NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4887 8.1749 117.3734 63.6962 70.1087 172.9763 2 T 4.5768 9.1463 121.2354 60.0884 71.9426 171.4795 3 I 5.2349 9.2618 120.8490 59.3279 41.3379 174.7043 4 V 4.6372 8.8781 116.2316 59.9501 36.5853 174.2591 5 G 4.5578 8.5892 108.5536 44.6129 0.0000 172.3208 6 V 4.5879 9.0291 123.8860 61.0871 34.8505 174.4885 7 K 4.8228 8.8549 127.6036 55.9368 33.3600 175.9789 8 F 5.0916 8.5011 117.8206 54.6094 41.3511 175.5338 9 N 4.1750 8.9387 118.0079 55.7860 36.8775 175.0543 10 N 4.9474 8.4756 115.4520 51.7971 40.4355 174.6622 11 G 3.5099 6.1797 104.3257 45.3567 0.0000 172.5636 12 V 5.0091 7.7903 119.5090 60.4050 34.5130 174.6531 13 V 4.8080 9.1785 121.9431 60.0097 34.8298 174.3294 14 I 5.2498 8.3588 114.5051 59.4926 40.8222 173.9071 15 A 4.8525 8.7952 123.7269 51.1753 23.0961 174.6369 16 A 5.5932 8.3829 118.4571 52.0510 22.2006 176.1733 17 D 4.7557 8.5753 119.9901 52.5884 41.9184 176.1230 18 T 4.8193 8.1814 105.9896 60.5146 70.2630 172.8007 19 R 4.8360 8.4889 122.8378 55.8608 31.3709 175.2561 20 S 4.9763 9.0184 121.6695 56.7068 64.7504 172.7689 21 T 5.1702 8.4914 115.8722 60.0776 72.3013 173.5498 22 Q 4.3082 9.0428 122.9201 53.9844 30.6987 175.9053 23 G 3.7788 8.7403 117.0626 46.4028 0.0000 171.7581 24 P 4.5391 0.0000 0.0000 62.8627 32.0443 175.8519 25 I 4.1306 7.5467 121.7914 60.0481 38.1510 175.1770 26 V 4.1787 8.2564 125.0636 62.1831 31.1206 175.5629 27 A 4.0523 8.7128 131.4357 54.4785 18.6661 176.9148 28 D 4.8175 7.7990 116.7513 52.3741 42.8220 176.2564 29 K 4.2037 8.6773 125.8460 58.2235 32.9787 177.0237 30 N 5.2152 8.2284 118.1829 52.3616 38.2989 173.3448 31 C 4.5916 8.5654 116.1444 57.9059 32.5171 173.7146 32 A 4.6212 8.4417 121.2639 50.5458 19.5754 176.9964 33 K 4.1521 8.7857 121.2771 56.6409 33.2511 175.9666 34 L 4.7816 7.8210 119.4316 54.4475 41.9381 175.8606 35 H 5.0279 9.7871 122.7562 54.0096 32.0157 173.6374 36 R 3.5488 7.9049 120.7426 54.8878 30.6792 175.9368 37 I 3.9710 8.6425 127.5282 63.0417 38.1224 175.5986 38 S 4.4971 7.2138 112.2330 56.1841 65.8343 172.6300 39 P 4.3140 0.0000 0.0000 65.3420 31.1595 177.7687 40 K 4.7450 7.9444 114.5360 55.8862 32.7961 175.1409 41 I 4.6586 7.8369 120.7794 59.7002 39.5225 174.7095 42 W 5.0117 9.1978 127.2357 55.1256 32.2166 174.9588 43 C 5.3915 9.8687 121.9374 57.8836 35.2656 172.5181 44 A 5.2631 8.3872 124.8418 49.0151 21.9695 175.3447 45 G 4.6423 8.8027 107.2859 44.4447 0.0000 171.4325 46 A 4.7727 9.4508 121.9833 50.6386 23.0300 175.7740 47 G 4.0428 8.8058 103.2899 44.3433 0.0000 174.1029 48 T 3.8488 8.2343 118.1395 63.8115 69.0621 174.1869 49 A 3.9953 8.7716 128.7836 55.4757 18.3222 178.8351 50 A 3.9741 8.0189 118.3407 55.2702 18.3247 179.5388 51 D 4.2270 7.9988 117.1573 57.7178 41.2098 178.7531 52 T 3.8500 7.8556 110.3243 64.8268 68.6587 175.9227 53 E 3.7338 8.2364 121.9857 58.8006 29.6131 178.7106 54 A 3.9222 8.1471 121.1417 55.1626 18.5793 180.0322 55 V 3.4855 8.0260 117.9477 65.1696 31.3516 178.8099 56 T 3.8756 7.7826 116.1558 66.5408 68.2358 176.8433 57 Q 3.9764 8.0004 119.9758 58.3841 28.7405 178.3648 58 L 3.8654 8.1109 121.7617 58.3754 42.2414 179.2027 59 I 3.8017 7.6744 119.6918 64.1636 36.9676 178.6777 60 G 3.6295 8.1023 106.7471 48.0658 0.0000 175.7374 61 S 4.0374 8.2866 115.8202 61.4069 62.4133 176.1393 62 N 4.4114 8.2443 119.0619 56.2066 38.1948 177.5845 63 I 3.7121 8.2608 121.9583 64.0134 37.1070 178.1112 64 E 3.9106 8.1472 120.2552 59.3843 29.5678 178.8167 65 L 4.0244 7.9241 119.0529 58.1407 41.6626 179.1102 66 H 4.1577 8.6103 118.5425 59.1645 29.8803 177.3161 67 S 4.2532 8.2528 115.1186 61.4379 62.0183 176.1963 68 L 4.0517 7.9387 120.7987 57.8778 41.4096 178.5378 69 Y 4.1147 8.0117 119.1639 59.9983 38.6545 176.8076 70 T 4.3890 8.2246 108.5933 60.6573 69.2559 175.1602 71 S 4.3412 7.8597 116.2014 59.6516 61.1927 172.0430 72 R 4.7697 7.2237 116.4527 53.8649 33.3734 175.6499 73 E 4.1652 8.5525 119.4117 55.7632 30.1253 175.5903 74 P 4.4613 0.0000 0.0000 62.6704 32.3568 176.0932 75 R 4.8165 8.1683 120.1434 54.2704 32.5724 177.5219 76 V 3.6237 9.1070 121.8025 66.3740 31.4895 179.0782 77 V 3.6563 7.7696 111.2897 64.0561 31.2716 178.6116 78 S 4.0928 8.0607 115.2750 61.3615 62.6805 176.3294 79 A 3.9448 7.8962 123.0410 54.9010 18.1323 179.2650 80 L 3.8612 8.1013 118.9824 58.3978 42.2195 179.0768 81 Q 3.9396 8.1755 119.4999 59.4589 29.0677 178.0541 82 M 4.0902 8.2601 119.9086 58.1666 31.9588 178.7505 83 L 3.9935 8.1417 119.4969 57.6858 41.8420 179.6113 84 K 4.0239 8.1737 118.7506 60.3787 32.5479 179.1464 85 Q 4.1186 8.2226 119.2653 58.5269 28.3150 178.2623 86 H 4.2439 7.9662 118.2831 59.3973 30.2206 176.9319 87 L 4.1804 8.4687 121.2490 57.8089 41.4623 179.3611 88 F 3.9736 8.7084 120.9785 61.1633 39.1281 176.9460 89 K 3.8044 7.8507 117.6486 59.2864 31.9959 177.1292 90 Y 4.2445 7.4848 115.4153 56.9545 38.2790 175.8542 91 Q 2.9070 7.6832 118.1647 56.8997 25.9763 176.0540 *93 G 3.9801 7.7199 105.3648 45.3725 0.0000 174.8690 94 H 4.3198 8.6861 117.3455 57.8508 28.8251 175.7425 95 I 4.1809 6.8732 117.6640 59.5990 36.6119 176.8880 96 G 4.0976 8.4670 118.7612 45.9943 0.0000 170.6286 97 A 5.1250 7.4419 119.6990 50.3709 21.6010 177.3504 98 Y 4.5723 8.8187 120.0970 56.2179 40.8668 175.0454 99 L 5.4023 8.6742 122.8887 52.9814 46.5830 176.2510 100 I 4.6035 8.7250 121.0577 59.7682 40.0260 174.8371 101 V 4.9027 8.5099 126.8217 59.9577 33.3034 175.0893 102 A 4.8206 9.6550 125.1756 49.7579 23.1204 175.2439 103 G 4.2945 7.6849 109.0185 45.8760 0.0000 172.3306 104 V 4.5527 7.9246 112.6567 59.5455 34.5384 176.1405 105 D 4.2648 8.3966 121.1910 53.9161 38.9642 175.0423 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 T 8.17 4.49 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 1.22 0.00 0.00 2 T 9.15 4.58 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 3 I 9.26 5.23 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.93 0.00 0.00 4 V 8.88 4.64 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 0.79 0.00 0.00 0.94 0.00 0.00 5 G 8.59 4.56 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 0.00 0.00 0.00 6 V 9.03 4.59 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 1.12 0.00 0.00 0.96 0.00 0.00 7 K 8.85 4.82 0.00 1.69 1.66 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.37 7.81 8 F 8.50 5.09 0.00 3.16 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 9 N 8.94 4.18 0.00 2.89 3.11 0.00 0.00 5.69 8.04 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 10 N 8.48 4.95 0.00 2.70 2.90 0.00 0.00 7.09 7.35 0.00 0.00 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 G 6.18 3.51 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 0.00 12 V 7.79 5.01 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 0.73 0.00 0.00 1.02 0.00 0.00 13 V 9.18 4.81 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 1.13 0.00 0.00 0.93 0.00 0.00 14 I 8.36 5.25 1.92 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 1.31 0.77 0.97 0.00 0.00 15 A 8.80 4.85 1.21 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 0.00 0.00 0.00 16 A 8.38 5.59 1.20 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 17 D 8.58 4.76 0.00 2.70 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 18 T 8.18 4.82 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 1.23 0.00 0.00 19 R 8.49 4.84 0.00 1.85 2.05 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 S 9.02 4.98 0.00 3.92 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 21 T 8.49 5.17 4.44 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 0.00 0.00 0.00 1.21 0.00 0.00 22 Q 9.04 4.31 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.76 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 23 G 8.74 3.78 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 0.00 0.00 0.00 24 P 0.00 4.54 0.00 2.19 2.16 0.00 3.76 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 1.96 1.98 0.00 25 I 7.55 4.13 1.99 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 1.18 0.61 0.91 0.00 0.00 26 V 8.26 4.18 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 27 A 8.71 4.05 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 D 7.80 4.82 0.00 2.68 2.52 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 29 K 8.68 4.20 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.42 7.81 30 N 8.23 5.22 0.00 2.70 2.69 0.00 0.00 7.16 7.06 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 31 C 8.57 4.59 0.00 3.09 3.25 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 32 A 8.44 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 33 K 8.79 4.15 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.45 7.81 34 L 7.82 4.78 0.00 1.62 1.93 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.79 5.03 0.00 2.93 3.07 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.90 3.55 0.00 0.67 1.23 0.00 3.07 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.00 37 I 8.64 3.97 1.91 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 1.26 1.27 0.85 0.00 0.00 38 S 7.21 4.50 0.00 3.92 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 39 P 0.00 4.31 0.00 2.12 2.26 0.00 3.63 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 2.06 2.15 0.00 40 K 7.94 4.74 0.00 1.83 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 41 I 7.84 4.66 1.85 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 1.24 0.73 0.98 0.00 0.00 42 W 9.20 5.01 0.00 3.33 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 43 C 9.87 5.39 0.00 2.86 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 44 A 8.39 5.26 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 45 G 8.80 4.64 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 0.00 0.00 0.00 46 A 9.45 4.77 1.21 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 0.00 0.00 0.00 47 G 8.81 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 48 T 8.23 3.85 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 1.27 0.00 0.00 49 A 8.77 4.00 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 50 A 8.02 3.97 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 51 D 8.00 4.23 0.00 2.96 2.70 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 52 T 7.86 3.85 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 1.39 0.00 0.00 53 E 8.24 3.73 0.00 2.11 2.17 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 2.25 2.30 0.00 54 A 8.15 3.92 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 55 V 8.03 3.49 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 0.86 0.00 0.00 0.93 0.00 0.00 56 T 7.78 3.88 4.43 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 1.14 0.00 0.00 57 Q 8.00 3.98 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 58 L 8.11 3.87 0.00 1.73 1.55 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.67 3.80 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.19 0.87 0.00 0.00 60 G 8.10 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 61 S 8.29 4.04 0.00 3.89 4.06 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 62 N 8.24 4.41 0.00 2.75 2.82 0.00 0.00 7.10 6.64 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 63 I 8.26 3.71 2.06 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 1.47 0.93 0.90 0.00 0.00 64 E 8.15 3.91 0.00 2.04 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 0.00 2.31 2.35 0.00 65 L 7.92 4.02 0.00 1.90 1.73 0.92 0.97 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 66 H 8.61 4.16 0.00 3.24 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.25 4.25 0.00 4.06 4.06 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 68 L 7.94 4.05 0.00 1.95 1.76 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.01 4.11 0.00 3.09 3.02 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 70 T 8.22 4.39 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 1.20 0.00 0.00 71 S 7.86 4.34 0.00 4.05 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 72 R 7.22 4.77 0.00 1.59 1.81 0.00 3.19 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 73 E 8.55 4.17 0.00 1.97 1.91 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 2.33 2.30 0.00 74 P 0.00 4.46 0.00 2.05 1.99 0.00 3.66 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 2.03 2.12 0.00 75 R 8.17 4.82 0.00 1.85 1.81 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 9.11 3.62 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 1.12 0.00 0.00 1.03 0.00 0.00 77 V 7.77 3.66 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 0.79 0.00 0.00 0.93 0.00 0.00 78 S 8.06 4.09 0.00 4.04 3.81 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 79 A 7.90 3.94 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 80 L 8.10 3.86 0.00 1.87 1.85 0.93 0.65 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 81 Q 8.18 3.94 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.26 4.09 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 83 L 8.14 3.99 0.00 1.89 1.72 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.17 4.02 0.00 2.00 2.16 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.55 7.81 85 Q 8.22 4.12 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.71 0.00 86 H 7.97 4.24 0.00 3.30 3.62 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.47 4.18 0.00 1.73 1.70 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.71 3.97 0.00 3.23 3.25 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 89 K 7.85 3.80 0.00 2.01 1.88 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.00 1.34 7.81 90 Y 7.48 4.24 0.00 2.94 2.92 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 91 Q 7.68 2.91 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.45 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 *93 G 7.72 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 94 H 8.69 4.32 0.00 3.31 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.87 4.18 1.79 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 0.95 0.25 0.82 0.00 0.00 96 G 8.47 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 97 A 7.44 5.13 1.18 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 98 Y 8.82 4.57 0.00 3.07 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 99 L 8.67 5.40 0.00 1.50 1.66 0.93 0.88 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 0.00 100 I 8.73 4.60 1.92 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 1.33 1.00 0.95 0.00 0.00 101 V 8.51 4.90 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.65 4.82 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 0.00 103 G 7.68 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 0.00 0.00 0.00 0.00 104 V 7.92 4.55 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 0.74 0.00 0.00 0.96 0.00 0.00 105 D 8.40 4.26 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.