NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2039 8.1727 122.0570 56.2973 34.1016 173.9380 2 V 4.6942 8.2231 127.2331 60.7643 32.4102 174.5241 3 F 4.3803 9.4490 128.1145 57.1732 40.1091 175.6446 4 G 3.8074 9.0367 109.0825 46.0791 0.0000 174.8891 5 R 3.3322 8.7717 120.6030 59.5737 30.1437 179.7270 6 C 4.3353 8.0944 115.7449 59.7145 37.6980 175.3721 7 E 3.9136 8.1880 120.5912 59.4164 29.1893 178.6370 8 L 3.4659 8.2402 120.2944 57.6418 42.0663 178.4612 9 A 3.8903 7.9405 120.6073 55.2671 18.3425 179.3230 10 A 3.9188 8.1851 118.9449 55.4183 18.4380 179.7644 11 A 3.9814 7.9766 119.1449 55.5315 18.3533 179.7638 12 M 3.8106 8.2802 117.6770 58.2992 32.0020 178.9597 13 K 4.2269 8.0090 121.0963 59.0417 32.1863 178.9270 14 R 3.9056 7.9021 117.8811 59.0916 29.9523 177.1142 15 H 4.6817 7.8272 114.0406 54.8564 28.8914 175.2603 16 G 3.8645 7.7617 108.1094 46.7500 0.0000 175.4193 17 L 3.8140 7.8878 121.9482 55.3823 42.2060 176.7756 18 D 4.6518 7.9038 119.4358 54.2931 39.6706 175.9589 19 N 4.4269 9.1577 120.0638 53.9681 37.1050 173.2142 20 Y 4.2354 8.3431 120.6290 58.8550 39.1659 175.9667 21 R 3.3791 9.0379 124.9662 57.2364 27.9320 177.1290 22 G 3.6928 8.1433 103.4225 45.8046 0.0000 173.7454 23 Y 4.3096 7.9622 118.8887 55.8036 38.4705 175.7101 24 S 4.5698 8.5880 120.0537 58.0182 63.9104 174.8321 25 L 4.2589 9.0772 123.4956 58.9222 41.4807 179.6628 26 G 3.8564 8.3228 104.7613 47.9244 0.0000 175.0871 27 N 4.4866 8.2664 118.5668 56.0927 38.6226 177.5243 28 W 3.8589 7.7790 119.6318 59.5942 29.1987 178.6221 29 V 3.5465 8.1957 118.5390 66.0517 31.0076 177.1532 30 C 2.5848 8.1710 118.2439 59.0444 43.9572 175.2826 31 A 3.9250 7.9874 122.1236 55.2233 17.8876 179.4866 32 A 4.1232 7.7934 120.4536 54.4585 18.4269 179.4557 33 K 2.4800 7.9434 118.5221 59.5325 31.7984 178.8324 34 F 4.5142 7.1918 115.4463 59.5406 39.0081 177.6640 35 E 4.3078 8.2297 118.5834 58.5117 29.8298 177.5898 36 S 4.5651 7.9814 109.6235 56.5153 64.4663 173.3751 37 N 3.9663 8.9452 118.3437 54.7762 37.7475 174.2995 38 F 4.1632 8.1511 110.6267 57.6375 36.5138 173.7966 39 N 5.2584 7.9618 121.0894 51.9217 39.1821 175.7707 40 T 4.0120 9.1121 118.1555 64.5347 68.8486 175.5507 41 Q 4.3572 8.4126 118.5657 55.3405 29.3838 175.4767 42 A 4.2253 7.7983 121.6850 53.0063 19.2149 177.0368 43 T 4.9942 8.3955 111.6458 60.0755 72.3468 173.3296 44 N 4.9142 8.6016 120.7178 51.7528 43.2425 173.7318 45 R 4.4410 8.6122 124.7982 56.2174 31.1154 175.6684 46 N 4.8082 9.2766 124.2656 52.1854 39.8461 176.3978 47 T 3.8781 8.5234 111.5066 64.7992 68.6844 174.7352 48 D 4.4403 7.9663 118.8781 53.7866 39.8177 176.9464 49 G 3.9276 8.2024 109.3647 45.0160 0.0000 173.8028 50 S 4.5630 8.3041 115.0803 58.4591 64.9443 173.1650 51 T 4.9940 8.8178 115.3509 61.9941 72.8128 172.9298 52 D 5.4496 8.9735 125.0762 53.1259 43.4101 175.0667 53 Y 4.7369 9.1489 120.4629 57.5672 41.7121 176.9345 54 G 4.1303 9.3550 112.0490 45.4503 0.0000 173.1070 55 I 3.9909 8.3370 116.3748 62.7804 37.8217 177.5842 56 L 4.7073 7.7633 116.4439 53.5217 42.7309 176.1447 57 Q 3.5723 8.1294 116.0385 57.1113 26.8050 174.5879 58 I 4.0993 7.9750 118.5825 61.4062 38.8578 176.4211 59 N 5.5297 9.4064 126.0818 52.2725 40.1766 175.7912 60 S 4.5575 9.4224 120.9524 60.3236 63.7992 176.1738 61 R 3.4828 8.2881 121.6970 58.5161 30.3676 178.0238 62 W 4.1765 7.6474 114.8142 56.6100 31.5930 176.8589 63 W 5.0112 8.2004 117.1566 57.2729 31.2479 173.7722 64 C 5.5904 8.0593 112.3866 53.8005 43.0566 172.4180 65 N 4.9011 9.0801 119.5202 52.2842 39.6866 174.8546 66 D 4.6449 8.7893 124.2742 52.2631 40.3767 176.9581 67 G 3.9733 8.5010 107.7012 46.2774 0.0000 174.1620 68 R 4.6898 8.2788 115.1415 56.1724 30.1594 176.1481 69 T 4.4106 7.6314 116.4576 60.9878 68.8406 170.1904 70 P 4.2619 0.0000 0.0000 64.1973 31.8450 177.0619 71 G 3.8057 8.8775 110.7829 45.3861 0.0000 173.4545 72 S 4.0464 7.6625 114.0292 57.7126 63.8134 173.4874 73 R 4.4563 7.5109 120.4579 54.8127 32.7797 176.5078 74 N 5.0192 7.9278 114.2104 52.4304 38.6065 174.7321 75 L 4.1672 8.6210 120.3578 57.3957 42.4057 178.0857 76 C 4.5777 8.6386 114.3083 56.5839 40.9755 172.8989 77 N 4.1258 8.0178 116.7876 53.6117 36.1644 174.0495 78 I 4.5972 8.3382 116.8303 58.6238 42.1563 172.0788 79 P 4.7417 0.0000 0.0000 62.5420 32.0925 178.1996 80 C 3.9280 8.9404 120.9770 60.0187 39.9447 176.6262 81 S 3.9288 7.9958 115.0495 61.4937 62.0148 176.2973 82 A 4.1145 7.8080 123.1305 54.2852 18.1893 178.5768 83 L 4.3146 7.8747 116.3158 55.5029 41.6244 177.7761 84 L 5.5439 7.4167 117.4720 53.5982 42.3732 176.7457 85 S 4.3526 7.8013 113.8991 57.9019 62.9606 174.2834 86 S 4.2765 8.5768 120.4202 60.9350 63.1425 174.1911 87 D 4.5911 7.9859 121.1092 53.6779 41.5245 176.0761 88 I 4.1025 8.3025 119.4287 61.3697 37.9477 177.3477 89 T 3.6209 8.1490 119.2415 67.1484 68.3795 175.8073 90 A 3.9288 7.8530 121.5257 55.4033 18.4438 179.6454 91 S 4.0760 7.9545 113.1607 61.6098 62.8064 177.0918 92 V 3.2459 7.7634 120.9119 65.9080 30.7901 177.7303 93 N 4.1157 8.0816 116.3543 56.4634 38.3051 176.5851 94 C 4.2047 8.1931 119.4003 59.6512 42.3936 175.2959 95 A 4.0610 8.1970 122.7106 55.2137 17.6339 179.6302 96 K 3.4477 7.6984 116.2855 59.5280 32.1970 179.3869 97 K 4.1638 7.5099 117.8158 59.3087 31.9991 179.5056 98 I 2.6472 7.4447 120.5157 64.0026 36.4493 178.8334 99 V 4.0449 8.3326 119.4671 63.9530 30.8205 177.3506 100 S 4.6543 7.7501 115.1215 58.9940 62.8666 174.5494 101 D 4.4907 8.0258 120.6282 54.7581 41.2413 175.1212 102 G 3.5424 6.6199 110.9862 46.2868 0.0000 174.5583 103 N 4.7996 8.3055 116.2629 51.8610 39.4988 175.6953 104 G 3.8414 7.8078 107.7131 46.0480 0.0000 175.6612 105 M 4.0625 7.5906 120.2836 56.0801 31.8497 177.9091 106 N 4.7515 7.7456 116.4593 55.7523 38.9413 176.0482 107 A 3.8178 7.3974 120.3249 54.5558 18.5738 177.9582 108 W 4.5648 8.1609 116.8802 55.6272 29.3556 177.3528 109 V 3.7151 8.4720 124.8185 65.8875 31.0884 177.5135 110 A 4.0143 7.9776 120.3551 54.7190 18.1785 179.4640 111 W 3.9563 8.2688 126.4778 60.6548 30.7079 177.9732 112 R 3.5406 8.2529 117.2594 59.4589 29.6356 177.7569 113 N 4.5234 8.2102 114.5227 54.6776 38.8464 176.0421 114 R 4.4061 7.9910 116.0331 55.3742 32.7527 175.1103 115 C 4.7150 7.7057 113.6332 57.9411 42.3075 174.0702 116 K 3.1703 6.7847 119.6358 57.9658 31.5977 176.7106 117 G 3.9128 8.8655 114.6571 45.5922 0.0000 173.2400 118 T 4.3008 7.3322 109.5953 60.5395 70.3222 175.6155 119 D 4.7063 8.2168 121.1174 53.8148 39.3007 176.6762 120 V 4.1575 7.8354 116.3131 63.3783 32.6374 178.4597 121 Q 4.1191 8.2240 120.1606 58.6000 28.9037 177.3055 122 A 3.9154 7.7818 122.1747 55.2435 18.0103 179.5495 123 W 4.2569 7.8817 116.0768 58.8850 29.3860 177.6294 124 I 4.4404 7.6860 110.7969 59.3419 37.5257 175.2891 125 R 4.0705 7.2095 121.7479 58.1752 30.1516 176.9947 126 G 3.9926 8.9093 112.6473 45.7364 0.0000 174.1284 127 C 4.3528 7.9057 117.9730 56.4019 40.6946 173.7082 128 R 3.9426 8.5039 127.2755 56.3702 28.9620 176.7419 *129 L 4.1530 8.2874 124.5129 54.4187 41.6108 174.0860 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 K 8.17 4.20 0.00 1.77 1.72 0.00 1.35 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 1.13 7.81 2 V 8.22 4.69 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 0.96 0.00 0.00 0.98 0.00 0.00 3 F 9.45 4.38 0.00 2.83 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 4 G 9.04 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 0.00 0.00 0.00 5 R 8.77 3.33 0.00 2.11 2.01 0.00 3.62 0.00 0.00 3.73 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 6 C 8.09 4.34 0.00 3.02 3.12 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 0.00 0.00 0.00 7 E 8.19 3.91 0.00 2.06 2.30 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 2.62 2.42 0.00 8 L 8.24 3.47 0.00 1.41 1.35 -0.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.94 3.89 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 10 A 8.19 3.92 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 11 A 7.98 3.98 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 12 M 8.28 3.81 0.00 1.82 2.14 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 13 K 8.01 4.23 0.00 1.82 1.92 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.61 7.81 14 R 7.90 3.91 0.00 1.84 2.04 0.00 3.24 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 15 H 7.83 4.68 0.00 3.10 3.17 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.76 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 17 L 7.89 3.81 0.00 1.46 0.94 -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.90 4.65 0.00 2.89 2.85 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 19 N 9.16 4.43 0.00 3.01 2.98 0.00 0.00 6.21 8.07 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 20 Y 8.34 4.24 0.00 3.26 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 21 R 9.04 3.38 0.00 2.33 2.17 0.00 3.37 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.87 0.00 22 G 8.14 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 23 Y 7.96 4.31 0.00 3.29 2.43 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 24 S 8.59 4.57 0.00 4.09 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 25 L 9.08 4.26 0.00 1.88 1.85 1.00 1.03 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 26 G 8.32 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 27 N 8.27 4.49 0.00 2.85 2.58 0.00 0.00 7.01 7.66 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 28 W 7.78 3.86 0.00 3.46 3.05 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 0.00 29 V 8.20 3.55 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 1.14 0.00 0.00 0.99 0.00 0.00 30 C 8.17 2.58 0.00 2.59 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 31 A 7.99 3.93 1.05 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 0.00 0.00 0.00 32 A 7.79 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.94 2.48 0.00 0.79 0.74 0.00 0.69 0.00 0.00 0.61 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.19 4.51 0.00 3.05 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 35 E 8.23 4.31 0.00 2.01 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 2.62 2.57 0.00 36 S 7.98 4.57 0.00 4.17 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 0.00 37 N 8.95 3.97 0.00 2.72 2.82 0.00 0.00 7.22 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 38 F 8.15 4.16 0.00 3.35 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 39 N 7.96 5.26 0.00 2.80 2.89 0.00 0.00 6.95 7.29 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 40 T 9.11 4.01 4.49 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 1.59 0.00 0.00 41 Q 8.41 4.36 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 42 A 7.80 4.23 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 43 T 8.40 4.99 3.95 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 1.28 0.00 0.00 44 N 8.60 4.91 0.00 2.74 2.67 0.00 0.00 6.58 7.38 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 45 R 8.61 4.44 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 46 N 9.28 4.81 0.00 2.99 2.71 0.00 0.00 6.46 7.09 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 47 T 8.52 3.88 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 48 D 7.97 4.44 0.00 2.78 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 49 G 8.20 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 50 S 8.30 4.56 0.00 3.92 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 51 T 8.82 4.99 4.34 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 0.54 0.00 0.00 52 D 8.97 5.45 0.00 2.63 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 53 Y 9.15 4.74 0.00 2.97 2.87 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 54 G 9.36 4.13 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 0.00 55 I 8.34 3.99 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 2.31 0.84 0.00 0.00 56 L 7.76 4.71 0.00 1.72 1.81 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.13 3.57 0.00 2.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 58 I 7.97 4.10 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 1.08 0.00 0.00 59 N 9.41 5.53 0.00 3.03 2.98 0.00 0.00 7.44 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 60 S 9.42 4.56 0.00 3.99 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 0.00 61 R 8.29 3.48 0.00 1.80 1.78 0.00 2.67 0.00 0.00 2.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.00 62 W 7.65 4.18 0.00 2.31 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 63 W 8.20 5.01 0.00 3.53 3.29 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 64 C 8.06 5.59 0.00 3.09 3.17 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 0.00 0.00 0.00 65 N 9.08 4.90 0.00 2.82 2.69 0.00 0.00 7.11 8.23 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 66 D 8.79 4.64 0.00 2.82 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 67 G 8.50 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 68 R 8.28 4.69 0.00 1.90 1.96 0.00 3.03 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 69 T 7.63 4.41 4.17 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 0.00 0.00 1.11 0.00 0.00 70 P 0.00 4.26 0.00 1.98 1.98 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 71 G 8.88 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 0.00 0.00 0.00 72 S 7.66 4.05 0.00 3.96 3.75 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 73 R 7.51 4.46 0.00 1.92 1.87 0.00 3.19 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.84 0.00 74 N 7.93 5.02 0.00 2.70 2.61 0.00 0.00 6.90 6.66 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 75 L 8.62 4.17 0.00 1.63 1.86 0.46 0.73 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 76 C 8.64 4.58 0.00 3.31 3.21 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 77 N 8.02 4.13 0.00 2.88 2.86 0.00 0.00 6.63 6.93 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 78 I 8.34 4.60 2.06 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 1.29 1.42 0.94 0.00 0.00 79 P 0.00 4.74 0.00 2.16 1.90 0.00 3.64 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 2.08 2.08 0.00 80 C 8.94 3.93 0.00 1.96 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 81 S 8.00 3.93 0.00 4.04 4.12 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 0.00 0.00 0.00 82 A 7.81 4.11 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 83 L 7.87 4.31 0.00 1.92 1.79 0.99 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.42 5.54 0.00 1.79 1.74 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.80 4.35 0.00 3.84 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 86 S 8.58 4.28 0.00 3.99 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 87 D 7.99 4.59 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 88 I 8.30 4.10 1.67 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.23 0.76 0.00 0.00 89 T 8.15 3.62 4.19 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 1.23 0.00 0.00 90 A 7.85 3.93 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 91 S 7.95 4.08 0.00 3.93 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 92 V 7.76 3.25 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 0.78 0.00 0.00 0.67 0.00 0.00 93 N 8.08 4.12 0.00 2.87 2.80 0.00 0.00 6.72 7.58 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 94 C 8.19 4.20 0.00 3.10 3.05 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 0.00 95 A 8.20 4.06 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 96 K 7.70 3.45 0.00 1.62 1.47 0.00 1.34 0.00 0.00 1.16 0.00 0.00 2.59 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.88 7.81 97 K 7.51 4.16 0.00 1.86 1.92 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.48 7.81 98 I 7.44 2.65 1.46 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.33 0.00 0.00 99 V 8.33 4.04 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 1.40 0.00 0.00 0.88 0.00 0.00 100 S 7.75 4.65 0.00 4.09 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 0.00 101 D 8.03 4.49 0.00 2.97 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 0.00 102 G 6.62 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.80 0.00 2.73 2.84 0.00 0.00 7.08 7.73 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 0.00 104 G 7.81 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 0.00 0.00 0.00 105 M 7.59 4.06 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.87 0.00 106 N 7.75 4.75 0.00 2.89 3.03 0.00 0.00 6.87 8.27 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 0.00 107 A 7.40 3.82 0.69 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 0.00 108 W 8.16 4.56 0.00 3.68 3.32 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 0.00 109 V 8.47 3.72 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 1.17 0.00 0.00 0.99 0.00 0.00 110 A 7.98 4.01 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 0.00 111 W 8.27 3.96 0.00 3.37 3.65 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 0.00 112 R 8.25 3.54 0.00 2.09 2.17 0.00 3.36 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 113 N 8.21 4.52 0.00 2.75 2.78 0.00 0.00 6.86 7.96 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 0.00 114 R 7.99 4.41 0.00 1.58 1.10 0.00 2.88 0.00 0.00 2.87 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.34 0.00 115 C 7.71 4.71 0.00 2.35 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 0.00 116 K 6.78 3.17 0.00 0.79 1.31 0.00 1.66 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.24 1.14 7.81 117 G 8.87 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 0.00 118 T 7.33 4.30 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 1.25 0.00 0.00 119 D 8.22 4.71 0.00 2.78 2.61 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 0.00 120 V 7.84 4.16 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 1.01 0.00 0.00 1.07 0.00 0.00 121 Q 8.22 4.12 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 122 A 7.78 3.92 1.05 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 0.00 0.00 0.00 123 W 7.88 4.26 0.00 3.57 3.38 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 0.00 124 I 7.69 4.44 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 1.05 0.00 0.00 125 R 7.21 4.07 0.00 1.85 1.91 0.00 3.27 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 126 G 8.91 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 0.00 127 C 7.91 4.35 0.00 3.02 3.05 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 0.00 128 R 8.50 3.94 0.00 1.77 1.89 0.00 3.27 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 *129 L 8.29 4.15 0.00 1.45 1.47 0.92 0.81 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 * Residues marked with a * may have inaccurate shift predictions.