NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5610 8.3349 115.4088 58.0886 65.9916 173.5825 3 H 4.6739 7.5288 116.9686 55.3713 28.1841 173.7282 *5 K 4.3307 9.6706 130.7154 57.7318 34.4368 176.4539 6 H 4.0601 8.1404 115.3056 59.2717 28.3722 177.7882 7 T 3.8118 7.7465 116.7711 66.7449 68.3973 176.4741 8 E 3.9575 8.1081 119.9608 59.2527 29.3416 179.2426 9 L 3.8809 8.1796 119.3227 58.0454 41.7552 179.8675 10 R 3.9104 7.9382 117.6123 59.1055 29.8799 179.0340 11 A 3.9919 8.3747 120.8117 55.1426 18.4583 179.5453 12 A 3.9062 8.1872 119.3723 55.0522 18.3517 180.1782 13 V 3.4775 7.4389 116.8789 66.2990 31.7621 178.1976 14 L 3.9849 8.3375 119.1488 57.8165 41.1733 179.1637 15 D 4.1923 8.1891 117.2048 57.1845 41.5361 177.9251 16 A 4.1319 7.7552 120.6165 55.2492 18.4829 179.5108 17 L 4.0418 8.0277 117.4916 58.1979 41.7325 179.7401 18 E 4.5251 8.0069 119.2148 58.2709 29.0456 179.1457 19 K 4.1827 7.7756 117.4660 58.3072 32.1992 177.1028 20 H 4.7626 7.6382 114.2267 55.3979 30.6237 173.7966 21 D 4.5932 7.4218 114.9456 54.0889 44.4441 175.8492 22 T 4.8670 8.6733 115.0795 61.6940 69.5399 174.9247 23 G 3.8569 9.1159 112.1437 47.5372 0.0000 174.3690 24 A 4.8854 7.8857 121.0457 50.7948 21.6183 176.7075 25 T 4.3078 8.3298 116.4554 62.4859 69.7716 174.3291 26 F 4.9908 8.7729 125.7740 56.4871 40.4876 175.3936 27 F 4.7300 9.5905 121.6170 55.8128 42.4878 174.2120 28 D 4.9763 8.7517 122.4878 54.4682 40.8341 175.4019 29 G 4.0184 9.0426 111.4183 43.9866 0.0000 171.1585 30 R 3.8176 7.6662 119.9309 53.9082 30.4565 174.4355 31 P 4.0434 0.0000 0.0000 62.5693 31.6845 176.0314 32 A 3.9762 8.4310 128.5367 55.0296 18.8992 178.1069 33 V 4.3921 7.3229 112.2221 58.9844 33.5445 177.2554 34 F 4.3528 8.6128 124.8647 55.6125 41.7097 174.0061 35 D 4.6862 7.6622 128.7119 52.9097 41.7711 177.2099 36 E 4.3595 9.1399 123.1306 59.3132 29.7362 175.3912 37 A 4.2888 8.1705 119.4279 54.5038 18.5580 178.0875 38 D 4.4352 8.1383 114.9657 55.5840 41.1983 177.0897 39 F 4.5998 7.4621 118.6614 56.8726 39.6679 173.1924 40 P 4.9912 0.0000 0.0000 62.3993 33.1154 174.6975 41 A 5.2363 8.6864 121.8455 50.2134 23.0790 175.0464 42 V 4.9584 8.5355 118.9559 60.9753 34.9993 174.2492 43 A 5.4772 9.5585 129.1124 50.2208 22.2417 174.7546 44 V 5.0588 8.6005 122.5691 61.3947 34.1412 174.1593 45 Y 5.1683 8.4567 124.3117 56.5758 41.7057 172.8446 46 L 6.0595 8.9741 119.2303 52.5702 44.6883 176.1606 47 T 4.6816 8.0790 110.7719 60.7974 72.6600 174.5067 48 G 3.8816 9.1580 109.2195 45.7910 0.0000 173.5082 49 A 4.7041 8.1252 121.0935 52.8746 18.8510 177.3753 50 E 4.4203 9.3784 119.2315 54.7098 33.4265 174.2067 51 Y 2.8937 7.1175 123.9440 57.9418 39.0392 175.6413 52 T 4.1554 8.3726 115.7744 61.3423 71.3400 175.9224 53 G 4.0405 6.9544 112.0785 45.9989 0.0000 175.3614 54 E 3.5319 7.4335 112.3155 59.9705 29.7343 185.0000 55 E 3.9988 9.0201 114.3626 59.6776 30.4119 181.1816 56 L 4.1835 7.7653 115.7871 54.3988 42.1584 175.7082 57 D 4.4117 8.1506 120.3534 53.8877 39.2315 172.3085 58 S 4.7091 8.8249 116.5639 56.6164 66.3359 174.5528 59 D 5.2186 8.5080 120.1775 53.8849 39.3331 175.8335 60 T 4.7992 7.5682 115.2776 63.2244 70.8980 175.1833 61 W 4.7154 9.4055 126.0557 54.7642 33.0093 174.4084 62 Q 5.1303 8.8076 122.1364 54.6739 32.1911 173.9223 63 A 4.9797 9.2647 126.0408 51.2076 23.9942 173.9817 64 E 5.0438 9.4482 120.5603 54.5760 32.0150 174.2894 65 L 4.9987 8.9997 129.7760 54.0227 43.9235 174.5292 66 H 5.1502 9.2491 124.1563 54.1273 31.6022 174.2469 67 I 4.9557 8.5485 122.2057 59.8656 40.6728 173.5157 68 E 4.9068 9.5633 129.1367 54.0995 32.6993 174.5753 69 V 4.6171 8.2753 126.8532 61.3910 33.5795 174.2023 70 F 5.2111 9.4890 127.1020 56.0055 41.3994 174.9294 71 L 4.9593 9.0384 121.5654 52.1897 46.8576 173.8395 72 P 4.0921 0.0000 0.0000 62.6522 31.8516 177.3631 73 A 3.8567 8.3793 128.6630 56.3899 18.2495 179.8745 74 Q 4.1776 7.8557 110.2496 56.0191 28.3536 178.3792 75 V 3.8835 7.2219 117.5104 62.6935 32.4183 174.0648 76 P 4.4408 0.0000 0.0000 62.1165 32.3153 177.0839 77 A 4.0690 8.5916 121.7068 55.6908 18.0165 180.3741 78 S 4.1699 8.0730 113.2427 61.6131 62.9493 176.3276 79 E 4.0293 8.2642 122.2008 59.1296 29.1895 178.7499 80 L 4.0934 7.9681 117.4191 58.0926 41.8902 178.6857 81 D 4.7664 8.3301 118.3209 56.8654 41.1090 178.2506 82 A 4.2607 8.5257 121.5978 55.0059 18.3009 179.7679 83 W 4.3349 8.2541 126.4874 58.8032 30.5240 178.2387 *85 E 4.4363 8.1533 115.1103 55.5571 31.4702 180.4259 86 S 4.3146 7.9621 113.4529 61.1992 63.0448 175.4960 87 R 4.4987 7.8657 115.8937 56.1055 30.5179 176.1607 88 I 4.5223 7.1561 116.4772 62.3355 40.2066 176.5304 89 Y 4.3165 8.4407 121.8791 60.6612 38.8766 176.5397 90 P 4.2775 0.0000 0.0000 65.4127 31.8041 178.7352 91 V 3.7468 7.6114 120.5691 62.3371 30.1126 177.2842 *93 S 4.3188 8.1074 115.5731 58.6373 65.0916 174.8952 94 D 4.7413 7.5814 118.9926 52.1238 41.4493 180.2271 95 I 4.4284 7.3055 124.6048 57.7099 37.8872 174.4136 96 P 4.2225 0.0000 0.0000 65.8880 30.8351 178.2784 97 A 4.0190 7.8677 118.9209 54.5824 18.6476 178.8286 98 L 4.0345 7.8597 119.2764 58.0299 42.1515 179.1877 99 S 4.0790 7.8407 114.6852 61.7182 62.7730 176.0135 100 D 4.5618 7.8332 118.4266 55.9525 40.6303 177.0431 101 L 4.5119 7.6296 118.3015 54.3916 43.2861 175.8504 102 I 4.6690 7.4630 111.1891 59.2578 39.9409 174.7124 103 T 4.6789 8.4556 108.9974 61.8893 70.5939 173.6752 104 S 4.5600 7.5364 113.2388 57.9072 67.1080 174.8850 *106 V 4.3072 7.9440 117.8735 61.2889 32.5897 175.1349 107 A 3.9340 8.8293 124.1011 52.8533 18.6092 175.3788 108 S 4.4293 8.6873 111.8153 58.7988 64.1803 175.0020 109 G 4.2215 8.2580 103.7564 45.2998 0.0000 169.8282 110 Y 4.8532 8.3345 120.1740 56.5825 41.2641 173.1044 111 D 5.0634 8.4092 126.7854 52.5268 44.8455 174.9424 112 Y 4.7725 8.5875 119.6546 56.9892 39.0717 175.1954 113 R 4.8541 8.9537 125.6648 55.1652 34.1516 175.4526 114 R 4.5567 8.1219 119.1144 55.3460 34.0570 174.9954 115 D 3.3700 7.0860 120.5644 53.8615 39.3280 176.9179 116 D 4.2010 8.1002 125.3653 56.3567 39.8583 178.0313 117 D 4.4143 7.6619 117.1406 55.0881 40.4243 179.3440 118 A 4.3910 7.8546 121.8134 54.7199 20.1963 179.3340 119 G 4.1983 8.5401 104.0750 45.3859 0.0000 174.8584 120 L 4.4038 8.5195 124.1965 55.9840 43.6445 175.8118 121 W 5.5495 7.4774 114.2522 54.6030 32.0275 174.2566 122 S 4.9873 9.6709 113.9754 57.1465 65.8393 172.4397 123 S 5.3809 9.2836 117.5558 58.2263 66.9032 172.8299 124 A 4.5142 8.0225 121.0016 49.8940 22.1030 174.2652 125 D 4.8531 8.4705 122.8850 52.2239 43.9741 174.4242 126 L 4.9562 8.7597 129.7282 53.8994 43.7319 175.1507 127 T 5.2123 8.4508 116.5015 60.0800 71.9250 172.6254 128 Y 5.1366 8.8493 120.5985 56.2743 42.3253 174.4267 129 V 4.8299 8.6029 122.5673 61.4453 32.9025 175.1008 130 I 5.1479 8.7894 121.2932 59.3148 41.1938 174.4473 131 T 5.4010 8.5008 113.0776 60.5793 72.1755 172.2075 132 Y 4.9928 8.3731 120.3345 56.9331 42.1488 174.4158 133 E 4.7677 8.8041 117.5389 55.8001 30.0157 176.2809 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 2 S 8.33 4.56 0.00 3.96 4.02 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 0.00 0.00 0.00 3 H 7.53 4.67 0.00 3.19 2.37 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 K 9.67 4.33 0.00 1.85 1.85 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.78 1.48 7.81 6 H 8.14 4.06 0.00 3.15 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.75 3.81 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 1.06 0.00 0.00 8 E 8.11 3.96 0.00 2.08 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 2.42 2.40 0.00 9 L 8.18 3.88 0.00 1.68 1.56 0.21 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.94 3.91 0.00 1.88 2.01 0.00 3.37 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 11 A 8.37 3.99 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 12 A 8.19 3.91 1.34 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 13 V 7.44 3.48 2.25 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 1.07 0.00 0.00 0.95 0.00 0.00 14 L 8.34 3.98 0.00 1.65 1.63 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.19 4.19 0.00 2.71 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 16 A 7.76 4.13 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 17 L 8.03 4.04 0.00 1.84 2.06 1.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.01 4.53 0.00 1.83 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 1.47 1.47 0.00 19 K 7.78 4.18 0.00 1.97 1.74 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.42 1.63 7.81 20 H 7.64 4.76 0.00 3.14 3.34 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.42 4.59 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 22 T 8.67 4.87 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 1.18 0.00 0.00 23 G 9.12 3.86 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 0.00 0.00 0.00 24 A 7.89 4.89 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 25 T 8.33 4.31 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 0.77 0.00 0.00 26 F 8.77 4.99 0.00 2.84 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 27 F 9.59 4.73 0.00 2.93 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 28 D 8.75 4.98 0.00 2.69 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 29 G 9.04 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.67 3.82 0.00 0.67 1.25 0.00 2.87 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.20 0.00 31 P 0.00 4.04 0.00 1.63 1.05 0.00 3.28 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.00 32 A 8.43 3.98 1.25 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 0.00 0.00 0.00 33 V 7.32 4.39 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 0.77 0.00 0.00 0.93 0.00 0.00 34 F 8.61 4.35 0.00 2.79 2.95 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 0.00 0.00 0.00 35 D 7.66 4.69 0.00 2.52 2.48 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 36 E 9.14 4.36 0.00 1.93 1.98 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 2.33 1.92 0.00 37 A 8.17 4.29 1.32 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 0.00 0.00 0.00 38 D 8.14 4.44 0.00 1.90 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.46 4.60 0.00 3.32 2.98 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 40 P 0.00 4.99 0.00 1.09 1.87 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 41 A 8.69 5.24 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.96 1.39 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 1.01 0.00 0.00 0.83 0.00 0.00 43 A 9.56 5.48 1.52 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 0.00 0.00 44 V 8.60 5.06 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 1.11 0.00 0.00 1.10 0.00 0.00 45 Y 8.46 5.17 0.00 3.12 2.95 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 0.00 0.00 0.00 46 L 8.97 6.06 0.00 1.55 1.61 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.08 4.68 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 1.37 0.00 0.00 48 G 9.16 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 0.00 0.00 0.00 49 A 8.13 4.70 1.65 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 0.00 0.00 50 E 9.38 4.42 0.00 1.87 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 0.00 2.48 2.16 0.00 51 Y 7.12 2.89 0.00 1.92 2.41 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 52 T 8.37 4.16 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 1.04 0.00 0.00 53 G 6.95 4.04 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 0.00 0.00 0.00 54 E 7.43 3.53 0.00 1.95 1.76 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 2.26 2.18 0.00 55 E 9.02 4.00 0.00 1.97 1.94 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 2.25 1.95 0.00 56 L 7.77 4.18 0.00 1.58 1.71 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.15 4.41 0.00 2.80 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 58 S 8.82 4.71 0.00 3.94 3.87 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 59 D 8.51 5.22 0.00 2.92 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 60 T 7.57 4.80 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 1.10 0.00 0.00 61 W 9.41 4.72 0.00 2.36 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 62 Q 8.81 5.13 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 63 A 9.26 4.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.45 5.04 0.00 2.06 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 0.00 2.03 2.31 0.00 65 L 9.00 5.00 0.00 1.78 1.60 0.93 0.68 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 66 H 9.25 5.15 0.00 1.40 2.56 0.00 5.61 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 67 I 8.55 4.96 1.97 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 1.20 0.89 1.04 0.00 0.00 68 E 9.56 4.91 0.00 2.15 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 1.47 1.91 0.00 69 V 8.28 4.62 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 0.49 0.00 0.00 0.97 0.00 0.00 70 F 9.49 5.21 0.00 2.73 2.55 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 0.00 71 L 9.04 4.96 0.00 1.48 1.36 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.09 0.00 1.84 1.71 0.00 3.32 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.15 0.00 73 A 8.38 3.86 1.22 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 0.00 0.00 74 Q 7.86 4.18 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 75 V 7.22 3.88 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 1.10 0.00 0.00 0.99 0.00 0.00 76 P 0.00 4.44 0.00 2.26 2.15 0.00 3.91 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 2.09 1.97 0.00 77 A 8.59 4.07 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.07 4.17 0.00 3.90 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 79 E 8.26 4.03 0.00 2.14 2.06 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 2.43 2.44 0.00 80 L 7.97 4.09 0.00 2.04 1.84 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.33 4.77 0.00 2.94 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 82 A 8.53 4.26 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 83 W 8.25 4.33 0.00 3.65 3.24 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 0.00 *85 E 8.15 4.44 0.00 2.05 1.89 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 2.13 1.91 0.00 86 S 7.96 4.31 0.00 3.64 3.79 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 87 R 7.87 4.50 0.00 1.80 1.95 0.00 2.21 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.95 0.00 88 I 7.16 4.52 2.11 0.00 0.00 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 1.54 0.96 1.11 0.00 0.00 89 Y 8.44 4.32 0.00 2.98 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 90 P 0.00 4.28 0.00 2.06 2.09 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 91 V 7.61 3.75 2.19 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 0.95 0.00 0.00 0.79 0.00 0.00 *93 S 8.11 4.32 0.00 3.96 3.85 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 94 D 7.58 4.74 0.00 2.65 2.45 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 95 I 7.31 4.43 1.79 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 1.42 0.60 0.90 0.00 0.00 96 P 0.00 4.22 0.00 2.24 2.30 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 97 A 7.87 4.02 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 98 L 7.86 4.03 0.00 1.72 1.79 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.84 4.08 0.00 4.05 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 0.00 100 D 7.83 4.56 0.00 2.68 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 0.00 101 L 7.63 4.51 0.00 1.80 1.67 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.46 4.67 2.13 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 1.64 0.67 0.94 0.00 0.00 103 T 8.46 4.68 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 1.26 0.00 0.00 104 S 7.54 4.56 0.00 3.86 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 *106 V 7.94 4.31 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 0.81 0.00 0.00 0.98 0.00 0.00 107 A 8.83 3.93 1.24 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 0.00 0.00 0.00 108 S 8.69 4.43 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.26 4.22 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 0.00 0.00 0.00 110 Y 8.33 4.85 0.00 2.92 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 0.00 111 D 8.41 5.06 0.00 2.49 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 0.00 112 Y 8.59 4.77 0.00 2.84 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 0.00 113 R 8.95 4.85 0.00 1.85 1.97 0.00 3.07 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 114 R 8.12 4.56 0.00 1.53 1.63 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 115 D 7.09 3.37 0.00 1.58 1.74 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 0.00 116 D 8.10 4.20 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.66 4.41 0.00 2.69 2.55 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 0.00 118 A 7.85 4.39 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.54 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 0.00 0.00 0.00 0.00 120 L 8.52 4.40 0.00 1.89 1.96 1.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.48 5.55 0.00 3.57 3.46 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 0.00 122 S 9.67 4.99 0.00 3.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 9.28 5.38 0.00 3.24 3.40 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 0.00 124 A 8.02 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.47 4.85 0.00 2.73 2.32 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 0.00 126 L 8.76 4.96 0.00 1.87 1.73 1.14 0.82 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 0.00 127 T 8.45 5.21 4.04 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 0.82 0.00 0.00 128 Y 8.85 5.14 0.00 2.94 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 0.00 129 V 8.60 4.83 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 0.83 0.00 0.00 0.96 0.00 0.00 130 I 8.79 5.15 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.94 0.00 0.00 131 T 8.50 5.40 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 1.24 0.00 0.00 132 Y 8.37 4.99 0.00 3.16 3.10 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 0.00 133 E 8.80 4.77 0.00 2.03 1.94 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 2.27 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.