NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1848 8.2649 123.5840 51.6902 20.8095 173.4463 2 K 3.6171 7.9881 122.5529 55.1859 32.5149 174.6516 3 Q 3.9276 8.5740 125.4566 59.3395 30.1575 177.7840 4 S 4.1295 8.0812 114.8344 61.8343 62.8023 176.2887 5 M 3.9771 7.9635 121.5558 58.0212 31.8236 178.2346 6 K 3.8180 8.0575 118.4592 59.9619 32.3283 179.0442 7 A 3.9786 7.8164 120.5338 55.0034 16.7364 179.2609 8 R 3.8196 7.8771 117.3929 59.7885 30.0166 178.3113 9 E 3.7499 8.0856 118.3978 59.3197 29.7970 178.6006 10 V 3.5581 7.2464 117.6949 66.4303 31.3722 177.7629 11 K 3.8895 7.9024 117.2844 59.7978 31.9544 179.3250 12 R 4.3139 7.5227 118.7845 59.2558 29.7538 178.5250 13 V 3.6491 7.5669 117.3943 64.9273 31.7281 177.1007 14 A 4.2534 8.4844 119.8472 55.7071 18.3310 179.2780 15 L 3.8850 8.3479 117.1773 58.1180 41.7233 179.4838 16 A 4.5278 8.0946 121.4483 54.4528 18.1419 177.7009 17 D 4.6821 7.8958 117.2314 54.2765 41.0753 178.1593 18 K 4.0896 7.7799 123.7447 61.5958 33.1968 177.4487 19 Y 4.0390 8.2719 120.8332 57.8736 38.6836 176.4012 20 F 4.2566 8.6044 120.0586 61.9370 39.5673 178.0388 21 A 4.3668 8.2051 115.3347 52.6712 17.9420 177.7406 22 K 4.4347 8.1557 120.9347 57.8039 34.8725 177.2850 23 R 4.4179 7.7084 114.6671 56.0315 32.2867 176.4730 24 A 3.8775 8.2608 120.3613 52.2340 17.5495 178.0899 25 E 4.1973 7.9787 119.9736 58.9393 30.5319 178.4045 26 L 3.9767 7.9241 120.2733 58.3164 39.9447 178.8235 27 K 3.8283 8.1240 118.1557 60.3715 32.1564 177.7521 28 A 4.3603 7.6620 119.2655 51.8852 18.3427 177.7016 29 I 4.1946 7.1336 116.2904 63.0348 38.7493 176.6619 30 I 4.3134 8.4648 120.0721 63.0073 39.2724 177.9167 31 S 4.9893 7.8354 116.0218 57.3289 62.1644 172.5591 32 D 4.1588 7.2492 123.3586 53.1469 41.7769 177.2289 33 V 3.9644 8.3173 121.3466 62.6808 31.0882 175.1142 34 N 4.2460 7.8671 125.6650 53.2892 40.5186 176.9249 35 A 4.0187 8.6300 122.3352 52.6168 17.6103 177.4525 *40 R 5.1605 7.6688 115.3386 57.6338 30.8381 174.4872 41 W 5.3211 8.1958 124.9171 55.1030 34.4083 175.0290 42 N 4.2329 8.1691 123.4247 56.7794 38.6253 177.2196 43 A 4.0209 7.6356 121.6005 55.0274 17.9336 179.4602 44 V 3.8142 7.9549 116.3367 65.4721 31.6435 176.9142 45 L 4.4674 7.9073 117.2501 55.6021 41.9650 177.3977 46 K 4.5113 7.5433 115.9130 57.3530 34.3321 177.8284 47 L 4.1397 7.9263 120.7618 58.2641 41.8927 178.8192 48 Q 4.1896 7.5038 115.5236 58.3208 28.2444 177.4185 49 T 4.3567 7.2967 111.4279 61.1346 69.0069 172.8222 50 L 4.5452 8.0455 133.7605 55.6962 42.9871 173.7739 51 P 4.1762 0.0000 0.0000 63.3040 33.0352 179.3944 52 R 3.7289 8.4070 117.1269 56.5978 29.6111 175.9268 53 D 4.3473 9.0102 120.5776 57.2760 42.1850 176.4052 54 S 4.5839 7.3281 114.3718 56.4578 60.6986 172.5888 55 S 4.2026 7.2055 118.6526 55.8486 67.1662 173.2603 56 P 4.4246 0.0000 0.0000 66.4662 31.2811 180.0496 57 S 4.6010 8.0175 112.8458 58.3097 61.9819 175.0016 58 R 4.4901 8.0640 119.5754 55.9508 31.8168 176.3454 59 Q 4.1527 7.9978 117.9408 55.5466 29.2238 175.7502 60 R 4.2118 9.3672 118.7203 55.1023 29.2032 175.2016 61 N 3.9770 8.0306 114.7274 49.9713 37.2932 172.2103 62 R 4.2654 7.3763 122.6370 55.6723 30.7589 176.0467 63 C 4.1126 8.3267 121.0353 59.9711 31.7428 173.8217 64 R 3.8723 8.5150 128.3398 59.9605 29.4748 177.1079 65 Q 3.9925 7.8067 118.0261 58.9817 29.4808 177.6159 66 T 4.0020 7.8234 109.2854 60.5776 68.9832 175.3142 67 G 5.3183 8.4468 123.7017 45.5856 0.0000 172.0708 68 R 3.8808 7.6461 121.6917 55.8047 30.0918 174.7878 69 P 4.1503 0.0000 0.0000 66.1845 31.6388 177.4023 70 H 3.9322 8.1184 117.2425 55.8988 28.5896 174.9560 71 G 4.1077 8.4173 121.8030 45.9995 0.0000 171.8937 72 F 5.2107 8.3334 126.6344 56.2261 42.6340 174.1057 73 L 4.4011 7.3280 126.2769 52.8815 44.0188 177.1109 74 R 3.5959 8.6163 123.8100 59.2423 30.1272 178.0601 75 K 3.5850 7.7622 116.8028 59.3735 31.6513 177.3332 76 F 4.3858 7.4664 115.8607 57.4464 39.8084 177.8656 77 G 3.7814 8.8823 109.4257 45.4179 0.0000 173.0437 78 L 4.7793 7.0630 119.9764 52.5382 44.2063 175.8887 79 S 5.3648 8.4424 113.4458 56.9772 64.0198 175.1752 80 R 3.9182 8.6090 117.9812 59.8272 28.9986 178.6028 81 I 3.8697 7.6058 119.0772 63.7584 37.2010 177.8464 82 K 3.8146 7.8224 117.7540 59.8084 31.9999 179.2624 83 V 3.3318 7.6811 118.1301 65.9484 31.2375 177.8198 84 R 3.7601 7.8912 118.0854 59.5885 29.6896 177.8108 85 E 3.9659 8.1745 116.0320 59.6320 29.7343 179.0489 86 A 4.0567 8.1783 120.0107 55.2000 18.4357 179.3976 87 A 3.9192 8.1704 117.3956 54.6568 18.4581 178.6845 88 M 4.2044 7.5378 115.9633 56.6404 32.5879 177.8640 89 R 4.3839 7.8478 117.2153 56.5371 30.4005 176.8815 90 G 4.1175 8.0980 106.5745 45.4860 0.0000 175.4926 91 E 4.0329 8.3021 121.0658 58.0238 29.6932 177.0179 92 I 4.4281 6.8425 116.7949 58.4065 38.7585 173.7148 93 P 4.3501 0.0000 0.0000 63.6039 31.9658 177.8211 94 G 4.0048 8.8206 109.1618 45.7714 0.0000 173.2804 95 L 4.2794 7.4936 121.9786 54.1026 42.3190 175.7359 96 K 4.5295 8.2015 123.7645 54.8542 35.6589 175.1087 97 K 3.8155 8.6293 117.8583 56.6221 31.5654 177.1749 98 A 4.3342 8.5360 127.1051 52.1780 19.1090 176.6897 99 S 4.7403 8.5472 110.2765 57.7876 65.1435 176.6883 100 W 4.5239 8.4483 120.4527 57.1371 27.2818 174.0466 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 A 8.26 4.18 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 2 K 7.99 3.62 0.00 2.04 1.82 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.57 3.93 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 4 S 8.08 4.13 0.00 4.08 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 0.00 5 M 7.96 3.98 0.00 2.04 2.35 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 6 K 8.06 3.82 0.00 2.00 1.90 0.00 1.91 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.79 7.81 7 A 7.82 3.98 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 8 R 7.88 3.82 0.00 2.10 2.07 0.00 3.08 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 9 E 8.09 3.75 0.00 2.09 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 2.27 2.33 0.00 10 V 7.25 3.56 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 0.98 0.00 0.00 0.97 0.00 0.00 11 K 7.90 3.89 0.00 1.77 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.61 7.81 12 R 7.52 4.31 0.00 2.01 1.94 0.00 3.23 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.45 0.00 13 V 7.57 3.65 2.28 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 0.86 0.00 0.00 0.96 0.00 0.00 14 A 8.48 4.25 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.35 3.88 0.00 1.84 1.65 0.85 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.09 4.53 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 17 D 7.90 4.68 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 4.09 0.00 2.01 2.05 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.79 1.67 7.81 19 Y 8.27 4.04 0.00 3.15 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 20 F 8.60 4.26 0.00 3.12 3.34 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 21 A 8.21 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.16 4.43 0.00 1.68 1.92 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.31 7.81 23 R 7.71 4.42 0.00 1.81 1.83 0.00 2.59 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 24 A 8.26 3.88 -0.02 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 25 E 7.98 4.20 0.00 2.08 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 0.00 2.06 2.31 0.00 26 L 7.92 3.98 0.00 1.82 1.96 0.99 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.12 3.83 0.00 1.93 2.08 0.00 1.43 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.57 7.81 28 A 7.66 4.36 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 29 I 7.13 4.19 1.89 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 1.25 0.83 0.85 0.00 0.00 30 I 8.46 4.31 1.87 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 1.15 0.55 0.71 0.00 0.00 31 S 7.84 4.99 0.00 3.99 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 32 D 7.25 4.16 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.96 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 34 N 7.87 4.25 0.00 2.71 2.69 0.00 0.00 6.24 7.26 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 35 A 8.63 4.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 5.16 0.00 2.06 2.19 0.00 2.62 0.00 0.00 3.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 41 W 8.20 5.32 0.00 3.26 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 42 N 8.17 4.23 0.00 2.58 2.56 0.00 0.00 7.06 8.15 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 43 A 7.64 4.02 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 44 V 7.95 3.81 2.44 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 1.09 0.00 0.00 1.14 0.00 0.00 45 L 7.91 4.47 0.00 1.93 1.81 0.95 0.46 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 46 K 7.54 4.51 0.00 1.78 1.81 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.53 7.81 47 L 7.93 4.14 0.00 1.91 1.71 0.98 1.04 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 48 Q 7.50 4.19 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.73 0.00 49 T 7.30 4.36 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 1.25 0.00 0.00 50 L 8.05 4.55 0.00 1.74 1.80 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.18 0.00 2.21 2.40 0.00 4.03 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.33 0.00 52 R 8.41 3.73 0.00 1.85 1.68 0.00 3.26 0.00 0.00 3.18 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 53 D 9.01 4.35 0.00 2.72 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 54 S 7.33 4.58 0.00 3.72 3.55 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 55 S 7.21 4.20 0.00 3.62 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.28 2.41 0.00 3.94 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 57 S 8.02 4.60 0.00 3.89 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 58 R 8.06 4.49 0.00 1.82 1.86 0.00 3.13 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 59 Q 8.00 4.15 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.13 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 60 R 9.37 4.21 0.00 1.72 1.91 0.00 3.15 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 61 N 8.03 3.98 0.00 1.88 1.42 0.00 0.00 7.13 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 62 R 7.38 4.27 0.00 1.97 2.09 0.00 3.21 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 63 C 8.33 4.11 0.00 3.07 3.03 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 64 R 8.51 3.87 0.00 2.10 2.00 0.00 3.46 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 1.70 1.69 0.00 65 Q 7.81 3.99 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 66 T 7.82 4.00 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 1.23 0.00 0.00 67 G 8.45 5.32 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 0.00 68 R 7.65 3.88 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 69 P 0.00 4.15 0.00 2.13 2.10 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 70 H 8.12 3.93 0.00 3.21 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.42 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 0.00 0.00 0.00 0.00 72 F 8.33 5.21 0.00 3.04 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 73 L 7.33 4.40 0.00 1.63 1.52 1.09 1.04 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 74 R 8.62 3.60 0.00 1.72 2.00 0.00 3.29 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 75 K 7.76 3.58 0.00 1.24 1.06 0.00 1.26 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 F 7.47 4.39 0.00 3.13 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 77 G 8.88 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 78 L 7.06 4.78 0.00 1.59 1.60 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.44 5.36 0.00 4.06 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 80 R 8.61 3.92 0.00 1.96 2.18 0.00 3.05 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 81 I 7.61 3.87 1.88 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 1.64 0.83 0.91 0.00 0.00 82 K 7.82 3.81 0.00 1.80 2.06 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.65 7.81 83 V 7.68 3.33 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 0.46 0.00 0.00 0.86 0.00 0.00 84 R 7.89 3.76 0.00 1.89 2.09 0.00 3.16 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 85 E 8.17 3.97 0.00 2.07 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 2.31 2.39 0.00 86 A 8.18 4.06 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 87 A 8.17 3.92 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 88 M 7.54 4.20 0.00 1.95 2.34 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.81 0.00 89 R 7.85 4.38 0.00 1.75 1.96 0.00 3.13 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 90 G 8.10 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 0.00 0.00 0.00 91 E 8.30 4.03 0.00 1.94 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 2.42 2.25 0.00 92 I 6.84 4.43 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.49 0.96 0.00 0.00 93 P 0.00 4.35 0.00 2.24 2.19 0.00 3.82 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 2.12 1.99 0.00 94 G 8.82 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 0.00 0.00 0.00 95 L 7.49 4.28 0.00 1.64 1.56 1.07 0.55 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 96 K 8.20 4.53 0.00 1.85 1.74 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.48 7.81 97 K 8.63 3.82 0.00 1.79 1.88 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.41 7.81 98 A 8.54 4.33 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 99 S 8.55 4.74 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 0.00 100 W 8.45 4.52 0.00 3.38 3.13 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 * Residues marked with a * may have inaccurate shift predictions.