NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-6 L 4.3960 8.1844 120.7671 54.3065 42.4008 175.9011 -5 V 4.2296 8.0900 121.7882 61.0976 33.6140 174.5970 -4 P 4.2374 0.0000 0.0000 64.7427 32.4084 175.0239 -3 R 4.8709 7.4013 116.9715 54.4158 32.9236 173.9745 -2 G 4.4579 8.3387 108.8192 45.2543 0.0000 173.6356 -1 S 4.2445 7.8815 109.2948 57.2574 62.4144 173.3168 0 H 3.8940 6.3374 123.9659 51.9789 29.5811 172.9866 1 M 5.0833 8.4164 121.1269 53.7588 35.0947 173.9098 2 D 4.9421 9.4090 125.7093 52.5541 43.9386 174.5612 3 I 4.7856 8.4433 127.1758 60.4971 38.1332 175.3671 4 R 4.8345 9.1211 125.9783 54.1168 34.6234 174.3512 5 Q 4.2632 8.5962 122.5998 55.3444 29.9260 174.7870 6 M 3.9500 8.0555 127.3590 56.2862 32.7589 175.1326 7 N 4.8793 8.5686 125.2789 50.6787 40.2659 175.3257 8 K 3.9440 8.3263 116.0104 60.0232 32.7645 178.1147 9 T 4.4496 7.7142 108.2267 62.0573 68.5444 174.7010 10 H 5.0022 7.8821 118.0044 55.3514 30.9595 175.4416 11 L 3.9897 7.7134 120.3003 57.8913 41.2494 178.8051 12 E 4.2714 8.0807 117.1357 58.4286 30.0266 178.3409 13 H 4.2411 8.0486 116.0856 58.5512 28.8707 177.1671 14 W 4.0267 8.4955 130.3140 60.6021 30.6190 177.6230 15 R 3.4696 8.1738 118.3568 59.4317 29.1802 178.4634 16 G 3.5997 7.9584 104.2741 47.8635 0.0000 175.3585 17 L 4.1601 7.6480 120.9963 57.4649 41.7312 179.4420 18 R 3.5907 7.3386 118.6645 59.1282 29.5567 178.4818 19 K 3.9235 7.6626 117.6561 58.2635 31.7346 177.9687 20 Q 4.2951 7.4800 116.7421 55.6127 29.1855 176.1151 21 L 3.8794 6.9282 121.0460 54.9719 44.5441 176.2365 22 W 4.8748 7.7748 117.1600 54.4302 29.2239 173.3182 23 P 4.8712 0.0000 0.0000 62.7577 31.4428 175.9025 24 G 3.3271 8.3795 115.9897 45.0327 0.0000 172.0718 25 H 4.7314 7.7385 121.6977 53.6186 30.8267 173.2617 26 P 4.3821 0.0000 0.0000 62.5610 33.3052 176.9651 27 D 4.4690 8.8269 120.7991 57.6788 40.6394 179.3409 28 D 4.2562 8.0045 118.6513 57.2323 40.9343 177.9206 29 A 3.8448 7.9055 120.6670 55.8406 18.1757 179.0010 30 H 4.0558 8.0375 114.1790 59.0679 28.7686 177.7999 31 L 4.0079 7.8842 121.3529 58.0214 41.9626 178.4698 32 A 4.1074 8.3527 121.1912 55.5679 18.2980 179.0441 33 D 4.4779 8.3925 117.1585 57.6878 40.9476 179.3194 34 G 3.4540 8.5246 105.9392 47.9743 0.0000 175.0658 35 E 3.8701 8.0586 121.1025 59.1628 29.5414 178.6987 36 E 3.8402 8.2184 118.8456 60.1580 29.4064 178.4835 37 I 3.4899 8.0790 118.2323 64.9076 37.2302 177.9926 38 L 3.7292 7.8945 119.7852 58.4502 41.7206 179.5960 39 Q 4.0429 8.0584 117.1406 58.3293 28.8049 177.1621 40 A 4.2086 7.6750 123.5777 51.9564 19.0516 178.1356 41 D 4.2700 8.8118 121.6531 57.1293 41.4733 177.1274 42 H 4.9539 8.4534 112.8315 55.9876 30.0651 174.8078 43 L 5.1115 7.4520 119.1808 53.3512 43.5720 175.7632 44 A 4.1550 8.2085 122.9641 50.5381 22.8649 175.2347 45 S 5.0222 7.4509 114.2990 56.7190 68.0285 173.0264 46 F 5.2119 9.4746 119.7270 55.9201 43.0685 173.9917 47 I 5.1281 9.0681 123.3907 59.5207 40.4997 174.6581 48 A 5.0513 9.3732 128.3809 50.7421 20.5776 175.3752 49 M 4.8560 9.2636 122.1949 55.1792 34.1033 175.8028 50 A 4.6384 9.2475 124.4940 50.8863 22.4277 176.0394 51 D 4.1309 8.9364 124.1408 55.4800 38.8075 174.9129 52 G 3.9310 8.0456 103.5566 45.7560 0.0000 172.5862 53 V 4.2540 7.7504 118.9970 60.4645 34.4083 174.4417 54 A 4.6079 8.3946 128.3355 51.6683 18.6793 177.1743 55 I 4.1624 8.1982 116.3665 60.7251 39.1791 175.5262 56 G 4.4223 7.6796 107.9545 46.1036 0.0000 172.3914 57 F 5.7310 8.7729 116.2765 55.6753 42.3269 172.8884 58 A 4.9576 9.4928 119.9519 50.5971 22.9657 175.0356 59 D 5.4341 10.4864 122.8458 52.9816 42.8650 175.3184 60 A 5.6183 8.9539 126.1758 50.4052 22.1849 175.3488 61 S 5.3574 9.1355 113.1390 57.0467 67.5220 172.7215 62 I 4.9888 8.6007 121.2386 59.8291 38.8821 175.5472 63 R 4.6025 9.2937 127.3758 55.3142 31.5212 176.9394 64 H 4.6463 9.0774 119.3464 55.6644 29.7493 174.0193 65 D 4.9046 7.5948 119.9399 52.5849 43.0808 175.2294 66 Y 4.2339 8.3711 120.1980 58.3199 39.3662 176.3601 67 V 4.0477 6.6600 123.6286 61.3601 33.0399 173.7121 68 N 4.0767 8.3769 123.8266 54.3750 38.1758 175.5199 69 G 4.0730 8.9860 110.7538 46.5531 0.0000 172.2960 70 C 4.9682 7.8091 116.5376 58.0287 30.4409 173.4854 71 D 4.6648 8.8442 121.9493 54.8537 41.6181 176.6591 72 S 4.8264 8.9359 112.7804 56.3383 65.6078 172.8625 73 S 4.5384 8.0068 113.4353 55.8993 65.0521 171.3873 74 P 4.6346 0.0000 0.0000 62.2835 33.5767 174.4064 75 V 4.5083 8.4842 118.8702 61.0521 34.9314 174.6067 76 V 4.6074 8.5041 127.1830 61.9581 32.6138 174.3158 77 F 4.8541 9.2821 131.4364 56.8810 41.4923 174.6451 78 L 4.5975 8.0592 128.0207 53.9627 41.1677 175.7376 79 E 4.4309 9.6345 127.5091 59.1297 30.0789 177.8918 80 G 4.3336 8.0485 102.6745 45.5688 0.0000 172.5145 81 I 4.6299 8.0519 122.7706 59.3800 41.5485 173.8494 82 F 4.5021 8.2476 128.2376 57.1482 43.3059 172.7011 83 V 4.5284 7.1825 125.0994 60.4148 34.0502 174.7941 84 L 3.6854 8.7265 127.4398 55.1063 41.9128 175.4232 85 P 4.2291 0.0000 0.0000 66.1633 31.4221 179.7875 86 S 4.3640 7.9734 107.6349 58.6619 62.0548 175.1033 87 F 4.5785 8.4841 115.2343 58.8334 41.9706 174.8395 88 R 4.1435 7.8381 119.9063 56.5846 31.2565 175.6711 89 Q 3.4836 8.6158 117.1463 56.1988 25.0683 174.6984 90 R 4.3913 7.8520 110.1325 57.0168 34.6654 176.5284 91 G 3.9251 8.3172 107.1614 45.7717 0.0000 175.7982 92 V 3.5179 7.7005 119.1167 66.0104 31.6404 177.7014 93 A 4.0084 7.9424 119.9173 54.8077 18.1499 179.2862 94 K 3.8174 7.8814 117.7427 59.9479 32.3230 178.9388 95 Q 3.9691 8.3115 118.4144 58.7652 28.4159 178.3581 96 L 3.9323 8.2254 119.2072 58.2085 42.0531 179.3867 97 I 3.8244 8.3735 119.4117 64.2410 36.9615 178.3282 98 A 3.9127 8.0467 121.3376 55.2087 18.3260 179.4554 99 A 3.8722 8.2919 118.6635 54.1282 18.2135 179.2724 100 V 3.3798 7.3078 116.4697 64.3317 31.7304 177.8882 101 Q 3.9768 7.6890 119.2263 59.2143 29.1489 177.5292 102 R 3.9529 8.0937 119.7723 59.1525 28.3800 178.3195 103 W 4.3994 7.9610 127.8653 60.4350 30.8421 178.2684 104 G 3.4749 8.1141 105.3436 47.1852 0.0000 175.9997 105 T 3.8255 8.2178 118.8142 66.6730 68.4528 176.2905 106 N 4.4717 7.6589 114.9040 54.5121 38.6086 175.2882 107 K 4.2933 7.1436 119.4466 55.8026 32.7264 176.6347 108 G 3.9420 8.5360 107.6950 45.1512 0.0000 174.2731 109 C 4.4934 7.3373 117.3601 59.3790 28.2829 174.1211 110 R 4.1028 8.6181 124.5627 58.3308 30.3859 176.7020 111 E 4.6971 7.8505 115.5506 54.5189 33.9342 174.8457 112 M 4.9320 8.6065 122.6667 54.1546 33.6403 175.2551 113 A 4.4534 8.3195 128.9080 51.2206 21.4596 174.9443 114 S 4.1941 7.5512 112.5034 58.4718 65.1915 174.1947 115 D 4.7512 8.6441 119.7925 52.6523 41.6987 174.0236 116 T 4.6075 7.8791 113.4564 60.7383 70.7360 172.8519 117 S 4.5574 8.3172 118.7726 56.6260 63.5288 173.0108 118 P 4.2559 0.0000 0.0000 65.8844 31.1413 177.9051 119 E 4.0017 8.1699 115.3869 58.5743 29.6466 177.6056 120 N 4.6408 8.0311 118.4661 52.8515 37.7019 175.0815 121 T 3.9698 7.9987 123.2762 65.9592 69.0308 176.2804 122 I 3.6661 7.6459 121.2745 64.3227 37.1246 178.0425 123 S 4.0445 8.3686 113.8080 61.5998 62.1117 175.8540 124 Q 3.9805 7.9593 120.6296 59.2203 28.5469 179.7012 125 K 3.9685 8.3993 119.2362 59.4785 32.0715 179.1661 126 V 3.5268 7.8032 118.4228 66.8105 31.2662 177.6633 127 H 3.9516 8.4160 115.5925 59.0056 28.4282 177.9134 128 Q 4.2693 8.1432 120.8966 58.4490 28.4219 178.2235 129 A 4.0627 8.2738 120.7273 55.2757 18.3766 178.8497 130 L 4.4734 8.0483 114.9151 54.5670 41.9044 177.1560 131 G 3.8175 8.1059 106.1549 46.7804 0.0000 174.0434 132 F 4.5940 8.5030 118.2358 55.3953 40.7135 175.0109 133 E 4.7047 8.4930 124.0356 54.2728 31.0225 175.4949 134 E 4.0632 8.7878 124.8003 56.6835 30.2045 176.1215 135 T 4.2649 8.6855 116.6794 63.4280 69.8923 174.1547 136 E 4.6709 7.6828 119.6205 54.5229 32.4660 173.7819 137 R 4.8105 8.3120 121.4782 54.7225 32.9020 175.7021 138 V 4.5355 8.0647 112.6721 60.4008 35.7920 173.7249 139 I 4.5306 8.0978 121.7675 59.7174 39.0409 175.5528 140 F 4.8772 8.5912 122.5536 56.1064 41.3537 174.4986 141 Y 4.8761 8.4141 118.7209 56.5002 41.8710 174.8152 142 R 4.8096 8.4314 120.4201 54.7447 33.4743 174.3262 143 K 4.6166 8.2489 122.6340 54.9861 35.3060 175.4737 144 R 4.3385 8.3781 125.0279 55.8363 31.2208 175.9599 145 C 4.3136 8.4726 119.2322 60.0150 28.3241 173.7595 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 L 8.18 4.40 0.00 1.68 1.55 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 -5 V 8.09 4.23 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 0.94 0.00 0.00 0.93 0.00 0.00 -4 P 0.00 4.24 0.00 2.08 2.13 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 -3 R 7.40 4.87 0.00 1.72 1.88 0.00 3.15 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 -2 G 8.34 4.46 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 0.00 -1 S 7.88 4.24 0.00 4.06 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 H 6.34 3.89 0.00 3.29 3.44 0.00 5.55 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.42 5.08 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 2 D 9.41 4.94 0.00 2.79 2.50 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 0.00 3 I 8.44 4.79 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 1.36 0.97 0.97 0.00 0.00 4 R 9.12 4.83 0.00 1.64 1.78 0.00 3.21 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 5 Q 8.60 4.26 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.00 0.00 0.00 0.00 0.00 0.00 1.89 1.58 0.00 6 M 8.06 3.95 0.00 1.57 1.67 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.17 0.00 7 N 8.57 4.88 0.00 2.90 2.90 0.00 0.00 5.96 6.53 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 8 K 8.33 3.94 0.00 1.90 2.04 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.38 7.81 9 T 7.71 4.45 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 1.16 0.00 0.00 10 H 7.88 5.00 0.00 3.24 3.29 0.00 5.66 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 11 L 7.71 3.99 0.00 1.74 1.79 0.89 1.10 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 12 E 8.08 4.27 0.00 2.01 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 2.34 2.43 0.00 13 H 8.05 4.24 0.00 3.46 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.50 4.03 0.00 3.30 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 15 R 8.17 3.47 0.00 2.30 1.88 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.71 0.00 16 G 7.96 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 0.00 0.00 0.00 17 L 7.65 4.16 0.00 1.86 2.13 1.19 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.34 3.59 0.00 0.67 1.23 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 19 K 7.66 3.92 0.00 1.85 1.74 0.00 1.76 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.46 7.81 20 Q 7.48 4.30 0.00 1.30 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 21 L 6.93 3.88 0.00 0.97 1.02 0.65 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 W 7.77 4.87 0.00 3.47 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 23 P 0.00 4.87 0.00 2.17 2.13 0.00 3.35 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 24 G 8.38 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 0.00 0.00 0.00 25 H 7.74 4.73 0.00 3.02 3.25 0.00 5.96 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.38 0.00 2.12 1.91 0.00 3.47 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 2.05 2.14 0.00 27 D 8.83 4.47 0.00 2.67 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 28 D 8.00 4.26 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.04 4.06 0.00 3.38 3.31 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.88 4.01 0.00 2.06 1.68 1.04 1.08 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 32 A 8.35 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.48 0.00 3.19 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 34 G 8.52 3.45 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 0.00 0.00 0.00 0.00 35 E 8.06 3.87 0.00 2.28 1.99 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 2.31 2.31 0.00 36 E 8.22 3.84 0.00 2.07 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 0.00 2.31 2.41 0.00 37 I 8.08 3.49 1.63 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 1.73 0.69 0.62 0.00 0.00 38 L 7.89 3.73 0.00 1.78 1.61 0.65 0.96 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 39 Q 8.06 4.04 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 40 A 7.67 4.21 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 41 D 8.81 4.27 0.00 2.77 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 42 H 8.45 4.95 0.00 3.35 3.59 0.00 5.43 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.45 5.11 0.00 1.26 1.49 0.73 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.21 4.16 -0.80 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 45 S 7.45 5.02 0.00 3.20 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 9.47 5.21 0.00 3.02 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 47 I 9.07 5.13 1.78 0.00 0.00 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 1.09 1.02 0.99 0.00 0.00 48 A 9.37 5.05 1.24 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 0.00 0.00 0.00 49 M 9.26 4.86 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 50 A 9.25 4.64 1.14 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 0.00 0.00 0.00 51 D 8.94 4.13 0.00 2.98 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 52 G 8.05 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 53 V 7.75 4.25 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 0.92 0.00 0.00 0.95 0.00 0.00 54 A 8.39 4.61 1.26 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 0.00 0.00 0.00 55 I 8.20 4.16 0.85 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.51 0.17 0.00 0.00 56 G 7.68 4.42 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 57 F 8.77 5.73 0.00 3.58 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 58 A 9.49 4.96 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 59 D 10.49 5.43 0.00 3.01 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 60 A 8.95 5.62 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.14 5.36 0.00 4.02 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 62 I 8.60 4.99 2.16 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.99 0.00 0.00 63 R 9.29 4.60 0.00 1.80 1.92 0.00 3.25 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.08 0.00 64 H 9.08 4.65 0.00 3.16 3.35 0.00 5.69 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 65 D 7.59 4.90 0.00 2.71 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 66 Y 8.37 4.23 0.00 2.93 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 67 V 6.66 4.05 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 1.13 0.00 0.00 1.04 0.00 0.00 68 N 8.38 4.08 0.00 2.88 2.87 0.00 0.00 7.24 7.65 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 69 G 8.99 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 70 C 7.81 4.97 0.00 3.06 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 71 D 8.84 4.66 0.00 2.70 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 72 S 8.94 4.83 0.00 3.89 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 73 S 8.01 4.54 0.00 3.78 3.69 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 74 P 0.00 4.63 0.00 2.07 1.82 0.00 3.63 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 1.99 1.92 0.00 75 V 8.48 4.51 2.19 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 0.97 0.00 0.00 0.99 0.00 0.00 76 V 8.50 4.61 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 1.13 0.00 0.00 0.92 0.00 0.00 77 F 9.28 4.85 0.00 3.37 3.16 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 78 L 8.06 4.60 0.00 1.77 1.60 1.01 0.84 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 79 E 9.63 4.43 0.00 2.27 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 2.65 2.57 0.00 80 G 8.05 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 81 I 8.05 4.63 1.81 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 1.14 1.07 0.80 0.00 0.00 82 F 8.25 4.50 0.00 2.78 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 0.00 0.00 0.00 83 V 7.18 4.53 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 0.87 0.00 0.00 0.80 0.00 0.00 84 L 8.73 3.69 0.00 1.60 1.76 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.23 0.00 2.18 2.12 0.00 3.65 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 2.17 2.10 0.00 86 S 7.97 4.36 0.00 3.86 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 87 F 8.48 4.58 0.00 3.02 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 88 R 7.84 4.14 0.00 1.74 1.78 0.00 3.26 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.00 89 Q 8.62 3.48 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 90 R 7.85 4.39 0.00 1.79 1.90 0.00 3.14 0.00 0.00 3.40 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 91 G 8.32 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 92 V 7.70 3.52 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 1.00 0.00 0.00 1.05 0.00 0.00 93 A 7.94 4.01 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 94 K 7.88 3.82 0.00 1.82 1.99 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.54 7.81 95 Q 8.31 3.97 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 96 L 8.23 3.93 0.00 1.77 1.75 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.37 3.82 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.55 1.08 0.00 0.00 98 A 8.05 3.91 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 99 A 8.29 3.87 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 0.00 100 V 7.31 3.38 2.24 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 1.24 0.00 0.00 0.95 0.00 0.00 101 Q 7.69 3.98 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 102 R 8.09 3.95 0.00 1.91 1.93 0.00 3.15 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 103 W 7.96 4.40 0.00 3.84 3.54 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 0.00 104 G 8.11 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 3.83 4.36 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 1.18 0.00 0.00 106 N 7.66 4.47 0.00 2.80 2.87 0.00 0.00 6.87 8.58 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 0.00 107 K 7.14 4.29 0.00 1.35 1.29 0.00 1.43 0.00 0.00 1.01 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.08 1.17 7.81 108 G 8.54 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 0.00 109 C 7.34 4.49 0.00 3.06 2.86 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 0.00 110 R 8.62 4.10 0.00 1.77 1.96 0.00 3.13 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 111 E 7.85 4.70 0.00 1.84 1.74 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 2.25 2.24 0.00 112 M 8.61 4.93 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 113 A 8.32 4.45 0.89 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 0.00 0.00 114 S 7.55 4.19 0.00 3.50 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 0.00 115 D 8.64 4.75 0.00 2.89 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 0.00 116 T 7.88 4.61 4.12 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 0.00 0.00 1.15 0.00 0.00 117 S 8.32 4.56 0.00 3.90 3.70 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 0.00 118 P 0.00 4.26 0.00 2.09 2.12 0.00 3.76 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 2.05 2.14 0.00 119 E 8.17 4.00 0.00 1.94 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 0.00 2.32 2.37 0.00 120 N 8.03 4.64 0.00 2.76 2.76 0.00 0.00 7.05 7.44 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 0.00 121 T 8.00 3.97 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 1.21 0.00 0.00 122 I 7.65 3.67 1.85 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 1.50 0.62 0.88 0.00 0.00 123 S 8.37 4.04 0.00 3.94 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 0.00 124 Q 7.96 3.98 0.00 2.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 125 K 8.40 3.97 0.00 1.93 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 126 V 7.80 3.53 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 1.03 0.00 0.00 0.98 0.00 0.00 127 H 8.42 3.95 0.00 3.39 3.31 0.00 5.86 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 0.00 128 Q 8.14 4.27 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 129 A 8.27 4.06 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 0.00 130 L 8.05 4.47 0.00 1.84 1.83 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.11 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 0.00 0.00 0.00 132 F 8.50 4.59 0.00 3.31 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 0.00 133 E 8.49 4.70 0.00 1.97 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 0.00 2.24 2.26 0.00 134 E 8.79 4.06 0.00 1.95 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 0.00 2.31 2.32 0.00 135 T 8.69 4.26 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 1.30 0.00 0.00 136 E 7.68 4.67 0.00 1.95 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 2.27 2.37 0.00 137 R 8.31 4.81 0.00 1.83 1.83 0.00 3.28 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 138 V 8.06 4.54 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 0.75 0.00 0.00 0.63 0.00 0.00 139 I 8.10 4.53 1.96 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 1.42 0.61 0.59 0.00 0.00 140 F 8.59 4.88 0.00 2.92 3.01 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 0.00 141 Y 8.41 4.88 0.00 2.89 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 0.00 142 R 8.43 4.81 0.00 1.76 1.79 0.00 3.25 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 143 K 8.25 4.62 0.00 1.74 1.63 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.45 7.81 144 R 8.38 4.34 0.00 1.82 1.81 0.00 3.28 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 145 C 8.47 4.31 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.