NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2787 8.3044 120.3496 54.8824 33.2612 174.4832 2 E 3.8303 8.8456 127.0775 56.1131 29.4854 174.1703 3 K 5.4165 9.0287 126.2422 53.4882 36.7347 175.5988 4 K 4.6601 8.5643 122.8017 55.2427 35.2111 174.9384 5 H 4.9851 9.2422 120.9440 54.3894 30.9023 174.0251 6 I 4.7109 8.7381 125.7904 59.9091 39.2675 173.9729 7 Y 5.5586 8.5798 125.1710 56.2611 40.3391 174.9923 8 L 5.3401 8.9256 124.6191 53.2473 44.3227 175.6636 9 F 5.9369 9.1983 121.1367 55.1575 42.8267 176.1037 *11 S 5.0094 9.0445 116.2612 58.4268 64.5521 174.8756 12 A 4.4391 8.2752 120.0704 51.7305 20.3105 177.5880 13 G 4.0151 8.5997 102.5130 45.3997 0.0000 173.5542 14 M 4.3358 7.8650 116.5964 56.7330 32.7244 178.6138 15 S 4.1891 8.0770 114.7155 61.2566 63.4048 176.1219 16 T 3.9920 8.0213 110.8345 64.0813 68.3174 176.2215 17 S 4.0230 7.7333 118.0459 61.6017 62.6724 176.4040 18 L 3.8886 7.7385 123.3080 57.5417 41.9301 178.3834 19 L 3.8104 7.6913 119.8365 58.0573 42.0356 178.8135 20 V 3.5137 7.8102 118.1189 66.1281 31.3839 177.6916 21 S 4.0488 8.4018 113.0613 61.5342 62.1845 176.4295 22 K 3.9473 8.2270 121.0722 59.6578 31.7108 179.2388 23 M 4.0835 8.4593 119.3868 58.4452 31.7908 179.0538 24 R 3.8759 8.4730 118.2298 59.3269 30.3795 179.0122 25 A 3.9284 8.1809 120.6487 55.2558 18.2302 179.6441 26 Q 3.7794 8.3060 116.2678 58.6070 28.8902 178.4748 27 A 4.0504 8.3814 122.3984 55.0128 18.4570 179.6432 28 E 3.8458 8.4560 117.5353 59.4360 29.3747 179.3559 29 K 3.7927 7.5429 118.1417 58.8903 32.1524 177.5897 30 Y 4.7469 7.4349 115.0237 57.5372 39.8985 176.2839 31 E 3.5778 7.5480 115.1332 56.9722 28.8822 176.4337 32 V 4.1486 8.1843 120.6001 61.5884 32.9250 175.2053 33 P 4.6769 0.0000 0.0000 62.2466 30.4818 175.0826 34 V 4.8808 7.8567 119.0439 60.2666 36.3349 174.4106 35 I 4.4015 8.7084 124.8777 59.8764 39.0781 174.7712 36 I 5.4292 8.3485 128.0105 58.7981 39.2860 175.0208 37 E 4.6675 8.9084 125.2796 54.4252 34.1429 174.1538 38 A 5.0071 8.0287 123.6836 50.2682 21.5649 175.8974 39 F 5.0019 8.6859 119.6512 54.7630 44.0034 172.9721 40 P 4.8026 0.0000 0.0000 62.3074 32.2695 177.3058 41 E 4.1544 8.9953 118.1139 59.5208 29.6399 179.2124 42 T 3.8466 8.1138 108.9811 64.3666 68.7865 175.0678 43 L 4.5166 8.1018 120.2618 54.4742 41.7119 178.1510 44 A 3.0784 7.9109 124.6819 55.0574 18.0625 180.5444 45 G 3.4244 7.8428 103.7667 47.7075 0.0000 175.2012 46 E 3.8734 7.9260 121.5682 58.5808 30.1562 178.6488 47 K 4.2733 8.3100 118.1551 58.4296 32.4837 179.3691 48 G 3.8052 7.9880 105.6885 47.6622 0.0000 175.5977 49 Q 4.1096 7.7949 119.3065 58.1969 28.7375 177.0499 50 N 4.7566 8.0410 114.1335 52.6648 39.3103 174.7405 51 A 3.9048 7.7147 122.2232 51.9109 19.2641 177.5996 52 D 4.7748 8.3757 121.5354 56.0708 42.2236 177.5709 53 V 4.6964 7.5077 116.4993 60.0542 35.2923 174.0500 54 V 5.0141 8.7780 123.3724 61.4130 33.5836 174.1293 55 L 5.3416 9.2152 128.1719 53.0375 44.5009 175.3804 56 L 5.2950 8.7798 123.4133 52.5515 44.7915 176.2924 57 G 3.9379 8.8515 110.7917 45.5135 0.0000 172.9907 58 P 4.3188 0.0000 0.0000 65.4030 31.4216 178.5252 59 Q 4.0860 8.0112 116.3543 58.1477 28.7765 176.8361 60 I 4.4243 7.8855 111.7161 60.2523 38.1390 177.5666 61 A 4.0287 8.0151 127.6637 55.9851 18.3372 180.4577 62 Y 4.2159 8.1986 112.9364 59.9112 38.1907 176.8205 63 M 4.0100 7.1982 119.0854 55.3390 32.7720 177.5374 64 L 3.8541 7.9059 122.1971 58.0137 42.1446 176.9779 65 P 4.2897 0.0000 0.0000 65.7048 31.2369 178.1322 66 E 3.9526 7.8649 117.4436 59.1101 29.6490 178.6021 67 I 3.7192 8.0076 120.2636 63.9680 37.2299 178.0024 68 Q 3.9198 8.5387 121.0359 59.1109 28.5989 178.4150 69 R 3.9604 7.7680 118.6796 59.4436 30.2069 178.1971 70 L 4.1734 7.5762 117.4333 56.4627 43.1128 177.7113 71 L 4.7513 8.0381 118.6430 52.4505 41.4908 175.2989 72 P 4.5652 0.0000 0.0000 63.4795 32.2189 177.6190 73 N 4.8709 8.0204 114.8980 52.7882 39.3543 174.1738 74 K 4.5717 7.5308 118.5267 53.3866 35.0153 174.0014 75 P 4.3840 0.0000 0.0000 62.9133 32.4181 175.2097 76 V 4.8435 8.4514 124.8649 61.0767 33.4847 174.2498 77 E 4.8620 9.2155 127.0334 54.5293 33.8400 175.0242 78 V 4.5830 8.2253 121.4125 61.6413 33.1592 175.5039 79 I 4.0606 8.6155 129.2680 60.7495 37.8926 175.7019 80 D 4.3562 8.9001 126.5606 54.4591 41.9036 176.4102 81 S 4.1050 9.1099 120.9341 61.8008 62.1716 176.3403 82 L 3.9854 8.0094 122.0725 58.1700 42.0014 178.5915 83 L 4.0137 8.3859 119.0140 57.9404 41.6460 179.0091 84 Y 4.0824 8.3800 119.6047 60.7154 38.5842 178.1409 85 G 3.7250 8.3819 105.7787 47.5509 0.0000 175.0346 86 K 4.0904 8.3129 120.2453 56.0688 33.7010 176.6021 87 V 3.0520 6.9491 116.7095 63.7488 29.8759 173.8565 88 D 4.7950 8.1621 120.0424 52.2973 41.3512 175.5476 89 G 3.6837 8.3811 113.6600 47.5492 0.0000 172.6432 90 L 4.1041 7.9733 122.4328 57.6695 42.2668 178.8618 91 G 3.7141 8.5150 105.8652 48.0924 0.0000 175.8146 92 V 3.6709 7.6273 120.9580 65.3021 31.4937 177.8064 93 L 3.9568 8.2467 120.4529 58.1863 41.8717 179.1519 94 K 3.9536 8.4839 118.5847 59.4202 31.8918 179.2454 95 A 3.9846 8.2161 120.8807 54.9064 18.2814 179.6027 96 A 3.9225 8.2896 119.5733 55.4099 18.5207 180.1034 97 V 3.5432 8.0419 116.7027 65.9838 31.5280 178.0755 98 A 3.9801 8.4074 120.7619 55.1223 17.7757 179.5250 99 A 3.9452 8.3122 119.4946 55.1367 18.3435 179.8657 100 I 3.5291 7.8639 118.3581 64.7065 37.2695 178.9354 101 K 4.0312 8.2266 119.0259 58.7518 31.5389 178.3023 102 K 4.3298 7.9003 117.9135 56.2613 32.0315 176.0233 103 A 4.4996 7.1501 118.9234 53.8749 20.6770 178.5374 104 A 4.0695 8.2417 117.0205 54.8789 18.7216 176.6635 105 A 4.3261 7.9156 116.0226 52.7068 22.3339 176.0446 106 N 4.6665 8.8345 113.7896 54.0851 38.2776 174.4880 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 M 8.30 4.28 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 E 8.85 3.83 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 3 K 9.03 5.42 0.00 1.57 1.56 0.00 1.81 0.00 0.00 2.34 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.26 7.81 4 K 8.56 4.66 0.00 1.71 1.66 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.49 7.81 5 H 9.24 4.99 0.00 2.84 2.30 0.00 5.56 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.74 4.71 1.90 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 1.23 1.21 0.96 0.00 0.00 7 Y 8.58 5.56 0.00 3.14 2.71 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 0.00 0.00 0.00 0.00 8 L 8.93 5.34 0.00 1.59 1.60 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.20 5.94 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 S 9.04 5.01 0.00 3.93 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 12 A 8.28 4.44 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 13 G 8.60 4.02 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 0.00 14 M 7.87 4.34 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 15 S 8.08 4.19 0.00 4.00 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 16 T 8.02 3.99 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 1.40 0.00 0.00 17 S 7.73 4.02 0.00 3.95 4.20 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 18 L 7.74 3.89 0.00 1.72 1.61 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.69 3.81 0.00 1.52 1.69 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.81 3.51 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 0.82 0.00 0.00 0.95 0.00 0.00 21 S 8.40 4.05 0.00 3.90 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 22 K 8.23 3.95 0.00 1.95 1.82 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.64 7.81 23 M 8.46 4.08 0.00 2.03 2.25 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 2.76 2.79 0.00 24 R 8.47 3.88 0.00 1.98 1.95 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 25 A 8.18 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 26 Q 8.31 3.78 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 27 A 8.38 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.85 0.00 2.10 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 2.49 2.42 0.00 29 K 7.54 3.79 0.00 1.57 1.14 0.00 1.49 0.00 0.00 1.06 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.88 1.21 7.81 30 Y 7.43 4.75 0.00 3.03 2.89 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 31 E 7.55 3.58 0.00 2.19 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 0.00 2.29 2.27 0.00 32 V 8.18 4.15 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 0.91 0.00 0.00 1.03 0.00 0.00 33 P 0.00 4.68 0.00 2.34 2.20 0.00 3.70 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 34 V 7.86 4.88 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 0.72 0.00 0.00 1.02 0.00 0.00 35 I 8.71 4.40 1.86 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 1.25 0.77 1.09 0.00 0.00 36 I 8.35 5.43 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 1.38 1.56 0.94 0.00 0.00 37 E 8.91 4.67 0.00 1.81 1.12 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 2.17 2.35 0.00 38 A 8.03 5.01 1.08 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 0.00 0.00 39 F 8.69 5.00 0.00 2.03 2.65 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 40 P 0.00 4.80 0.00 2.31 2.34 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 41 E 9.00 4.15 0.00 2.13 2.34 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 2.37 2.25 0.00 42 T 8.11 3.85 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 43 L 8.10 4.52 0.00 1.95 1.62 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.91 3.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.84 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 3.87 0.00 1.93 1.93 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 2.24 2.38 0.00 47 K 8.31 4.27 0.00 1.76 1.38 0.00 1.43 0.00 0.00 1.35 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 1.04 7.81 48 G 7.99 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 49 Q 7.79 4.11 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 50 N 8.04 4.76 0.00 2.80 2.80 0.00 0.00 7.02 6.84 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 51 A 7.71 3.90 1.36 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 0.00 0.00 0.00 52 D 8.38 4.77 0.00 2.67 2.71 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 0.00 0.00 0.00 0.00 53 V 7.51 4.70 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 0.84 0.00 0.00 1.00 0.00 0.00 54 V 8.78 5.01 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 1.22 0.00 0.00 1.03 0.00 0.00 55 L 9.22 5.34 0.00 1.72 1.63 0.99 0.73 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 56 L 8.78 5.29 0.00 1.59 1.56 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.32 0.00 2.12 2.24 0.00 2.90 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 1.60 1.65 0.00 59 Q 8.01 4.09 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.52 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 60 I 7.89 4.42 1.72 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 1.25 0.94 0.95 0.00 0.00 61 A 8.02 4.03 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 62 Y 8.20 4.22 0.00 3.11 3.08 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 63 M 7.20 4.01 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 2.06 0.00 64 L 7.91 3.85 0.00 1.72 1.77 0.94 0.82 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 65 P 0.00 4.29 0.00 2.18 2.09 0.00 3.83 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 2.13 2.15 0.00 66 E 7.86 3.95 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 67 I 8.01 3.72 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.47 0.74 0.00 0.00 68 Q 8.54 3.92 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 69 R 7.77 3.96 0.00 1.95 2.10 0.00 3.45 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 70 L 7.58 4.17 0.00 1.72 1.63 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.04 4.75 0.00 1.64 1.52 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.57 0.00 2.16 2.15 0.00 3.31 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 73 N 8.02 4.87 0.00 2.70 2.85 0.00 0.00 6.74 7.60 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 74 K 7.53 4.57 0.00 1.63 1.68 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.46 7.81 75 P 0.00 4.38 0.00 2.12 2.21 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.96 0.00 76 V 8.45 4.84 2.06 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 0.91 0.00 0.00 1.00 0.00 0.00 77 E 9.22 4.86 0.00 1.90 1.79 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 2.22 2.38 0.00 78 V 8.23 4.58 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 0.90 0.00 0.00 0.93 0.00 0.00 79 I 8.62 4.06 1.98 0.00 0.00 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 1.22 0.79 1.11 0.00 0.00 80 D 8.90 4.36 0.00 2.78 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 81 S 9.11 4.10 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.01 3.99 0.00 1.82 1.91 0.94 0.66 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 83 L 8.39 4.01 0.00 1.98 1.76 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.38 4.08 0.00 3.14 3.06 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 85 G 8.38 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 0.00 0.00 0.00 86 K 8.31 4.09 0.00 1.95 1.98 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 87 V 6.95 3.05 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 0.70 0.00 0.00 0.84 0.00 0.00 88 D 8.16 4.79 0.00 2.76 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 89 G 8.38 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 0.00 0.00 0.00 90 L 7.97 4.10 0.00 1.86 1.71 0.94 1.00 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 91 G 8.52 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.63 3.67 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 1.07 0.00 0.00 1.05 0.00 0.00 93 L 8.25 3.96 0.00 1.95 1.86 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.48 3.95 0.00 2.07 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.55 7.81 95 A 8.22 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 3.92 1.43 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 0.00 0.00 97 V 8.04 3.54 2.29 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 0.95 0.00 0.00 0.98 0.00 0.00 98 A 8.41 3.98 1.43 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 0.00 0.00 99 A 8.31 3.95 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 0.00 100 I 7.86 3.53 2.05 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 1.51 0.88 0.90 0.00 0.00 101 K 8.23 4.03 0.00 2.01 2.09 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.44 7.81 102 K 7.90 4.33 0.00 1.88 1.90 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 103 A 7.15 4.50 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 0.00 104 A 8.24 4.07 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 0.00 105 A 7.92 4.33 1.22 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 0.00 0.00 106 N 8.83 4.67 0.00 2.91 2.89 0.00 0.00 6.62 7.56 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 * Residues marked with a * may have inaccurate shift predictions.