NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2981 0.0000 0.0000 62.2175 32.6137 175.1673 3 K 4.2557 8.3706 118.1311 54.4268 32.3099 175.6340 4 K 3.9813 9.1795 127.5282 57.0404 33.9361 175.1187 5 V 5.0686 8.1970 123.8088 61.4827 34.8416 173.9414 6 L 4.9906 8.8878 126.2512 53.3782 46.8145 175.0607 7 T 4.9275 7.5825 108.7990 59.6031 71.6470 173.3930 8 G 4.5922 8.2525 110.1028 46.2113 0.0000 170.9774 9 V 4.7175 8.0906 118.7474 61.0060 34.0965 175.4912 10 V 4.2166 8.9315 127.1291 63.1304 32.5233 176.4330 11 V 4.6676 8.2461 117.6590 60.3037 33.9801 175.3996 12 S 4.7869 7.4234 112.8275 57.9911 65.1436 176.3001 13 D 4.9214 8.9284 123.1305 52.7271 40.9513 176.6416 14 K 4.4295 7.5965 120.5344 55.9016 30.7081 176.2265 15 M 4.7030 7.2659 115.9074 54.2054 35.1427 175.4911 16 Q 4.1445 8.6209 120.3108 56.1521 28.6547 176.3494 17 K 4.0280 9.1804 122.3215 57.6240 29.5360 175.1983 18 T 5.3492 7.0890 111.4516 62.3298 73.0747 174.4050 19 V 4.7969 8.0654 113.1619 61.8249 36.0841 173.6187 20 T 4.2679 8.6446 124.0014 63.6697 69.5991 173.5678 21 V 4.6425 8.8653 126.9953 60.8931 34.6820 173.9953 22 L 4.8650 8.6165 130.0518 53.6854 43.5607 174.8535 23 V 4.5190 8.9215 127.9115 61.4371 33.1466 174.8553 24 E 4.8874 8.6133 126.9928 55.6626 31.7424 175.5834 25 R 4.7148 8.5378 120.9504 55.5143 33.9895 173.7815 26 Q 5.1504 8.3509 123.7236 54.5154 32.1049 173.8965 27 F 4.7619 7.8019 113.2145 55.7613 41.6982 171.1277 28 P 4.9078 0.0000 0.0000 62.2471 32.1575 176.2283 29 H 4.3906 8.9514 125.0872 55.4977 30.2737 174.0433 30 P 4.2760 0.0000 0.0000 65.2999 30.8003 176.4023 31 L 4.4957 8.2434 116.3178 54.4135 43.5875 175.8614 32 Y 4.7562 7.6680 113.5395 57.2625 39.0952 175.9268 33 G 4.1098 7.7374 111.8453 47.3935 0.0000 173.3797 34 K 4.6802 7.2394 118.1826 51.6029 33.2592 174.8374 35 V 4.0007 8.5472 128.5063 63.1927 31.9343 174.9707 36 I 4.4102 8.4527 122.4419 59.3140 40.1008 174.8356 37 K 4.9192 8.1587 122.1595 55.1333 35.0187 175.4681 38 R 4.7788 8.5892 121.2782 55.3640 33.8924 173.7752 39 S 5.3204 8.5744 118.6177 56.7757 66.7568 172.6236 40 K 4.6429 8.9486 119.8025 55.1961 35.9223 174.2976 41 K 5.2109 8.5236 124.9324 55.0638 34.2411 175.0361 42 Y 4.5656 9.1725 122.8866 55.9810 40.8249 174.9177 43 L 4.6583 8.7176 124.3220 54.3231 42.4923 176.1901 44 A 4.9693 8.8423 126.5091 50.8309 21.7214 175.1025 45 H 4.9765 9.0205 120.7998 55.2648 31.4511 173.6419 46 D 5.1258 8.7206 127.3924 51.1751 40.6852 174.3117 47 P 4.1896 0.0000 0.0000 64.6895 31.5244 177.7980 48 E 4.3058 8.0440 116.2099 55.4540 30.4648 175.3115 49 E 3.9459 7.9157 118.6009 57.3706 27.5491 174.6396 50 K 4.1754 8.5569 118.4342 58.6263 34.3536 176.9439 51 Y 3.9412 7.6371 117.8655 57.6905 37.9435 176.5411 52 K 4.5053 8.4670 123.8596 54.3319 35.3182 175.3437 53 L 3.9717 8.4145 120.2539 56.2115 42.2733 177.5077 54 G 4.0537 8.3416 107.5472 46.1197 0.0000 173.3487 55 D 4.6649 7.6933 119.6839 53.8474 42.8298 175.9734 56 V 4.8722 8.3847 121.6907 61.0199 33.1810 174.6681 57 V 4.8281 8.0233 122.1834 59.4731 35.4853 174.0760 58 E 4.8922 8.2632 119.3643 55.0703 32.8510 175.6134 59 I 4.7384 8.6429 123.9506 59.5133 40.3424 174.4408 60 I 5.0627 8.3267 125.0668 58.8140 41.1175 173.8730 61 E 2.6335 9.0780 130.2598 57.0214 29.7832 176.1860 62 S 4.6793 7.6614 120.9631 56.3016 67.6895 173.7265 63 R 3.8979 8.4303 120.7799 55.5464 30.2932 174.2607 64 P 4.2086 0.0000 0.0000 63.6037 31.6306 176.0523 65 I 4.2221 7.8082 123.3245 61.6481 38.8275 175.4212 66 S 4.5069 7.3881 112.1027 57.2092 64.7797 175.8163 67 K 3.9300 7.9687 121.6664 57.4387 32.3493 178.2388 68 R 3.9383 8.5617 121.9648 56.8517 30.3767 175.7193 69 K 4.5231 8.4036 118.9475 54.9445 32.1363 175.7884 70 R 4.6723 8.2910 129.4453 55.0302 31.5078 175.3385 71 F 5.0645 8.2360 116.3767 56.4882 43.8599 174.0264 72 R 4.8423 8.4354 122.7887 54.2665 32.1029 176.2596 73 V 3.5975 8.0133 123.4920 63.7297 31.7164 174.6849 74 L 4.5942 9.0595 129.8447 55.4717 42.6939 176.1992 75 R 4.7539 7.2084 112.3659 54.9659 32.2761 173.0488 76 L 4.4224 8.9330 123.4673 54.8753 43.1476 176.4049 77 V 4.6178 9.0336 125.4519 63.1308 32.2961 174.3849 78 E 4.5255 8.4611 116.1127 54.9144 29.1936 175.3363 79 S 4.7929 8.5592 117.4326 56.8334 64.5309 172.7156 80 G 3.9818 8.5524 111.3918 46.0437 0.0000 173.9647 81 R 4.7942 8.3431 130.4549 54.2700 31.8239 177.4832 82 M 4.0276 8.5185 119.8364 58.3718 31.6033 177.6610 83 D 4.3152 8.0781 119.1533 56.4946 39.3207 178.5847 84 L 4.0542 8.1825 120.8267 57.4573 41.6874 179.5476 85 V 3.7070 7.8608 117.7076 66.4145 31.4093 176.8695 86 E 3.8253 8.8465 117.9401 60.0508 29.2716 179.2115 87 K 3.7540 8.0704 115.6932 60.3260 32.2702 178.1757 88 Y 4.3539 8.0490 118.9112 61.3248 38.6652 178.9903 89 L 3.5939 7.8542 119.4546 57.4177 41.7340 179.4851 90 I 3.5683 7.9637 120.1344 64.3787 36.8687 178.3172 91 R 3.7004 7.8601 117.8896 59.4314 30.2473 178.5306 92 R 3.2381 7.1992 117.9517 59.4350 29.9303 178.4556 93 Q 3.9735 7.9155 117.7179 59.0870 28.6774 178.6099 94 N 4.3946 7.9981 117.0003 55.7439 38.4341 176.8765 95 Y 4.2762 7.4345 118.8766 61.2446 37.8620 178.0963 96 E 4.2812 7.8253 118.2314 58.1585 29.6469 177.3584 97 S 4.8180 7.8905 112.3780 58.4404 63.3115 174.3388 98 L 4.8738 8.4687 117.9036 55.0238 43.6050 179.1048 99 S 4.6349 7.8762 116.7365 58.2895 63.0997 176.4297 100 K 4.4560 8.2486 111.4272 56.4323 34.2780 176.3169 *101 R 4.1415 7.9275 120.2010 56.2298 30.0213 176.3738 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 P 0.00 4.30 0.00 2.20 2.16 0.00 3.73 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 1.89 2.00 0.00 3 K 8.37 4.26 0.00 1.73 1.88 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.47 7.81 4 K 9.18 3.98 0.00 1.97 1.91 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.56 1.55 7.81 5 V 8.20 5.07 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 0.86 0.00 0.00 1.04 0.00 0.00 6 L 8.89 4.99 0.00 1.22 1.24 0.67 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.58 4.93 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 1.21 0.00 0.00 8 G 8.25 4.59 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 0.00 0.00 0.00 9 V 8.09 4.72 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 1.03 0.00 0.00 0.92 0.00 0.00 10 V 8.93 4.22 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 0.97 0.00 0.00 1.07 0.00 0.00 11 V 8.25 4.67 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 0.62 0.00 0.00 0.73 0.00 0.00 12 S 7.42 4.79 0.00 3.93 3.68 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 13 D 8.93 4.92 0.00 2.78 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 14 K 7.60 4.43 0.00 1.81 1.88 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.27 4.70 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 16 Q 8.62 4.14 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.29 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 17 K 9.18 4.03 0.00 2.04 1.97 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 18 T 7.09 5.35 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 1.29 0.00 0.00 19 V 8.07 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 1.12 0.00 0.00 0.95 0.00 0.00 20 T 8.64 4.27 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 1.16 0.00 0.00 21 V 8.87 4.64 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 0.75 0.00 0.00 0.86 0.00 0.00 22 L 8.62 4.87 0.00 1.54 1.54 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.92 4.52 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 0.51 0.00 0.00 24 E 8.61 4.89 0.00 1.87 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 2.25 2.27 0.00 25 R 8.54 4.71 0.00 1.93 1.94 0.00 3.17 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 26 Q 8.35 5.15 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 27 F 7.80 4.76 0.00 3.08 3.18 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 28 P 0.00 4.91 0.00 2.07 2.11 0.00 3.87 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 2.10 2.16 0.00 29 H 8.95 4.39 0.00 3.40 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.28 0.00 2.19 2.18 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 31 L 8.24 4.50 0.00 1.34 1.12 0.74 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.67 4.76 0.00 2.70 2.76 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 0.00 0.00 0.00 33 G 7.74 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 34 K 7.24 4.68 0.00 1.83 1.73 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 35 V 8.55 4.00 2.05 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 0.89 0.00 0.00 0.94 0.00 0.00 36 I 8.45 4.41 1.69 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.96 0.00 0.00 37 K 8.16 4.92 0.00 1.57 1.68 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.31 7.81 38 R 8.59 4.78 0.00 1.88 1.79 0.00 3.20 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 39 S 8.57 5.32 0.00 3.91 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 40 K 8.95 4.64 0.00 1.86 1.83 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.92 1.22 7.81 41 K 8.52 5.21 0.00 1.59 1.64 0.00 1.59 0.00 0.00 1.16 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.27 7.81 42 Y 9.17 4.57 0.00 2.56 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 43 L 8.72 4.66 0.00 1.58 1.67 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.84 4.97 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 45 H 9.02 4.98 0.00 3.29 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.72 5.13 0.00 2.83 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 47 P 0.00 4.19 0.00 2.23 2.21 0.00 3.80 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 48 E 8.04 4.31 0.00 1.93 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 2.28 2.29 0.00 49 E 7.92 3.95 0.00 2.07 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 2.40 2.24 0.00 50 K 8.56 4.18 0.00 1.54 1.75 0.00 1.00 0.00 0.00 1.47 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 0.61 7.81 51 Y 7.64 3.94 0.00 2.98 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 52 K 8.47 4.51 0.00 1.87 1.84 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.35 7.81 53 L 8.41 3.97 0.00 1.95 1.62 1.03 1.01 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 54 G 8.34 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 0.00 0.00 0.00 0.00 55 D 7.69 4.66 0.00 2.90 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 56 V 8.38 4.87 2.21 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 1.12 0.00 0.00 0.93 0.00 0.00 57 V 8.02 4.83 1.82 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 0.75 0.00 0.00 0.76 0.00 0.00 58 E 8.26 4.89 0.00 1.81 1.75 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 2.16 2.36 0.00 59 I 8.64 4.74 1.53 0.00 0.00 0.71 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 0.55 0.90 0.00 0.00 60 I 8.33 5.06 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.50 1.01 0.00 0.00 61 E 9.08 2.63 0.00 1.92 1.78 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 2.12 2.03 0.00 62 S 7.66 4.68 0.00 3.65 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 63 R 8.43 3.90 0.00 1.73 1.79 0.00 3.23 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 64 P 0.00 4.21 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 65 I 7.81 4.22 1.84 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 1.27 0.75 0.71 0.00 0.00 66 S 7.39 4.51 0.00 3.92 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 67 K 7.97 3.93 0.00 1.81 1.73 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.44 7.81 68 R 8.56 3.94 0.00 1.95 2.03 0.00 3.29 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 69 K 8.40 4.52 0.00 1.79 1.71 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.61 7.81 70 R 8.29 4.67 0.00 1.88 1.71 0.00 3.25 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 71 F 8.24 5.06 0.00 3.00 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 72 R 8.44 4.84 0.00 1.77 1.87 0.00 3.17 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 73 V 8.01 3.60 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.71 0.00 0.00 74 L 9.06 4.59 0.00 1.61 1.65 0.93 0.89 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 75 R 7.21 4.75 0.00 1.94 2.01 0.00 3.04 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 76 L 8.93 4.42 0.00 1.94 1.72 1.10 0.93 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 77 V 9.03 4.62 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 0.86 0.00 0.00 0.97 0.00 0.00 78 E 8.46 4.53 0.00 2.26 2.40 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 2.18 2.13 0.00 79 S 8.56 4.79 0.00 3.85 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 80 G 8.55 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 81 R 8.34 4.79 0.00 1.95 1.87 0.00 3.46 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 82 M 8.52 4.03 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 83 D 8.08 4.32 0.00 2.87 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 84 L 8.18 4.05 0.00 1.82 1.77 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.86 3.71 2.27 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 1.16 0.00 0.00 1.05 0.00 0.00 86 E 8.85 3.83 0.00 2.20 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 0.00 2.61 2.53 0.00 87 K 8.07 3.75 0.00 1.95 1.87 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.64 7.81 88 Y 8.05 4.35 0.00 3.03 3.19 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 89 L 7.85 3.59 0.00 2.00 1.58 0.91 0.56 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 90 I 7.96 3.57 1.87 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 1.59 0.77 0.85 0.00 0.00 91 R 7.86 3.70 0.00 1.58 1.82 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 92 R 7.20 3.24 0.00 1.66 1.81 0.00 2.84 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 93 Q 7.92 3.97 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 94 N 8.00 4.39 0.00 2.70 2.80 0.00 0.00 7.01 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 95 Y 7.43 4.28 0.00 3.06 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 96 E 7.83 4.28 0.00 2.01 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 0.00 2.35 2.37 0.00 97 S 7.89 4.82 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 98 L 8.47 4.87 0.00 1.79 1.71 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.88 4.63 0.00 3.98 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 0.00 100 K 8.25 4.46 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 *101 R 7.93 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.