44.0504 174.9947 78 T 4.8330 8.6790 122.3634 61.7064 72.1930 172.9884 79 L 4.6275 8.8071 127.0225 53.1684 42.3780 176.7313 80 E 3.7794 8.7210 126.6877 59.0417 31.0406 175.9346 81 S 4.9397 8.0946 114.5969 55.4062 64.5235 172.1733 82 A 4.5842 8.9330 128.0063 51.9069 19.4896 176.0759 83 T 4.7937 8.4063 114.4485 59.7097 70.9089 172.8862 84 P 4.3657 0.0000 0.0000 65.5362 31.5765 178.4812 85 S 4.2724 7.6270 111.0893 60.4977 63.0818 174.9370 86 Q 4.4815 8.6058 119.7825 56.2913 28.9930 174.9905 87 T 4.4235 7.7417 114.8516 62.2818 68.0794 173.4651 88 S 4.5529 8.5284 122.3007 58.4279 67.5373 174.6769 89 V 4.7038 7.8765 121.4079 61.5563 32.9575 174.0167 90 Y 5.1019 9.1907 126.3297 56.6144 39.9479 174.6663 91 F 5.6330 9.7445 122.9163 55.9259 42.6449 173.4492 92 C 5.0564 9.8055 122.6720 54.7781 45.4789 172.3382 93 A 5.6804 8.8556 125.0475 49.7588 22.7714 174.8983 94 S 5.2671 8.1977 112.4254 57.0370 67.2346 173.0332 95 G 4.2323 8.9018 104.3815 45.3956 0.0000 174.3439 96 G 4.0761 8.7265 111.7331 44.6705 0.0000 174.0096 97 G 3.9123 8.1651 107.5263 47.0521 0.0000 172.7989 98 G 3.8151 8.1884 113.0587 45.7122 0.0000 176.6650 *105 T 3.9030 8.4529 116.9028 62.8705 69.3413 172.4656 106 L 4.6049 7.8922 124.2375 53.0054 44.3155 175.2456 107 Y 4.7037 8.6625 121.4171 56.3517 40.1397 175.1295 108 F 5.1058 9.1010 123.0851 56.2793 41.0191 176.0479 109 G 4.1771 9.1512 109.5291 45.1449 0.0000 174.4165 110 A 4.2157 8.7450 121.7390 53.4227 18.6110 178.9935 111 G 3.6970 8.3608 101.0526 45.5985 0.0000 173.2857 112 T 4.6793 8.4668 115.7277 61.5060 72.2232 173.3893 113 R 4.5544 9.2304 129.1155 55.5190 31.4524 174.7631 114 L 5.2298 8.9543 129.1395 53.4748 44.7896 175.1087 115 S 5.0951 8.9782 122.1986 56.6645 66.3219 173.4095 116 V 4.7975 8.3079 123.1508 61.0914 32.9267 174.6788 117 L 4.4445 8.7639 131.4428 54.3256 43.6448 177.0101 118 S 5.0868 8.4241 117.7641 57.9840 63.3320 173.9157 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 E 8.30 4.25 0.00 2.08 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 1.95 1.47 0.00 2 A 8.54 4.06 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 3 A 7.90 4.13 1.14 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 0.00 0.00 4 V 7.48 4.65 2.12 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 0.83 0.00 0.00 1.00 0.00 0.00 5 T 8.97 4.70 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 1.23 0.00 0.00 6 Q 8.85 5.25 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 7 S 8.90 4.67 0.00 3.91 3.70 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 8 P 0.00 4.88 0.00 2.34 2.08 0.00 3.80 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 1.94 1.93 0.00 9 R 8.42 4.25 0.00 2.00 1.98 0.00 3.37 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 10 N 8.03 5.58 0.00 2.60 2.67 0.00 0.00 6.58 7.61 0.00 0.00 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 K 9.21 4.61 0.00 1.79 1.55 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.39 7.81 12 V 8.54 4.96 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 9.13 5.00 1.16 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 0.00 0.00 14 V 8.44 4.51 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 0.73 0.00 0.00 0.94 0.00 0.00 15 T 8.03 4.11 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 1.25 0.00 0.00 16 G 9.40 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.97 3.96 0.00 2.13 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 2.26 2.24 0.00 18 K 8.48 4.88 0.00 1.75 1.67 0.00 1.57 0.00 0.00 2.24 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.20 7.81 19 V 8.58 4.35 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 0.76 0.00 0.00 0.85 0.00 0.00 20 T 8.16 4.82 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 1.11 0.00 0.00 21 L 8.43 4.26 0.00 0.62 1.30 -0.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.87 5.33 0.00 3.84 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 23 C 8.97 5.61 0.00 2.90 3.11 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 0.00 24 N 9.08 5.91 0.00 2.89 2.61 0.00 0.00 6.56 7.64 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 25 Q 9.22 5.60 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.23 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 26 T 8.47 4.63 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 1.20 0.00 0.00 27 N 8.28 4.40 0.00 2.63 2.18 0.00 0.00 6.77 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 28 N 7.94 4.19 0.00 2.80 2.87 0.00 0.00 7.03 7.89 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 29 H 8.32 4.89 0.00 3.32 3.36 0.00 5.76 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 30 N 8.64 4.59 0.00 2.81 3.09 0.00 0.00 6.92 6.92 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 31 N 7.73 5.37 0.00 2.82 2.40 0.00 0.00 6.37 7.52 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 32 M 7.77 5.13 0.00 1.77 1.26 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 2.45 2.51 0.00 33 Y 9.40 5.59 0.00 3.07 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 34 W 9.52 5.48 0.00 3.53 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 35 Y 10.37 5.50 0.00 3.16 3.04 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 36 R 9.03 5.05 0.00 1.31 1.47 0.00 2.63 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 37 Q 9.28 4.98 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 38 D 8.43 5.17 0.00 2.77 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 39 T 8.46 4.24 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 1.23 0.00 0.00 40 G 8.48 3.97 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 0.00 0.00 0.00 41 H 7.33 4.76 0.00 3.20 3.15 0.00 5.88 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.88 4.01 0.00 1.99 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 0.00 2.35 2.38 0.00 43 L 8.42 4.88 0.00 1.49 1.71 0.61 0.31 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 44 R 9.05 4.85 0.00 1.76 1.83 0.00 3.16 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 45 L 8.49 3.65 0.00 1.37 1.41 0.44 0.96 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 46 I 9.05 4.12 2.02 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 0.57 0.00 0.00 47 Y 7.82 5.33 0.00 2.91 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 48 Y 9.07 5.42 0.00 2.51 2.94 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 49 S 8.25 4.42 0.00 3.15 2.63 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 0.00 0.00 0.00 50 Y 8.14 4.52 0.00 3.01 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 51 G 7.20 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.08 4.17 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 53 G 9.14 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 54 S 7.75 4.69 0.00 3.96 3.98 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 0.00 0.00 0.00 0.00 55 T 8.34 4.59 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 1.31 0.00 0.00 56 E 8.96 4.55 0.00 1.16 1.12 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 1.68 1.65 0.00 57 K 8.53 2.96 0.00 1.45 1.42 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.96 1.34 7.81 58 G 8.48 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 59 D 9.17 4.80 0.00 2.60 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 7.20 4.65 1.98 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 1.66 0.70 0.95 0.00 0.00 61 P 0.00 4.62 0.00 2.01 1.93 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 62 D 7.99 4.36 0.00 2.71 2.68 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 0.00 0.00 0.00 0.00 63 G 8.77 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 *65 Y 7.23 5.18 0.00 3.31 2.97 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 66 K 8.79 4.57 0.00 1.73 1.46 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.15 1.29 7.81 67 A 7.72 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.53 4.37 0.00 3.84 3.62 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 69 R 8.73 5.60 0.00 2.11 1.85 0.00 3.67 0.00 0.00 3.03 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 70 P 0.00 4.28 0.00 2.24 2.21 0.00 4.16 0.00 0.00 3.75 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 71 S 7.48 4.60 0.00 4.02 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 72 Q 8.92 4.03 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 73 E 8.12 4.45 0.00 2.31 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 0.00 2.33 2.27 0.00 74 N 7.86 5.97 0.00 2.82 2.80 0.00 0.00 6.51 8.01 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 75 F 8.98 5.45 0.00 2.96 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 76 S 9.05 5.12 0.00 3.95 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 77 L 7.79 4.43 0.00 0.27 0.13 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.68 4.83 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 1.16 0.00 0.00 79 L 8.81 4.63 0.00 1.45 1.47 0.77 0.60 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 80 E 8.72 3.78 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 2.33 2.33 0.00 81 S 8.09 4.94 0.00 3.83 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.93 4.58 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 83 T 8.41 4.79 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 1.21 0.00 0.00 84 P 0.00 4.37 0.00 2.22 2.12 0.00 3.64 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 2.12 2.10 0.00 85 S 7.63 4.27 0.00 4.02 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 86 Q 8.61 4.48 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 87 T 7.74 4.42 4.42 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 0.00 0.00 0.00 1.29 0.00 0.00 88 S 8.53 4.55 0.00 3.97 3.43 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 89 V 7.88 4.70 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 0.56 0.00 0.00 0.95 0.00 0.00 90 Y 9.19 5.10 0.00 3.01 3.15 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 91 F 9.74 5.63 0.00 3.28 3.20 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 0.00 92 C 9.81 5.06 0.00 1.23 2.56 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 93 A 8.86 5.68 0.19 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 94 S 8.20 5.27 0.00 3.96 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 95 G 8.90 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 96 G 8.73 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 0.00 0.00 0.00 97 G 8.17 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 98 G 8.19 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 0.00 0.00 0.00 *105 T 8.45 3.90 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 0.39 0.00 0.00 106 L 7.89 4.60 0.00 1.18 1.09 0.58 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.66 4.70 0.00 2.85 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 0.00 108 F 9.10 5.11 0.00 2.81 2.97 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 0.00 109 G 9.15 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 0.00 0.00 0.00 0.00 110 A 8.74 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 3.70 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 0.00 0.00 0.00 112 T 8.47 4.68 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 113 R 9.23 4.55 0.00 1.86 1.99 0.00 3.19 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 114 L 8.95 5.23 0.00 1.79 1.68 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.98 5.10 0.00 3.81 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 0.00 116 V 8.31 4.80 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 0.77 0.00 0.00 0.94 0.00 0.00 117 L 8.76 4.44 0.00 1.81 1.64 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.42 5.09 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.