NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 F 4.7219 8.3249 122.8200 58.3805 40.3431 174.4796 -1 Q 4.0883 7.6863 126.3468 55.4007 29.8046 172.7664 0 G 3.6291 6.2721 103.9010 43.2518 0.0000 173.4676 1 M 4.3098 8.4372 117.0664 55.5993 31.8650 176.3184 2 T 3.9713 8.5248 115.8986 63.5545 69.8680 173.0931 3 E 4.8827 8.4014 126.7370 54.9832 31.4523 174.4081 4 Y 5.0082 9.1479 124.3169 56.2114 41.2976 174.7773 5 K 4.9152 9.4763 124.8173 55.3799 33.6125 175.4955 6 L 5.0692 9.2060 126.1993 52.7317 44.6680 175.8849 7 V 4.7476 8.4184 123.2579 61.0152 34.6237 174.1816 8 V 4.7696 8.7934 128.1101 61.5177 33.1751 174.8318 9 V 4.9240 9.0070 120.5679 58.3645 36.1322 175.1623 10 G 3.7869 8.4671 106.9568 43.2398 0.0000 173.1333 11 A 4.3714 7.5737 122.2320 51.0332 18.9181 177.3698 12 G 3.7382 8.5145 109.6174 47.1733 0.0000 174.3520 13 G 3.9895 8.9688 111.7791 45.4669 0.0000 174.6537 14 V 3.7438 7.2734 112.5052 62.5791 31.9288 177.0070 15 G 4.2795 8.4604 109.3756 45.6396 0.0000 176.0391 16 K 3.8764 8.6203 120.2670 59.4261 32.0622 178.8879 17 S 4.2503 8.2586 115.5985 61.1145 62.8827 176.3927 18 A 3.9960 7.9884 122.8759 55.2015 18.2133 179.5745 19 L 3.9934 8.1466 117.4328 58.2968 41.7632 179.9246 20 T 3.7864 7.7554 115.2102 66.6334 68.3832 177.0052 21 I 3.4678 7.9956 122.1837 64.2090 36.9477 178.2245 22 Q 4.2026 8.0138 120.4939 59.0658 28.6206 178.2463 23 L 3.8411 7.3327 120.0302 58.1333 42.1828 178.7225 24 I 3.8916 7.4736 118.4572 63.5613 37.3233 176.9010 25 Q 4.4851 8.3426 115.1889 54.7059 30.0096 175.1940 26 N 4.6289 7.9831 113.4664 53.5038 36.7430 173.3521 27 H 4.8402 8.1888 115.9504 54.1420 32.4237 172.1616 28 F 4.5077 8.6549 129.0558 57.1159 39.4905 175.1121 29 V 3.7017 7.6683 122.4416 60.2643 31.6376 175.5912 30 D 4.0202 8.2002 124.8067 54.7002 41.7666 176.0167 31 E 4.2555 7.7533 114.0295 57.7024 31.4288 175.4397 *38 D 4.4537 7.7095 119.1787 53.1456 42.5610 174.0100 39 S 5.3620 8.5016 117.6190 56.8015 65.4994 172.8993 40 Y 4.8814 9.1138 119.5904 56.3466 42.2235 174.5531 41 R 5.7183 8.4653 118.4822 53.6083 34.3591 174.8286 42 K 4.5702 8.4254 122.7960 55.1281 36.0261 174.0317 43 Q 5.0098 8.7117 128.5844 55.1910 30.1903 174.8549 44 V 4.5928 8.6708 118.5641 59.6768 36.7970 174.3804 45 V 4.6615 8.2567 122.0163 61.3829 33.0152 174.9721 46 I 4.1586 8.2824 128.9888 60.4308 39.1806 175.5298 47 D 4.4399 9.8485 125.6785 55.3413 38.2478 174.9080 48 G 3.8590 8.5354 105.7056 45.1847 0.0000 173.5569 49 E 4.5540 7.9314 120.4847 54.4930 31.2239 175.4485 50 T 4.5521 8.5571 120.8803 62.3238 68.1711 173.0586 51 C 5.1140 9.5445 122.8468 56.6349 34.2163 172.4585 52 L 4.9861 9.2741 122.9456 53.6605 43.6339 175.0331 53 L 4.9952 9.0729 127.9720 53.7359 43.5090 175.2066 54 D 5.2676 9.3371 125.2629 52.7949 43.1331 175.0020 55 I 4.9197 9.0053 128.4954 59.5704 39.6935 174.8064 56 L 4.7266 9.1915 131.3011 53.9033 42.9686 174.7610 57 D 5.0741 9.1841 128.4560 53.2957 42.2299 175.9078 58 T 4.3116 8.3034 116.0392 60.3910 71.3873 175.9213 59 A 3.9926 8.5214 123.9905 54.8742 19.4959 178.4984 *69 D 4.4044 8.0439 116.8116 55.0394 43.3531 178.8292 70 Q 4.1145 7.9424 117.3166 58.0818 28.3466 180.8936 71 Y 4.6811 7.6470 115.5150 58.2444 38.6744 177.1815 72 M 4.3542 6.9092 118.7360 58.3922 32.2850 177.4958 73 R 4.1770 7.7156 117.9117 58.5537 30.4718 177.6924 74 T 4.3725 7.8846 108.9283 62.3695 69.5463 175.1135 75 G 3.6259 7.5297 111.0778 45.5567 0.0000 173.1432 76 E 4.4371 8.9025 123.3302 57.7947 30.7364 176.7041 77 G 4.3514 7.3802 104.4484 44.9054 0.0000 171.9447 78 F 5.4072 9.0319 119.4685 55.4151 43.1657 174.0320 79 L 4.7230 9.1099 124.5670 54.2117 43.0509 175.5972 80 C 4.8188 9.0943 123.1075 58.3912 29.8639 172.8333 81 V 4.9566 8.6227 125.3281 60.9778 33.4685 174.6003 82 F 5.2870 9.3232 121.7925 55.0895 42.2492 173.0773 83 A 5.1405 8.6306 120.8554 50.0401 20.4885 178.3537 84 I 3.9875 9.1221 117.0794 62.8016 37.8635 177.0894 85 N 5.0134 8.1368 117.1684 52.4371 37.7308 174.5444 86 N 4.9205 8.2073 118.6095 51.2554 39.6200 174.5012 87 T 3.9926 8.4358 121.4530 66.1720 68.7301 175.6292 88 K 4.0295 7.9809 120.6749 59.5858 31.9908 179.0355 89 S 4.3491 8.1807 113.2620 61.1988 63.4238 175.9814 90 F 4.0100 8.2613 123.9286 61.2005 39.0154 176.8293 91 E 3.9124 8.1215 116.4911 58.7977 29.5239 178.3599 92 D 4.6254 7.9238 118.0827 56.0887 41.0859 178.4001 93 I 3.9771 7.5743 120.9855 64.8289 37.1257 177.8635 94 H 4.6283 8.0568 116.4521 58.2432 28.3668 177.3292 95 H 4.0576 7.7020 119.3971 58.7145 28.5303 177.2783 96 Y 3.9263 7.6634 118.0585 60.9832 37.8455 178.2216 97 R 3.8230 8.0032 119.5565 59.5735 30.1356 178.4116 98 E 3.8640 8.1485 118.2539 59.1405 29.2964 178.9092 99 Q 3.8581 7.8987 119.6496 59.3274 29.0787 178.5519 100 I 3.3762 7.6319 120.4933 64.4579 37.2410 178.7650 101 K 4.1029 7.9196 120.2710 58.4869 31.5147 179.6377 102 R 3.8723 7.7226 118.6583 59.7501 30.0408 178.1969 103 V 3.6032 7.5211 118.0201 65.6781 31.3025 177.8185 104 K 3.8164 8.0789 119.8009 57.6933 32.0442 177.4234 105 D 4.5681 7.6230 115.9512 54.4344 39.9101 173.0194 106 S 4.7339 7.5266 109.9543 56.2722 65.3706 173.7932 107 E 4.5459 8.6970 123.3936 56.0689 30.1140 175.7454 108 D 4.8364 8.6248 117.3407 52.5359 40.8745 173.2987 109 V 4.3132 7.4844 119.5030 59.4428 34.1338 173.3206 110 P 4.4640 0.0000 0.0000 63.6348 32.0809 175.1448 111 M 5.3632 8.3840 121.7626 54.4776 36.3298 174.2049 112 V 4.6471 8.6277 120.7092 61.1490 35.6393 173.8575 113 L 5.0016 9.3025 130.1789 54.3312 43.7623 175.1839 114 V 4.5154 9.2382 126.8577 61.1531 34.3566 174.5078 115 G 3.3851 8.6422 116.5439 44.5692 0.0000 172.4855 116 N 5.0180 8.8584 126.8238 51.4106 41.4849 174.3573 117 K 4.1934 8.4997 117.3509 57.5835 29.1793 177.8105 118 C 4.3309 7.9761 114.7765 60.2010 29.7822 174.4280 119 D 4.4081 7.8568 119.6229 55.6276 39.4734 176.7602 120 L 4.2465 7.5739 120.3145 53.8379 42.1387 174.5482 121 P 4.5927 0.0000 0.0000 63.0160 31.4027 176.1423 122 S 3.7542 8.3820 111.4150 59.9077 60.3535 172.3058 123 R 4.0245 8.1106 119.3658 57.2271 30.0315 176.0887 124 T 4.4910 8.7264 112.0777 60.7290 70.2658 173.7815 125 V 4.0587 7.6108 122.0778 60.9453 33.1641 175.1100 126 D 4.6057 8.1876 127.1804 53.8836 42.9336 177.2788 127 T 3.9127 8.5097 119.7074 66.9888 68.4637 176.7659 128 K 4.1924 7.7785 122.0893 59.1078 32.3305 178.8095 129 Q 3.9240 7.9079 117.6828 58.7390 28.6593 178.3511 130 A 4.0414 7.4282 121.5271 54.9115 17.9434 179.7184 131 Q 3.8729 8.0100 117.0388 59.0636 28.7511 178.6815 132 D 4.3366 8.1915 120.1078 57.1167 40.6254 178.5119 133 L 3.5824 7.5548 119.5092 57.8556 42.3687 178.4953 134 A 4.2120 7.8471 120.6265 55.3613 18.5149 179.4164 135 R 3.8801 8.3006 117.7919 59.7140 29.8868 178.6320 136 S 4.2268 7.7694 112.2687 60.4794 63.2773 174.8936 137 Y 4.8810 7.9760 119.5452 56.9487 38.2963 176.1828 138 G 4.1721 8.0256 107.6100 46.5187 0.0000 173.2350 139 I 4.8051 7.6636 110.8690 57.8091 40.9866 173.2937 140 P 4.6335 0.0000 0.0000 62.6060 32.7050 174.9029 141 F 5.6431 8.7807 124.2328 56.6773 41.8229 174.5931 142 I 4.1774 8.0138 125.5641 59.3379 41.3165 174.0822 143 E 4.5379 8.1954 126.5867 55.8878 30.0057 175.9582 144 T 4.9126 8.7306 114.5807 60.0533 72.9812 173.0446 145 S 4.7593 9.0078 116.7104 56.8382 65.2351 174.5553 146 A 4.2230 8.4808 130.2385 53.7539 18.6626 177.9658 147 K 3.3899 7.7509 116.4809 58.1537 32.6463 177.5705 148 T 3.9920 7.3215 105.5320 61.5776 69.3482 175.5561 149 R 3.9309 8.0138 122.1392 55.9653 29.9083 175.0585 150 Q 3.9059 7.6130 118.5800 58.2863 29.2426 177.1443 151 G 3.7974 8.8847 112.6928 46.2384 0.0000 175.1759 152 V 3.5532 7.5589 120.0008 66.1990 31.5519 177.8612 153 D 4.1868 7.8116 118.1609 57.0520 40.5627 177.9048 154 D 4.1486 7.8454 117.8904 57.3063 41.1792 178.0764 155 A 3.8463 8.1641 121.3954 55.2494 18.3790 179.7135 156 F 4.0594 7.8553 115.1170 60.8176 39.0962 177.7683 157 Y 4.2443 8.9292 116.7978 61.4088 37.6374 178.6728 158 T 3.8982 8.3284 116.9894 66.5214 68.5071 176.3084 159 L 3.9184 7.8523 122.2121 58.2589 42.0476 179.1934 160 V 3.2057 7.7058 117.9356 66.0380 31.5030 178.2783 161 R 3.9337 8.0695 117.7193 59.1346 29.6080 178.9377 162 E 4.0271 8.0459 117.9196 59.4976 29.6418 179.1340 163 I 3.9544 7.9265 120.0146 64.2968 36.7141 178.7902 164 R 4.0786 8.0662 119.1787 59.2246 29.7235 179.2122 165 K 3.7960 7.8983 116.8378 59.2124 32.0263 178.1672 166 H 4.5931 7.6408 117.5424 56.8917 30.1519 174.9068 167 K 4.1756 7.7810 124.0584 56.7636 32.5265 175.6214 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 F 8.32 4.72 0.00 2.99 3.04 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 -1 Q 7.69 4.09 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.10 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 0 G 6.27 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.44 4.31 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 2 T 8.52 3.97 4.09 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 0.63 0.00 0.00 3 E 8.40 4.88 0.00 1.88 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 0.00 2.19 2.41 0.00 4 Y 9.15 5.01 0.00 2.86 2.79 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 5 K 9.48 4.92 0.00 1.71 1.76 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 6 L 9.21 5.07 0.00 1.62 1.60 1.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.42 4.75 1.66 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 1.23 0.00 0.00 0.83 0.00 0.00 8 V 8.79 4.77 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 0.90 0.00 0.00 1.05 0.00 0.00 9 V 9.01 4.92 2.10 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 1.16 0.00 0.00 1.00 0.00 0.00 10 G 8.47 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 11 A 7.57 4.37 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 12 G 8.51 3.74 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 0.00 0.00 0.00 13 G 8.97 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 14 V 7.27 3.74 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 0.80 0.00 0.00 1.10 0.00 0.00 15 G 8.46 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 0.00 0.00 0.00 0.00 16 K 8.62 3.88 0.00 1.81 2.02 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.52 7.81 17 S 8.26 4.25 0.00 3.84 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 18 A 7.99 4.00 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 19 L 8.15 3.99 0.00 2.00 1.89 0.86 0.59 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 20 T 7.76 3.79 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 0.72 0.00 0.00 21 I 8.00 3.47 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.99 0.00 0.00 22 Q 8.01 4.20 0.00 2.39 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 23 L 7.33 3.84 0.00 1.36 1.44 0.79 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.47 3.89 1.77 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 1.47 0.72 0.99 0.00 0.00 25 Q 8.34 4.49 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 26 N 7.98 4.63 0.00 2.89 2.90 0.00 0.00 6.66 7.99 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 27 H 8.19 4.84 0.00 3.03 3.16 0.00 5.91 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.65 4.51 0.00 2.88 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 29 V 7.67 3.70 1.89 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 0.67 0.00 0.00 0.74 0.00 0.00 30 D 8.20 4.02 0.00 2.47 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 31 E 7.75 4.26 0.00 2.05 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 2.11 2.20 0.00 *38 D 7.71 4.45 0.00 2.77 2.79 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 39 S 8.50 5.36 0.00 3.82 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 40 Y 9.11 4.88 0.00 2.86 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 41 R 8.47 5.72 0.00 1.64 1.78 0.00 3.24 0.00 0.00 3.81 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 42 K 8.43 4.57 0.00 1.75 1.54 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.43 7.81 43 Q 8.71 5.01 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 44 V 8.67 4.59 1.89 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 0.67 0.00 0.00 0.79 0.00 0.00 45 V 8.26 4.66 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 0.77 0.00 0.00 0.92 0.00 0.00 46 I 8.28 4.16 1.66 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.11 0.78 0.00 0.00 47 D 9.85 4.44 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 48 G 8.54 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 49 E 7.93 4.55 0.00 2.13 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 2.27 2.23 0.00 50 T 8.56 4.55 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 1.30 0.00 0.00 51 C 9.54 5.11 0.00 3.25 3.29 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 52 L 9.27 4.99 0.00 1.75 1.57 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.07 5.00 0.00 1.67 1.63 0.96 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 54 D 9.34 5.27 0.00 2.69 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 55 I 9.01 4.92 1.94 0.00 0.00 0.63 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 0.65 1.05 0.00 0.00 56 L 9.19 4.73 0.00 1.70 1.52 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.18 5.07 0.00 2.90 2.81 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 58 T 8.30 4.31 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 0.92 0.00 0.00 59 A 8.52 3.99 1.34 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 0.00 0.00 *69 D 8.04 4.40 0.00 2.74 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 70 Q 7.94 4.11 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.94 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 71 Y 7.65 4.68 0.00 3.19 3.30 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 72 M 6.91 4.35 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.32 0.00 73 R 7.72 4.18 0.00 2.05 2.02 0.00 3.31 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 74 T 7.88 4.37 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 1.31 0.00 0.00 75 G 7.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.90 4.44 0.00 2.04 2.10 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 2.35 2.29 0.00 77 G 7.38 4.35 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 0.00 78 F 9.03 5.41 0.00 2.96 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 79 L 9.11 4.72 0.00 1.47 1.46 -0.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.09 4.82 0.00 2.99 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 81 V 8.62 4.96 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 0.86 0.00 0.00 82 F 9.32 5.29 0.00 3.30 3.35 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 83 A 8.63 5.14 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 84 I 9.12 3.99 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 1.38 0.69 0.97 0.00 0.00 85 N 8.14 5.01 0.00 2.85 2.94 0.00 0.00 5.75 8.04 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 86 N 8.21 4.92 0.00 2.77 2.93 0.00 0.00 7.21 6.82 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 87 T 8.44 3.99 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 1.30 0.00 0.00 88 K 7.98 4.03 0.00 1.92 2.05 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.52 7.81 89 S 8.18 4.35 0.00 4.29 4.13 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 90 F 8.26 4.01 0.00 2.75 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 91 E 8.12 3.91 0.00 2.19 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 2.35 2.61 0.00 92 D 7.92 4.63 0.00 3.10 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 93 I 7.57 3.98 1.85 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.11 1.07 0.00 0.00 94 H 8.06 4.63 0.00 3.39 3.57 0.00 5.62 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 95 H 7.70 4.06 0.00 2.97 3.02 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 7.66 3.93 0.00 3.19 3.02 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 97 R 8.00 3.82 0.00 1.59 1.77 0.00 2.31 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.35 0.00 98 E 8.15 3.86 0.00 2.02 1.92 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 2.39 2.43 0.00 99 Q 7.90 3.86 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 100 I 7.63 3.38 1.65 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.25 0.07 0.00 0.00 101 K 7.92 4.10 0.00 1.70 1.83 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.16 7.81 102 R 7.72 3.87 0.00 1.91 2.03 0.00 3.26 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 1.60 1.59 0.00 103 V 7.52 3.60 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 0.97 0.00 0.00 0.88 0.00 0.00 104 K 8.08 3.82 0.00 1.72 1.90 0.00 1.87 0.00 0.00 2.13 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.59 7.81 105 D 7.62 4.57 0.00 2.94 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 0.00 106 S 7.53 4.73 0.00 3.98 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 4.55 0.00 1.94 1.92 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 2.21 2.25 0.00 108 D 8.62 4.84 0.00 2.61 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 0.00 109 V 7.48 4.31 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 0.99 0.00 0.00 0.90 0.00 0.00 110 P 0.00 4.46 0.00 2.29 2.01 0.00 3.82 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 2.20 2.09 0.00 111 M 8.38 5.36 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 112 V 8.63 4.65 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 1.06 0.00 0.00 0.94 0.00 0.00 113 L 9.30 5.00 0.00 2.06 2.04 1.37 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.24 4.52 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.80 0.00 0.00 115 G 8.64 3.39 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 0.00 116 N 8.86 5.02 0.00 2.68 2.72 0.00 0.00 7.07 7.10 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 0.00 117 K 8.50 4.19 0.00 2.02 1.89 0.00 1.91 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.41 7.81 118 C 7.98 4.33 0.00 3.05 2.99 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 0.00 119 D 7.86 4.41 0.00 2.72 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 0.00 120 L 7.57 4.25 0.00 1.81 1.63 0.94 1.08 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 0.00 121 P 0.00 4.59 0.00 2.17 2.12 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 122 S 8.38 3.75 0.00 4.04 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 0.00 123 R 8.11 4.02 0.00 1.77 1.85 0.00 3.17 0.00 0.00 3.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 124 T 8.73 4.49 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 1.26 0.00 0.00 125 V 7.61 4.06 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 -0.28 0.00 0.00 0.79 0.00 0.00 126 D 8.19 4.61 0.00 2.72 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 0.00 127 T 8.51 3.91 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 1.37 0.00 0.00 128 K 7.78 4.19 0.00 1.84 1.76 0.00 1.62 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.41 7.81 129 Q 7.91 3.92 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 130 A 7.43 4.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.01 3.87 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 132 D 8.19 4.34 0.00 2.79 2.64 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 0.00 0.00 0.00 0.00 133 L 7.55 3.58 0.00 1.49 1.74 0.42 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.85 4.21 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.30 3.88 0.00 2.00 2.07 0.00 3.10 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 136 S 7.77 4.23 0.00 3.95 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 0.00 137 Y 7.98 4.88 0.00 3.19 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 0.00 138 G 8.03 4.17 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 0.00 139 I 7.66 4.81 2.20 0.00 0.00 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 1.74 0.96 1.06 0.00 0.00 140 P 0.00 4.63 0.00 2.14 2.05 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 141 F 8.78 5.64 0.00 3.02 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 0.00 142 I 8.01 4.18 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.72 0.00 0.00 143 E 8.20 4.54 0.00 1.69 1.77 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 2.13 2.12 0.00 144 T 8.73 4.91 4.14 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 1.08 0.00 0.00 145 S 9.01 4.76 0.00 3.73 3.59 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 0.00 146 A 8.48 4.22 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 0.00 147 K 7.75 3.39 0.00 0.84 1.40 0.00 1.27 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.85 0.21 7.81 148 T 7.32 3.99 4.16 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 1.09 0.00 0.00 149 R 8.01 3.93 0.00 2.03 2.06 0.00 3.08 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 150 Q 7.61 3.91 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.52 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 151 G 8.88 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 0.00 0.00 0.00 152 V 7.56 3.55 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 1.11 0.00 0.00 0.95 0.00 0.00 153 D 7.81 4.19 0.00 2.29 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 7.85 4.15 0.00 2.65 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 0.00 155 A 8.16 3.85 1.10 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 0.00 0.00 0.00 156 F 7.86 4.06 0.00 3.33 3.21 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 0.00 157 Y 8.93 4.24 0.00 2.94 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 0.00 158 T 8.33 3.90 4.41 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 1.22 0.00 0.00 159 L 7.85 3.92 0.00 1.82 1.84 1.02 0.86 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 0.00 160 V 7.71 3.21 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 0.31 0.00 0.00 0.72 0.00 0.00 161 R 8.07 3.93 0.00 2.06 1.96 0.00 3.19 0.00 0.00 3.50 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 162 E 8.05 4.03 0.00 2.14 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 0.00 2.57 2.52 0.00 163 I 7.93 3.95 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.93 1.15 0.00 0.00 164 R 8.07 4.08 0.00 2.05 2.03 0.00 3.10 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 165 K 7.90 3.80 0.00 1.99 1.92 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.66 7.81 166 H 7.64 4.59 0.00 3.15 3.55 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 K 7.78 4.18 0.00 1.86 1.81 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.29 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.66 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.