NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3784 8.1233 123.5860 51.9712 21.1708 178.9792 10 N 4.1502 8.2047 113.9679 56.1008 38.4183 175.5163 11 S 4.2008 8.8827 117.3459 61.9013 63.1955 176.5381 12 T 3.8822 7.8104 117.8784 66.5460 68.2945 176.8063 13 V 3.3995 7.7440 120.0575 66.0175 31.5809 178.0340 14 L 3.8225 8.2890 119.0775 57.8463 41.5431 179.5639 15 S 4.2140 8.4343 113.4441 61.1930 62.0999 175.9885 16 F 4.5249 7.8693 122.8856 61.5451 39.3507 176.6297 17 C 3.8734 8.0366 116.1439 62.0989 27.7192 175.6873 18 A 3.6348 7.9092 123.1880 55.0953 17.8230 178.3630 19 F 4.5308 7.1678 109.3971 57.6089 38.3023 176.2995 20 A 4.1879 7.4526 124.9832 51.6757 18.7118 179.3905 21 V 3.7635 8.2925 114.1514 63.6035 32.1349 176.6673 22 D 4.6381 7.4892 118.1908 50.6301 42.3107 173.4139 23 P 4.2212 0.0000 0.0000 65.4243 31.4159 178.0375 24 A 4.0022 8.0167 118.8928 54.9807 18.4256 179.4599 25 K 3.8881 8.3334 117.7796 59.4543 32.2629 178.9772 26 A 4.0407 7.9101 121.0094 55.1921 18.1966 178.9830 27 Y 4.2656 8.0701 118.0821 60.7211 38.8596 177.9740 28 K 3.7146 8.3454 120.8079 59.8869 32.3192 178.5068 29 D 4.3974 8.7120 119.2106 57.1601 40.5901 178.2115 30 Y 4.1200 8.1647 120.4968 60.6292 38.8378 177.8492 31 L 3.6211 8.0885 119.8619 57.3926 41.4422 179.0560 32 A 3.9094 7.7393 119.7870 55.4476 18.4717 179.6160 33 S 4.2048 7.6518 110.4549 59.7520 62.7829 175.4347 34 G 3.7889 8.1426 110.7305 45.0356 0.0000 174.2166 35 G 2.4184 7.1887 108.2646 44.5006 0.0000 173.8615 36 Q 4.2116 8.3563 122.4595 54.4937 29.9187 174.2497 37 P 4.6868 0.0000 0.0000 62.3721 32.0481 176.4446 38 I 3.8745 8.4976 123.3626 62.0550 37.4492 175.9068 39 T 4.6481 8.2673 115.9324 60.8801 71.1083 173.8200 40 N 4.3561 8.7795 117.3973 54.9077 35.5788 174.3707 41 C 4.4179 8.0399 114.7371 59.6599 29.2007 173.4008 42 V 4.3709 8.4001 116.5492 60.3996 32.8619 175.5087 43 K 4.5631 8.6494 124.1804 55.5034 33.7154 175.7986 44 M 4.4199 8.4588 123.3243 53.9011 33.7737 176.2965 45 L 4.2781 8.4285 125.1842 53.8038 41.5058 174.8531 46 C 4.9266 8.0300 119.7842 55.9845 32.2092 174.3393 47 T 4.0181 8.2772 108.3503 62.6353 68.9470 174.8989 48 H 4.0477 8.2200 118.7249 57.3403 26.0856 175.1691 49 T 4.4723 7.2968 103.9743 61.3310 68.9248 174.4738 50 G 3.9705 7.8106 112.7044 45.4367 0.0000 174.3969 51 T 3.8450 8.6799 109.3282 62.9232 68.6424 175.8466 52 G 3.9882 8.5390 109.7283 45.0971 0.0000 173.6909 53 Q 4.1708 7.4119 118.1835 55.5557 29.6495 176.3681 54 A 3.9463 8.7943 122.9872 54.6784 19.0417 177.6611 55 I 5.1400 7.4392 115.4371 59.8598 40.2128 174.7349 56 T 4.8267 9.1359 116.9065 59.8261 72.2331 175.4197 57 V 3.8929 8.6287 114.5140 63.1907 32.0086 176.2138 58 T 4.6662 7.5088 107.9578 58.4819 71.8902 171.6587 59 P 4.2204 0.0000 0.0000 63.1170 31.7529 176.4282 60 E 4.6420 9.5087 121.5785 55.6967 31.2646 175.4650 61 A 4.4303 7.7127 122.7629 52.5833 19.1494 178.2929 62 N 5.2882 8.7192 119.0431 50.6899 39.7837 175.4300 63 M 4.2940 8.5661 116.3828 57.7008 32.1500 176.7915 64 D 4.8010 8.9293 118.9203 54.1153 41.3110 175.1684 65 Q 5.2312 7.9796 117.6916 54.2963 33.4037 174.0339 66 E 4.7622 8.7331 117.8270 54.9200 33.8316 175.3544 67 S 5.3519 8.2846 118.2689 57.0594 65.6822 173.1459 68 F 5.3628 9.2187 121.8222 55.2476 42.8712 174.7185 69 G 3.9309 9.3600 110.0605 46.3609 0.0000 174.5654 70 G 3.8419 9.2378 112.7899 48.0297 0.0000 175.8008 71 A 4.0087 8.0513 123.3519 54.9388 18.0548 179.5927 72 S 4.1121 7.6191 111.5437 61.4701 63.3376 175.7623 73 C 4.4316 8.2466 117.5076 58.7025 28.4278 172.4945 74 C 4.6919 7.4083 123.0826 57.8246 32.2451 173.7234 75 L 3.6010 8.3870 128.8836 58.4611 41.5891 178.5592 76 Y 3.8888 7.1592 116.0084 61.0120 37.8154 177.9916 77 C 4.1470 7.9619 117.1940 62.9989 28.1792 176.2883 78 R 3.8627 8.1186 118.4098 58.5325 29.6694 177.8675 79 C 4.2192 7.6045 114.2058 58.7089 29.0562 172.8529 80 H 4.0004 7.7783 117.1710 57.0401 26.2504 173.7415 81 I 4.6469 7.5473 110.0988 58.4259 40.8546 174.8730 82 D 4.3676 8.3180 120.1631 54.6925 41.1194 176.3818 83 H 3.9117 8.1866 119.1787 54.5279 29.3699 172.6468 84 P 4.1782 0.0000 0.0000 63.2891 33.6047 180.7249 85 N 3.1400 7.2851 112.8933 52.0684 40.2291 175.3327 *89 F 4.4409 8.6701 126.9574 57.7619 42.0696 173.7249 90 C 4.5686 8.4106 118.4493 57.8623 34.4736 173.4787 91 D 4.6949 8.9198 125.5557 53.9792 39.5207 176.4469 92 L 4.4839 7.5973 120.1046 56.0387 43.4264 177.0458 93 K 3.9730 7.9464 118.8232 57.9897 32.3115 176.8156 94 G 3.8541 8.9180 113.8488 45.1575 0.0000 172.2729 95 K 4.5402 7.8275 119.2490 54.5458 36.0576 174.1238 96 Y 5.1248 8.7867 117.4471 56.6101 41.6081 175.1600 97 V 4.9750 8.8671 123.4162 61.4420 34.0500 174.1504 98 Q 5.1824 9.3506 127.5255 54.5947 30.3251 175.1110 99 I 4.1180 8.6200 124.4988 58.3421 40.7880 173.2803 100 P 4.4044 0.0000 0.0000 63.4300 31.9022 177.3098 101 T 3.9635 9.0705 121.6485 67.1244 68.6101 176.3506 102 T 4.0644 7.9071 109.3543 63.7533 69.2256 174.3433 103 C 4.7033 8.3604 118.6072 59.2598 29.2849 175.0099 104 A 4.1740 7.6856 122.0752 53.4962 17.8108 178.2402 105 N 4.6693 7.9192 112.3783 53.5536 38.5283 175.3735 106 D 4.7773 7.8398 118.3761 51.7604 41.9484 173.5700 107 P 4.0404 0.0000 0.0000 65.2558 31.2736 178.5299 108 V 4.2235 7.1019 118.0572 65.6357 31.5429 178.3029 109 G 3.7093 8.6685 106.6998 47.0396 0.0000 175.4353 110 F 3.7807 8.4358 123.4081 61.2842 39.1652 177.1868 111 T 3.8801 7.5472 107.7845 64.0475 68.8478 176.3879 112 L 4.2091 7.1903 121.3545 57.1621 41.8408 178.4694 113 R 4.2740 7.6909 115.5894 55.7196 30.6147 175.5419 114 N 4.9819 6.9082 115.2605 51.3638 41.8322 173.5222 115 T 4.9385 8.2804 114.6450 61.9407 72.3508 173.5674 116 V 3.9834 8.4583 125.9229 62.0667 32.7064 175.1122 117 C 4.4030 9.2630 129.6923 59.5727 31.8827 174.7472 118 T 3.9217 8.6743 116.3415 64.4559 68.9011 176.0414 119 V 3.7290 7.8079 121.5030 65.4095 30.7126 176.3666 120 C 4.3267 8.0202 112.5308 57.5518 30.5976 174.9547 121 G 3.6811 8.3602 109.1924 46.1039 0.0000 172.9525 122 M 4.7863 7.0483 119.1185 52.4272 34.7704 175.4909 123 W 4.8808 8.4985 120.6281 56.6610 29.7736 176.2162 124 K 4.3511 9.4283 124.2483 58.0066 31.7484 177.6303 125 G 3.9074 10.0279 112.7557 45.6745 0.0000 173.0087 126 Y 4.7982 8.3725 116.1019 55.1074 38.9359 173.2336 127 G 3.7772 8.6637 113.9023 45.9975 0.0000 173.0396 128 C 4.0161 8.2400 120.2115 60.8211 32.0726 173.3882 129 S 4.0720 8.7991 121.2252 59.2045 62.6795 171.8780 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 9 A 8.12 4.38 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 10 N 8.20 4.15 0.00 2.82 2.84 0.00 0.00 7.16 6.68 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 11 S 8.88 4.20 0.00 3.87 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 12 T 7.81 3.88 4.45 0.00 0.00 0.00 0.00 0.00 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 13 V 7.74 3.40 1.90 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 0.35 0.00 0.00 0.80 0.00 0.00 14 L 8.29 3.82 0.00 1.66 1.58 0.88 0.54 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 15 S 8.43 4.21 0.00 4.02 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 16 F 7.87 4.52 0.00 2.97 3.25 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 17 C 8.04 3.87 0.00 2.80 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 18 A 7.91 3.63 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 19 F 7.17 4.53 0.00 3.13 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 20 A 7.45 4.19 1.04 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 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.29 3.76 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.49 4.64 0.00 2.78 2.49 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 23 P 0.00 4.22 0.00 2.10 1.98 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 24 A 8.02 4.00 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 25 K 8.33 3.89 0.00 2.00 1.96 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.65 1.47 7.81 26 A 7.91 4.04 1.02 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 27 Y 8.07 4.27 0.00 2.93 3.09 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 0.00 0.00 0.00 28 K 8.35 3.71 0.00 1.93 2.01 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 D 8.71 4.40 0.00 2.82 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 30 Y 8.16 4.12 0.00 3.33 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 31 L 8.09 3.62 0.00 1.64 1.50 0.52 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.74 3.91 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 33 S 7.65 4.20 0.00 3.86 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 34 G 8.14 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 0.00 0.00 0.00 35 G 7.19 2.42 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 36 Q 8.36 4.21 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 37 P 0.00 4.69 0.00 2.26 2.26 0.00 3.80 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 2.06 2.15 0.00 38 I 8.50 3.87 1.73 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.36 0.78 0.00 0.00 39 T 8.27 4.65 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 1.27 0.00 0.00 40 N 8.78 4.36 0.00 2.91 3.01 0.00 0.00 6.83 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 41 C 8.04 4.42 0.00 2.87 2.75 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 42 V 8.40 4.37 2.15 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 0.79 0.00 0.00 1.05 0.00 0.00 43 K 8.65 4.56 0.00 1.54 1.52 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.42 1.32 7.81 44 M 8.46 4.42 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.73 0.00 45 L 8.43 4.28 0.00 1.55 1.58 0.90 0.85 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 46 C 8.03 4.93 0.00 2.95 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 47 T 8.28 4.02 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 1.19 0.00 0.00 48 H 8.22 4.05 0.00 3.35 3.52 0.00 5.55 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.30 4.47 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 1.27 0.00 0.00 50 G 7.81 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 51 T 8.68 3.84 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 1.25 0.00 0.00 52 G 8.54 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 Q 7.41 4.17 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 54 A 8.79 3.95 -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 55 I 7.44 5.14 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.45 0.95 0.00 0.00 56 T 9.14 4.83 4.29 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 1.22 0.00 0.00 57 V 8.63 3.89 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 0.77 0.00 0.00 0.96 0.00 0.00 58 T 7.51 4.67 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 1.21 0.00 0.00 59 P 0.00 4.22 0.00 1.82 1.79 0.00 3.23 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.98 0.00 60 E 9.51 4.64 0.00 1.93 1.86 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 2.43 2.37 0.00 61 A 7.71 4.43 1.06 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 0.00 0.00 62 N 8.72 5.29 0.00 2.98 3.01 0.00 0.00 6.88 7.25 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 63 M 8.57 4.29 0.00 2.04 2.18 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 2.61 2.69 0.00 64 D 8.93 4.80 0.00 2.86 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 65 Q 7.98 5.23 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 66 E 8.73 4.76 0.00 1.79 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 2.22 2.42 0.00 67 S 8.28 5.35 0.00 3.64 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 68 F 9.22 5.36 0.00 3.06 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 69 G 9.36 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 70 G 9.24 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 71 A 8.05 4.01 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 72 S 7.62 4.11 0.00 4.16 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 73 C 8.25 4.43 0.00 3.09 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 74 C 7.41 4.69 0.00 3.03 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 75 L 8.39 3.60 0.00 1.36 0.85 0.36 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.16 3.89 0.00 2.64 2.80 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 77 C 7.96 4.15 0.00 3.21 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 78 R 8.12 3.86 0.00 1.65 1.83 0.00 3.22 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 79 C 7.60 4.22 0.00 2.78 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 80 H 7.78 4.00 0.00 3.26 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.55 4.65 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.77 0.00 0.00 82 D 8.32 4.37 0.00 2.59 2.53 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 83 H 8.19 3.91 0.00 2.82 2.89 0.00 5.88 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.18 0.00 1.99 1.79 0.00 2.81 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.00 85 N 7.29 3.14 0.00 2.73 2.90 0.00 0.00 6.79 7.45 0.00 0.00 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 F 8.67 4.44 0.00 2.90 2.84 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 90 C 8.41 4.57 0.00 2.47 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 91 D 8.92 4.69 0.00 2.84 2.77 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 92 L 7.60 4.48 0.00 1.87 1.77 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.95 3.97 0.00 1.76 1.78 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.47 7.81 94 G 8.92 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 0.00 0.00 0.00 95 K 7.83 4.54 0.00 1.79 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 96 Y 8.79 5.12 0.00 2.98 2.88 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 97 V 8.87 4.98 2.32 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 1.48 0.00 0.00 1.07 0.00 0.00 98 Q 9.35 5.18 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.36 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 99 I 8.62 4.12 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.94 0.00 0.00 0.00 100 P 0.00 4.40 0.00 1.80 2.05 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.11 0.00 101 T 9.07 3.96 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 1.22 0.00 0.00 102 T 7.91 4.06 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 0.00 103 C 8.36 4.70 0.00 2.40 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 0.00 104 A 7.69 4.17 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 0.00 105 N 7.92 4.67 0.00 2.84 2.96 0.00 0.00 5.81 8.06 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 0.00 106 D 7.84 4.78 0.00 2.79 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 0.00 107 P 0.00 4.04 0.00 1.68 1.21 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.46 0.00 108 V 7.10 4.22 1.91 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 0.97 0.00 0.00 0.74 0.00 0.00 109 G 8.67 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 0.00 110 F 8.44 3.78 0.00 3.09 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 0.00 111 T 7.55 3.88 4.55 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 1.54 0.00 0.00 112 L 7.19 4.21 0.00 1.70 1.80 1.00 0.90 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 0.00 113 R 7.69 4.27 0.00 1.56 1.84 0.00 3.03 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 114 N 6.91 4.98 0.00 1.44 2.30 0.00 0.00 6.73 7.82 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 0.00 115 T 8.28 4.94 4.37 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 1.28 0.00 0.00 116 V 8.46 3.98 1.91 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 0.47 0.00 0.00 0.15 0.00 0.00 117 C 9.26 4.40 0.00 3.05 2.88 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 0.00 118 T 8.67 3.92 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 1.21 0.00 0.00 119 V 7.81 3.73 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 0.93 0.00 0.00 120 C 8.02 4.33 0.00 3.14 3.15 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 0.00 121 G 8.36 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 0.00 122 M 7.05 4.79 0.00 2.31 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 123 W 8.50 4.88 0.00 3.85 3.33 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 0.00 124 K 9.43 4.35 0.00 2.05 1.88 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.51 7.81 125 G 10.03 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 0.00 126 Y 8.37 4.80 0.00 3.21 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 0.00 127 G 8.66 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 0.00 128 C 8.24 4.02 0.00 3.11 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 0.00 129 S 8.80 4.07 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.