NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 R 4.3341 8.2393 119.0773 56.0404 30.8930 174.5497 7 D 4.6745 8.4854 118.7184 50.5358 42.1467 172.4426 8 L 5.1548 8.5231 126.5125 53.6238 44.0536 176.3642 9 E 4.7414 9.1977 122.8389 54.9436 33.6840 174.3391 10 V 4.1898 8.2043 121.4129 62.2807 31.2841 175.9700 11 V 3.9634 8.4901 122.0462 62.4923 32.5059 176.5773 12 A 4.6065 7.4624 120.9540 50.8517 21.9582 174.5857 13 A 4.9122 8.0421 122.5003 51.6307 21.8645 175.1234 14 T 4.7823 8.7033 109.3779 59.4545 72.1253 173.1656 15 P 4.2886 0.0000 0.0000 64.9133 31.5903 177.6549 16 T 5.0385 7.8319 106.2847 61.0703 70.4063 173.5282 17 S 5.1197 7.8723 116.0297 57.7928 66.8089 173.2200 18 L 5.0097 8.8730 120.7390 54.5147 44.6706 174.0670 19 L 5.1558 8.9954 122.0446 53.2393 44.4873 175.0996 20 I 5.0388 8.7410 120.0450 59.4347 40.6362 174.5307 21 S 4.9516 9.0442 117.8472 56.5580 66.0577 172.5742 22 W 5.8619 7.8633 121.7038 54.5024 31.7002 173.5529 23 D 4.8484 8.7605 119.6813 53.0196 41.4656 176.8295 24 A 4.4719 8.5677 126.1596 51.1378 18.3765 175.5474 25 P 4.6042 0.0000 0.0000 62.0304 32.3819 177.1597 26 A 4.1083 8.4785 120.4703 54.1968 18.4675 178.0467 27 V 4.3607 6.7602 108.9537 59.6401 33.5883 175.9756 28 T 4.0290 8.2559 118.8983 63.5692 68.9750 174.2950 29 V 4.2130 8.0358 125.1144 60.9475 33.8079 175.9432 30 R 4.0801 8.6917 128.8832 59.1070 30.2589 175.5708 31 Y 5.0347 7.1533 114.3182 56.5733 41.5520 172.0475 32 Y 5.2007 9.5368 117.5703 56.4071 41.4434 175.1496 33 R 5.0498 8.9252 121.7344 54.8916 32.5213 175.1953 34 I 4.6466 8.4649 125.8007 59.6541 39.2470 174.8820 35 T 5.2578 8.9167 117.5527 60.2235 72.0052 172.5668 36 Y 5.7766 8.0854 120.4428 56.6631 41.8139 173.6943 37 G 4.5295 8.6788 106.6110 45.1320 0.0000 171.7763 38 E 4.2511 8.7754 120.6623 55.8018 30.5925 176.9723 39 T 4.0120 8.4966 123.1059 65.0937 68.8048 174.7338 40 G 3.8100 8.9982 113.9735 45.7177 0.0000 173.3013 41 G 3.9705 7.7519 109.1969 44.3829 0.0000 173.6611 42 N 4.9635 8.3970 112.8444 52.3438 37.8458 174.6984 43 S 4.5318 7.8621 114.4506 57.0982 64.0251 172.3079 44 P 4.3701 0.0000 0.0000 62.6606 31.6454 176.4232 45 V 3.7904 8.0290 119.6873 63.2964 32.3873 175.1529 46 Q 4.5132 8.5377 124.4340 54.7758 30.9699 174.3600 47 E 5.1932 8.3457 121.1825 55.0041 32.9271 173.9038 48 F 5.1863 8.6543 119.8563 55.9135 42.0851 173.0656 49 T 5.2383 8.7824 115.5996 62.0142 70.9308 174.1465 50 V 4.7271 8.7320 124.3398 60.3241 34.6525 173.1928 51 P 4.7439 0.0000 0.0000 62.8998 31.9975 177.6747 52 G 3.9859 9.3329 111.1627 47.2324 0.0000 174.4977 53 S 4.4257 8.1361 113.1510 59.2046 63.7951 174.1338 54 K 4.5940 7.9485 120.5678 55.1398 34.1370 176.0575 55 S 3.2437 7.8488 111.4647 57.5321 63.8941 173.1245 56 T 4.7396 6.8394 108.6674 60.7454 71.8996 172.5969 57 A 4.6853 8.6446 121.6879 51.5780 23.2328 175.3866 58 T 4.7749 8.5123 117.2369 62.4420 70.3145 174.2804 59 I 4.4149 8.6897 127.2343 59.5656 39.6258 175.0222 60 S 4.7603 8.1981 120.9357 56.4618 66.4655 173.7020 61 G 3.8578 8.6318 105.2133 46.7244 0.0000 173.8907 62 L 4.5164 7.7576 119.1137 53.4415 42.8785 176.2822 63 K 4.6914 8.8512 119.9913 54.1391 33.7535 175.3939 64 P 4.7911 0.0000 0.0000 63.0926 31.8641 176.2162 65 G 4.3342 8.2738 109.1385 45.9117 0.0000 173.4224 66 V 4.3542 7.6701 118.2897 60.4588 34.8483 173.7573 67 D 5.0836 8.4130 126.7867 54.0431 42.5363 174.3657 68 Y 5.2350 9.3587 123.5230 56.5931 41.8705 174.5519 69 T 5.0587 9.0542 119.5386 62.1224 70.9750 173.6603 70 I 5.1569 9.1492 127.1505 59.8514 40.8107 174.7415 71 T 4.9875 9.1322 122.8354 61.6439 72.8552 172.9456 72 V 4.6016 8.4332 124.9040 61.1730 34.4788 173.8236 73 Y 5.0517 8.9445 124.2546 56.0967 41.3780 174.2381 74 A 4.8375 8.6767 124.5121 50.2115 21.4462 176.0956 75 V 4.1744 8.1576 122.0717 61.1205 33.8827 175.1426 76 T 4.5627 8.3980 117.8148 59.7167 71.3369 173.9527 77 G 4.0651 8.3342 108.4962 46.1221 0.0000 174.5904 78 R 4.4259 8.9369 116.3404 54.7444 31.0097 174.2907 79 G 3.4038 7.5149 106.2895 44.1426 0.0000 172.2296 80 D 4.6993 8.1025 126.2794 52.3325 42.6498 175.8091 81 S 4.6155 7.8448 120.3331 58.2961 67.1185 175.5559 82 P 4.3915 0.0000 0.0000 65.0672 31.2498 176.2407 83 A 4.3567 7.4141 123.8489 52.7878 17.1002 176.7587 84 S 4.5550 6.8914 115.4599 58.5351 66.7129 174.8210 85 S 4.5331 7.5843 114.0879 57.1537 66.9265 175.6683 86 K 3.8590 8.8482 124.2301 56.8578 32.5116 174.9008 87 P 4.4009 0.0000 0.0000 62.3950 32.2632 175.4840 88 I 4.5017 8.0792 115.9819 59.3109 39.9765 174.7072 89 S 5.3259 8.5036 120.7680 57.0468 67.2639 172.9211 90 I 4.6783 8.8235 113.9207 59.9985 41.1784 173.0788 91 N 5.5933 8.7326 120.4325 51.8889 40.9893 173.7112 92 Y 4.8109 9.0768 123.7319 56.1115 42.7513 173.2943 93 R 5.0407 7.8258 127.0567 54.6053 31.8443 175.7620 94 T 4.3114 8.6745 117.6372 61.4222 70.1716 174.0970 95 E 4.4647 8.8205 122.2008 56.3275 31.5760 177.0036 96 I 4.0155 8.0869 119.6760 61.6275 37.3954 176.0803 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 *6 R 8.24 4.33 0.00 1.85 1.79 0.00 3.18 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 7 D 8.49 4.67 0.00 2.80 2.78 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 8 L 8.52 5.15 0.00 1.68 1.60 1.05 0.84 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 9 E 9.20 4.74 0.00 2.00 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 2.19 2.24 0.00 10 V 8.20 4.19 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.36 0.00 0.00 11 V 8.49 3.96 2.03 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 0.76 0.00 0.00 0.93 0.00 0.00 12 A 7.46 4.61 1.17 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 0.00 0.00 13 A 8.04 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.70 4.78 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 1.21 0.00 0.00 15 P 0.00 4.29 0.00 2.23 2.32 0.00 3.55 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 16 T 7.83 5.04 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 1.24 0.00 0.00 17 S 7.87 5.12 0.00 3.92 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 18 L 8.87 5.01 0.00 1.61 1.64 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.00 5.16 0.00 1.61 1.59 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.74 5.04 2.02 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 1.34 0.94 0.86 0.00 0.00 21 S 9.04 4.95 0.00 3.74 3.60 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 22 W 7.86 5.86 0.00 3.19 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 23 D 8.76 4.85 0.00 2.65 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 0.00 0.00 0.00 0.00 24 A 8.57 4.47 1.37 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 0.00 0.00 0.00 25 P 0.00 4.60 0.00 2.28 2.30 0.00 3.96 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 26 A 8.48 4.11 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 27 V 6.76 4.36 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 0.73 0.00 0.00 0.91 0.00 0.00 28 T 8.26 4.03 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 1.20 0.00 0.00 29 V 8.04 4.21 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 0.26 0.00 0.00 0.83 0.00 0.00 30 R 8.69 4.08 0.00 1.80 1.93 0.00 3.46 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 31 Y 7.15 5.03 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.54 5.20 0.00 2.98 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 33 R 8.93 5.05 0.00 1.87 1.97 0.00 3.12 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 34 I 8.46 4.65 0.57 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 0.79 0.38 0.62 0.00 0.00 35 T 8.92 5.26 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 1.23 0.00 0.00 36 Y 8.09 5.78 0.00 3.08 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 37 G 8.68 4.53 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 0.00 0.00 0.00 38 E 8.78 4.25 0.00 1.88 1.73 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 1.99 2.39 0.00 39 T 8.50 4.01 4.21 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 1.20 0.00 0.00 40 G 9.00 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 41 G 7.75 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 42 N 8.40 4.96 0.00 2.79 2.85 0.00 0.00 6.00 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 43 S 7.86 4.53 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.14 2.04 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 45 V 8.03 3.79 2.04 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 0.77 0.00 0.00 0.93 0.00 0.00 46 Q 8.54 4.51 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 47 E 8.35 5.19 0.00 1.85 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 2.17 2.42 0.00 48 F 8.65 5.19 0.00 3.22 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 49 T 8.78 5.24 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 50 V 8.73 4.73 2.51 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 1.34 0.00 0.00 1.40 0.00 0.00 51 P 0.00 4.74 0.00 2.24 2.07 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 52 G 9.33 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 53 S 8.14 4.43 0.00 4.03 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 54 K 7.95 4.59 0.00 1.89 1.73 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.57 7.81 55 S 7.85 3.24 0.00 3.07 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 56 T 6.84 4.74 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 1.00 0.00 0.00 57 A 8.64 4.69 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 58 T 8.51 4.77 4.15 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 0.00 0.00 0.00 1.18 0.00 0.00 59 I 8.69 4.41 1.62 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.05 0.00 0.00 60 S 8.20 4.76 0.00 3.77 3.76 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 61 G 8.63 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 62 L 7.76 4.52 0.00 1.63 1.57 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.85 4.69 0.00 1.87 1.80 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.50 7.81 64 P 0.00 4.79 0.00 2.07 2.01 0.00 3.93 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 65 G 8.27 4.33 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 0.00 66 V 7.67 4.35 2.22 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 0.37 0.00 0.00 0.93 0.00 0.00 67 D 8.41 5.08 0.00 2.78 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 0.00 0.00 0.00 0.00 68 Y 9.36 5.23 0.00 3.07 2.97 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 69 T 9.05 5.06 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 1.25 0.00 0.00 70 I 9.15 5.16 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.88 0.00 0.00 71 T 9.13 4.99 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 0.65 0.00 0.00 72 V 8.43 4.60 1.51 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 -0.03 0.00 0.00 0.14 0.00 0.00 73 Y 8.94 5.05 0.00 2.89 2.74 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 74 A 8.68 4.84 1.16 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 0.00 0.00 0.00 75 V 8.16 4.17 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 0.64 0.00 0.00 0.56 0.00 0.00 76 T 8.40 4.56 4.18 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 1.18 0.00 0.00 77 G 8.33 4.07 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 0.00 0.00 0.00 78 R 8.94 4.43 0.00 1.72 1.91 0.00 3.17 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 79 G 7.51 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 0.00 0.00 0.00 80 D 8.10 4.70 0.00 2.59 2.56 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 81 S 7.84 4.62 0.00 3.91 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 82 P 0.00 4.39 0.00 2.19 2.19 0.00 3.75 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 1.99 1.97 0.00 83 A 7.41 4.36 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 84 S 6.89 4.55 0.00 3.78 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 85 S 7.58 4.53 0.00 3.80 3.73 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 86 K 8.85 3.86 0.00 1.83 1.84 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.46 7.81 87 P 0.00 4.40 0.00 1.55 0.86 0.00 3.57 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 1.93 2.05 0.00 88 I 8.08 4.50 1.81 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 1.03 1.18 0.91 0.00 0.00 89 S 8.50 5.33 0.00 3.67 3.72 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 90 I 8.82 4.68 1.93 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 1.24 0.87 0.97 0.00 0.00 91 N 8.73 5.59 0.00 2.63 2.96 0.00 0.00 6.67 7.83 0.00 0.00 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 Y 9.08 4.81 0.00 3.05 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 93 R 7.83 5.04 0.00 1.71 1.54 0.00 3.21 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 94 T 8.67 4.31 4.50 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 1.43 0.00 0.00 95 E 8.82 4.46 0.00 2.08 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 0.00 2.46 2.37 0.00 96 I 8.09 4.02 1.87 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 1.28 0.57 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.