NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3612 8.1744 110.9522 61.9447 70.1657 173.4377 2 H 4.4376 8.4316 121.6412 53.9461 30.3876 171.3899 3 A 4.3820 9.0855 126.5062 51.4311 21.7148 174.8298 4 T 4.9464 7.5303 112.9945 61.8045 70.3657 174.0227 5 S 4.7807 9.2797 122.6188 57.7873 64.3614 172.7059 6 T 5.0459 9.2818 123.5804 61.8284 70.7859 172.5732 7 E 4.5054 9.0586 128.2694 54.8018 31.4796 174.5413 8 T 4.7884 8.6825 124.0109 61.7982 71.6937 173.0627 9 I 4.3162 8.3884 128.5876 59.7525 39.1968 174.6591 10 H 4.6722 9.0597 126.1878 55.3192 30.1717 174.2677 11 Y 5.4095 8.6810 121.3873 56.7796 39.7381 175.0986 12 V 5.1587 8.9498 117.3217 59.6724 36.9742 174.7192 13 N 5.3887 8.4707 119.4541 50.8602 39.5707 175.8079 14 E 4.0357 9.0559 117.2509 59.4218 29.4953 177.8944 15 D 4.5190 8.4828 116.7755 54.3337 41.1947 177.3879 16 G 3.9505 8.5353 108.2180 45.3672 0.0000 173.2776 17 D 4.5852 7.9695 119.9479 52.9142 41.8202 175.7025 18 Q 4.5640 8.6310 124.9061 56.6307 29.4295 176.1888 19 V 3.9941 8.5939 117.6556 61.2493 33.3890 175.5331 20 F 4.9289 7.5884 116.2679 55.4615 42.9253 173.9299 21 E 4.2398 8.7710 121.9419 56.1597 29.9157 177.0172 22 D 4.5459 8.8047 121.6459 55.2020 41.4760 177.0520 23 G 4.1344 8.5711 112.9440 43.6699 0.0000 170.7518 24 G 3.9305 8.6449 102.7016 45.1106 0.0000 172.1328 25 G 4.0887 7.2895 106.8458 46.1202 0.0000 171.3506 26 K 5.4795 8.6981 119.0970 54.8176 36.4705 176.0803 27 L 4.5555 9.0341 121.7683 53.2798 45.5974 175.3027 28 D 5.1525 8.4339 123.3804 53.1258 43.0274 175.4835 29 F 5.3032 8.8501 119.7210 56.3463 43.4933 173.6548 30 T 5.2784 9.3497 113.9664 61.3904 71.2397 172.3779 31 R 4.9014 8.3520 119.9280 55.1174 32.3261 174.3471 32 T 4.5395 8.3079 110.5451 60.5730 71.7436 173.4312 33 V 4.5646 8.0418 121.4896 61.5463 34.3919 174.4111 34 T 4.6400 8.6778 125.3645 61.8677 70.3727 173.8708 35 I 4.8842 8.1064 118.6598 58.7430 41.5657 174.0082 36 D 4.5959 8.8039 122.8753 53.4502 41.5493 176.9351 37 D 4.3177 8.9204 125.3951 56.6490 41.7183 177.1611 38 V 3.9297 7.8132 118.0405 65.3785 31.9623 176.9770 39 T 4.0268 10.3005 107.7698 62.1441 69.1137 175.2373 40 N 4.3806 8.2577 117.9521 53.6845 36.9163 173.8989 41 E 4.2393 7.8139 118.8826 55.9844 30.9218 176.2772 42 V 3.7752 8.2074 123.8608 63.0328 31.5769 175.8051 43 V 3.9938 8.7817 129.1285 65.1591 32.2978 175.5926 44 E 4.6739 7.2608 114.7529 55.8630 32.2790 174.2980 45 Y 4.7707 8.0851 118.3385 56.1766 40.5631 175.9879 46 G 3.9557 8.9877 111.6498 45.5963 0.0000 173.1476 47 E 4.3481 8.4757 119.5631 55.4924 30.4584 177.1890 48 W 4.7266 8.7371 123.2014 57.1848 29.9475 175.6616 49 T 5.0238 9.5963 115.0438 59.0844 71.4206 171.6006 50 P 4.0804 0.0000 0.0000 62.7020 31.7785 176.5325 51 V 3.5397 8.2298 123.5890 66.9944 31.9010 176.6294 52 T 4.0724 7.9970 105.9040 61.2257 69.2599 174.7977 53 D 4.9166 8.7459 114.8187 52.0609 44.4498 175.5833 54 D 4.9434 8.4617 118.9197 53.5717 39.9114 175.9226 55 E 4.9344 7.5491 118.2153 54.6855 33.5445 175.3027 56 F 4.3716 9.3960 122.6533 57.1222 40.1304 175.3245 57 A 4.5462 8.7791 124.5804 51.4468 19.2364 177.0209 58 A 4.2629 8.6190 121.3029 52.3169 19.4988 177.2672 59 V 4.3518 8.6737 121.4578 61.1480 33.9897 175.0189 60 T 4.4743 8.5535 125.2773 63.6577 69.0371 174.5223 61 S 4.3898 8.7367 123.3426 57.3147 63.6502 172.9167 62 P 4.0622 0.0000 0.0000 62.4094 31.6361 175.5296 63 D 4.7788 8.1162 120.6608 53.1762 42.2816 176.1532 64 K 4.5897 8.5504 123.6444 54.1018 34.5763 174.7825 65 D 4.5780 8.8277 126.3803 55.8504 41.7157 176.2750 66 G 4.0404 9.4812 113.3940 45.8403 0.0000 171.8815 67 Y 5.2920 7.9588 115.0210 56.5522 42.6007 174.9114 68 T 4.8700 8.9423 117.6781 61.2684 72.0985 172.0614 69 P 4.5054 0.0000 0.0000 62.0124 32.3797 177.3013 70 D 4.4886 8.4344 121.2869 56.0213 39.5561 176.7553 71 T 4.5924 7.0976 113.9905 60.3047 70.4035 173.4116 72 S 4.4748 8.6505 121.7117 59.5483 64.6107 173.1740 73 E 5.0090 7.7459 121.2887 55.3971 32.9508 174.4931 74 V 3.9865 8.8583 128.2514 62.1451 32.6290 175.5547 75 A 4.5865 8.6964 129.3702 51.5178 19.3432 176.5795 76 A 4.5981 8.4754 120.6475 52.0926 19.3568 177.2541 77 Q 4.6605 8.7761 119.1770 54.0435 32.8129 174.3905 78 K 4.9136 8.7073 123.3118 54.3359 33.3264 174.8486 79 P 4.5191 0.0000 0.0000 62.9113 32.5532 176.4920 80 D 4.6341 8.2946 121.3898 53.9710 43.5397 174.8989 *82 T 4.3493 8.2544 107.7496 62.6518 70.4282 173.7903 83 D 5.1273 8.5467 123.0336 53.3434 43.7266 176.0652 84 G 3.7175 8.2765 108.3606 44.4023 0.0000 172.2660 85 P 3.8517 0.0000 0.0000 64.6987 31.0696 176.8249 86 D 4.6801 7.7815 115.5954 53.4477 41.2335 176.6630 87 G 4.1445 7.5332 108.7651 46.1095 0.0000 172.9504 88 T 4.7392 8.5565 111.2477 60.4014 72.2563 172.8934 89 V 3.5727 7.7806 123.0314 61.5513 32.1815 175.8800 90 K 4.3994 8.4841 127.8263 55.7313 33.4382 176.3180 91 D 4.8087 8.4404 121.9899 53.9295 42.5981 175.8419 92 V 4.3869 8.5539 119.3878 61.2239 34.2178 173.9031 93 E 5.0785 8.7787 126.7835 54.6049 32.0723 175.5646 94 V 4.4899 8.4484 122.7134 61.5423 35.7121 173.8277 95 T 4.9533 8.4513 122.3950 61.8132 71.5964 173.1640 96 V 4.4574 8.9462 127.2283 61.4279 34.0926 174.2530 97 T 5.2059 9.2985 125.0454 62.2948 70.8225 173.0641 98 Y 4.9418 9.6985 124.9999 57.0941 39.9271 174.6057 99 T 4.9856 8.8005 121.5096 61.3960 70.9807 174.2421 100 A 3.4828 8.6429 128.5496 51.9884 18.9199 176.7354 101 N 4.7333 8.4554 119.0001 51.3673 40.6963 173.9201 102 P 4.3822 0.0000 0.0000 62.8870 31.6229 176.3162 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 T 8.17 4.36 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 1.30 0.00 0.00 2 H 8.43 4.44 0.00 3.21 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.09 4.38 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.53 4.95 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 5 S 9.28 4.78 0.00 3.94 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 6 T 9.28 5.05 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 1.24 0.00 0.00 7 E 9.06 4.51 0.00 1.16 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 1.82 1.75 0.00 8 T 8.68 4.79 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 0.97 0.00 0.00 9 I 8.39 4.32 1.50 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 1.02 0.60 0.24 0.00 0.00 10 H 9.06 4.67 0.00 2.97 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.68 5.41 0.00 3.15 3.27 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 0.00 12 V 8.95 5.16 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 0.94 0.00 0.00 1.06 0.00 0.00 13 N 8.47 5.39 0.00 3.00 2.99 0.00 0.00 6.91 7.15 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 14 E 9.06 4.04 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 15 D 8.48 4.52 0.00 2.94 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 16 G 8.54 3.95 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 0.00 0.00 0.00 17 D 7.97 4.59 0.00 2.70 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 18 Q 8.63 4.56 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 19 V 8.59 3.99 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 0.55 0.00 0.00 0.68 0.00 0.00 20 F 7.59 4.93 0.00 2.96 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 21 E 8.77 4.24 0.00 2.05 1.96 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 2.38 2.32 0.00 22 D 8.80 4.55 0.00 2.68 2.58 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 23 G 8.57 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 0.00 0.00 0.00 24 G 8.64 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 25 G 7.29 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 0.00 0.00 0.00 0.00 26 K 8.70 5.48 0.00 1.66 1.75 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.49 7.81 27 L 9.03 4.56 0.00 0.90 1.27 0.32 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.43 5.15 0.00 2.47 2.52 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 29 F 8.85 5.30 0.00 2.81 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 30 T 9.35 5.28 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 1.35 0.00 0.00 31 R 8.35 4.90 0.00 1.34 0.66 0.00 2.21 0.00 0.00 2.80 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.27 0.00 32 T 8.31 4.54 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 1.19 0.00 0.00 33 V 8.04 4.56 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 0.60 0.00 0.00 1.02 0.00 0.00 34 T 8.68 4.64 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 1.15 0.00 0.00 35 I 8.11 4.88 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.82 0.00 0.00 36 D 8.80 4.60 0.00 2.78 2.54 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 37 D 8.92 4.32 0.00 2.64 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 38 V 7.81 3.93 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 0.88 0.00 0.00 0.92 0.00 0.00 39 T 10.30 4.03 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 40 N 8.26 4.38 0.00 2.90 2.99 0.00 0.00 7.01 7.19 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 41 E 7.81 4.24 0.00 1.89 1.83 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 2.31 2.39 0.00 42 V 8.21 3.78 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 -0.04 0.00 0.00 0.85 0.00 0.00 43 V 8.78 3.99 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 0.77 0.00 0.00 0.87 0.00 0.00 44 E 7.26 4.67 0.00 1.96 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 2.07 2.13 0.00 45 Y 8.09 4.77 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.99 3.96 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 0.00 0.00 0.00 47 E 8.48 4.35 0.00 1.89 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 2.31 2.30 0.00 48 W 8.74 4.73 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.60 5.02 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 50 P 0.00 4.08 0.00 1.86 1.85 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 51 V 8.23 3.54 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 0.71 0.00 0.00 0.89 0.00 0.00 52 T 8.00 4.07 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 1.13 0.00 0.00 53 D 8.75 4.92 0.00 2.56 2.54 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 54 D 8.46 4.94 0.00 2.99 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 55 E 7.55 4.93 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 56 F 9.40 4.37 0.00 3.13 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 57 A 8.78 4.55 1.27 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 0.00 0.00 0.00 58 A 8.62 4.26 1.28 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 59 V 8.67 4.35 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 1.13 0.00 0.00 0.97 0.00 0.00 60 T 8.55 4.47 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 1.23 0.00 0.00 61 S 8.74 4.39 0.00 3.73 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 62 P 0.00 4.06 0.00 0.49 1.05 0.00 2.61 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.55 0.00 63 D 8.12 4.78 0.00 2.65 2.63 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 64 K 8.55 4.59 0.00 1.85 1.72 0.00 0.77 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.11 7.81 65 D 8.83 4.58 0.00 2.71 2.62 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 66 G 9.48 4.04 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 0.00 67 Y 7.96 5.29 0.00 3.05 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 68 T 8.94 4.87 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 1.22 0.00 0.00 69 P 0.00 4.51 0.00 1.90 0.86 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 70 D 8.43 4.49 0.00 2.80 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 71 T 7.10 4.59 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 1.20 0.00 0.00 72 S 8.65 4.47 0.00 3.93 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 0.00 73 E 7.75 5.01 0.00 1.92 1.83 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 2.25 2.27 0.00 74 V 8.86 3.99 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 0.92 0.00 0.00 75 A 8.70 4.59 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 76 A 8.48 4.60 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 77 Q 8.78 4.66 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 78 K 8.71 4.91 0.00 1.66 1.76 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.46 7.81 79 P 0.00 4.52 0.00 2.08 2.28 0.00 3.96 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 1.69 1.99 0.00 80 D 8.29 4.63 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.35 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 1.20 0.00 0.00 83 D 8.55 5.13 0.00 2.68 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 84 G 8.28 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 85 P 0.00 3.85 0.00 2.20 2.34 0.00 3.27 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 86 D 7.78 4.68 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 87 G 7.53 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 0.00 0.00 0.00 0.00 88 T 8.56 4.74 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 1.30 0.00 0.00 89 V 7.78 3.57 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 0.27 0.00 0.00 -0.50 0.00 0.00 90 K 8.48 4.40 0.00 1.71 1.66 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.49 7.81 91 D 8.44 4.81 0.00 2.54 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 92 V 8.55 4.39 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 0.96 0.00 0.00 1.04 0.00 0.00 93 E 8.78 5.08 0.00 1.82 1.80 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 2.16 2.19 0.00 94 V 8.45 4.49 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 0.88 0.00 0.00 0.83 0.00 0.00 95 T 8.45 4.95 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 1.27 0.00 0.00 96 V 8.95 4.46 2.21 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 0.95 0.00 0.00 0.93 0.00 0.00 97 T 9.30 5.21 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 1.29 0.00 0.00 98 Y 9.70 4.94 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.80 4.99 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 1.26 0.00 0.00 100 A 8.64 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.46 4.73 0.00 2.52 2.71 0.00 0.00 6.99 7.58 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 0.00 102 P 0.00 4.38 0.00 2.01 1.93 0.00 3.66 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 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.