NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3642 8.2993 119.9968 57.0057 33.1992 174.8614 12 F 4.6417 9.8057 120.7084 58.6459 39.4280 178.4666 13 R 2.5644 8.1878 111.1041 54.4713 32.5275 176.0823 14 V 3.2433 8.1768 116.7409 58.9739 32.2030 171.0371 15 R 3.6885 7.8001 112.7208 56.6709 28.5709 178.0575 16 N 3.6608 7.5733 117.5638 55.5922 37.0950 176.9939 17 R 4.0858 7.7566 114.9557 58.3779 29.5412 178.4905 18 I 3.5682 8.2660 120.4064 63.8134 37.1549 177.5585 19 K 4.2639 8.1312 123.0457 56.3886 31.4433 178.0633 20 R 4.2905 7.0723 116.5379 54.5593 28.5699 175.8528 21 T 4.5146 8.9479 113.9840 63.5116 71.1579 174.2584 22 G 4.3087 8.4457 120.1408 44.5598 0.0000 174.5145 23 R 4.1806 8.8413 120.4722 56.7438 32.5577 170.4848 24 L 3.5946 7.7181 125.7207 54.7601 38.2111 172.1714 25 R 4.6449 8.9889 123.8123 54.7910 31.8553 174.7547 26 L 4.6259 9.2134 130.1687 54.0075 42.6056 174.2660 27 S 4.6718 8.9628 121.9473 56.9555 63.7777 173.0765 28 V 4.8875 8.2561 126.4314 61.4878 34.2911 175.1004 29 F 5.0849 9.1815 127.0406 56.9819 41.9812 173.0370 30 R 4.6196 9.0053 127.2507 55.6249 30.7973 175.4462 31 S 4.6872 8.3987 119.7602 55.8432 65.5789 173.5655 32 L 4.0788 8.6655 124.7222 57.6866 41.4727 178.6727 33 K 4.2935 7.8493 115.8151 58.1855 33.6831 176.3648 34 H 4.9988 7.0562 117.8006 55.2086 32.5776 173.1418 35 I 4.3801 7.4874 117.6127 61.9816 40.9842 174.5787 36 Y 4.8112 8.7204 127.7220 56.7116 41.3581 174.6195 37 A 5.0846 8.0025 117.3673 51.6611 23.4192 175.6270 38 Q 4.9331 9.0024 120.6807 54.5475 32.6097 174.6812 39 I 4.5646 8.8682 124.4532 60.7794 37.6810 174.8391 40 I 4.7076 9.1489 129.0422 59.9588 39.3462 175.0037 41 D 4.9795 8.9144 124.6831 52.5652 43.2460 175.7995 42 D 4.8323 8.3087 128.1051 55.3926 41.8330 177.3643 43 E 3.9717 8.9252 121.7619 57.8670 27.2542 174.8222 44 K 4.4364 8.2639 115.0496 55.8174 39.3967 175.6782 45 G 4.0041 8.0992 107.0096 46.4022 0.0000 173.0712 46 V 4.4740 7.4570 115.5295 61.1351 35.3370 173.6444 47 T 4.7501 8.3641 121.1698 62.2716 69.9066 174.5067 48 L 4.5956 8.4336 125.5051 55.7264 43.6560 177.2663 49 V 4.7105 7.5549 117.2078 61.2667 35.1667 174.1273 50 S 5.1926 8.6215 119.8646 57.0164 66.2611 173.7735 51 A 4.4151 8.9358 124.0337 51.5184 21.4904 176.2039 52 S 4.5947 8.5644 117.8283 58.8589 65.2079 176.4465 53 S 4.1414 7.8345 119.5821 59.3977 60.3662 175.7935 54 L 4.0792 8.5543 121.7209 55.7340 41.8210 177.3379 55 A 4.4241 7.4301 120.9117 52.2925 18.6449 177.3745 56 L 4.5778 7.2657 115.1179 53.5547 43.7587 172.3374 57 K 3.8051 8.0110 124.6811 56.4201 32.7160 174.5895 58 L 4.1541 8.2034 122.9603 53.8420 44.7285 172.4397 59 K 3.9115 8.3647 121.1993 56.2745 32.1007 175.2613 60 G 3.9820 8.3017 105.7028 45.4966 0.0000 174.3871 61 N 4.6680 7.7785 118.8304 53.2043 40.0502 171.9930 62 K 4.4395 10.3425 111.1247 58.3581 34.9392 178.6353 63 T 3.7002 8.0148 108.6145 65.0362 68.8729 175.9445 64 E 3.9072 8.2012 121.6792 59.1030 29.4072 179.4935 65 V 3.5553 7.3689 117.4062 65.7022 31.4959 177.7846 66 A 3.9535 7.9602 120.5629 55.2571 18.2061 179.5136 67 R 3.8462 7.9627 115.6932 59.6676 30.2346 179.0246 68 Q 3.9931 7.9672 117.6264 59.0615 28.5375 179.4140 69 V 3.9085 8.2132 119.5394 64.3426 31.3591 177.6526 70 G 3.7902 8.1853 108.1785 46.6085 0.0000 175.5342 71 R 3.9145 8.6122 119.4095 58.7791 30.5324 178.4702 72 A 3.9458 8.0228 119.8468 55.5430 18.2524 179.1067 73 L 3.8360 7.7917 117.0043 58.4346 42.1574 178.9795 74 A 3.9994 7.8025 119.9957 55.7979 18.3435 178.7323 75 E 4.0015 8.5414 117.6537 59.2652 29.4626 178.7990 76 K 3.8541 8.0652 118.6150 60.4927 32.5244 178.1988 77 A 3.9507 8.8464 120.8559 54.4371 18.0153 179.0822 78 L 3.6099 8.6812 116.2349 57.6835 41.8815 179.8203 79 A 3.9936 7.7135 119.4557 54.7942 18.3593 178.1722 80 L 4.2230 8.4953 114.9584 54.9071 42.0803 177.6056 81 G 3.9482 8.3360 107.6440 45.5679 0.0000 175.2527 82 I 4.0547 7.2202 121.4020 60.4494 35.1100 175.6847 83 K 4.1084 8.0533 125.6920 57.7648 33.0243 176.0878 84 Q 4.8918 7.5593 116.0801 53.8092 31.0392 175.4952 85 V 4.4039 7.8374 110.9171 60.5969 35.3462 173.4897 86 A 4.8344 8.6139 121.0516 50.8444 22.4850 175.6913 87 F 4.8258 9.0063 124.1607 56.8624 40.3674 173.3770 88 D 4.3958 8.0066 124.0544 52.1911 42.6060 177.7041 89 R 3.5888 8.7532 122.0986 55.3718 27.1622 175.7916 90 G 3.3588 7.7231 110.2887 48.8838 0.0000 169.9508 91 P 4.3805 0.0000 0.0000 63.5199 31.0305 179.0706 92 Y 3.5953 7.0671 113.3123 55.4149 39.8002 175.6915 93 K 3.3101 6.4082 122.1221 61.7711 30.1597 178.1134 94 Y 3.8984 5.4852 118.2169 58.0116 36.5159 173.0083 95 H 4.1517 8.3823 124.5922 57.3441 34.5935 176.4091 96 G 3.0905 7.7334 107.8999 46.0265 0.0000 176.9751 97 R 3.9266 9.0842 115.8134 56.1856 29.9078 177.4276 98 V 3.3318 9.2756 118.6268 64.0273 31.8244 177.1840 99 K 4.2612 8.3458 131.3901 55.6838 31.2831 179.4272 100 A 4.3188 7.3392 123.7251 52.2249 16.3681 177.3256 101 L 4.5376 7.3402 121.6132 53.5348 44.0071 180.5138 102 A 4.3153 8.7338 123.3050 52.6822 18.6518 182.1822 103 E 3.5329 9.5509 114.9786 56.8090 31.8695 180.6432 104 G 3.4491 8.2709 116.0375 47.0061 0.0000 174.8832 105 A 4.4342 9.7363 135.0000 52.3856 18.2488 177.7909 106 R 4.5947 7.6569 116.9411 55.1651 32.5662 176.6371 107 E 3.3531 8.5358 120.2028 57.0447 30.3430 178.4209 108 G 3.4437 8.1243 100.8917 46.6978 0.0000 175.0925 *109 G 3.7078 7.8326 111.5789 45.6116 0.0000 172.5690 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 11 K 8.30 4.36 0.00 1.96 1.96 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 12 F 9.81 4.64 0.00 3.20 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 13 R 8.19 2.56 0.00 2.00 2.01 0.00 3.15 0.00 0.00 3.17 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 14 V 8.18 3.24 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 0.85 0.00 0.00 0.92 0.00 0.00 15 R 7.80 3.69 0.00 1.96 1.87 0.00 3.17 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 16 N 7.57 3.66 0.00 2.86 3.03 0.00 0.00 6.77 7.38 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 17 R 7.76 4.09 0.00 1.87 2.15 0.00 2.85 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 18 I 8.27 3.57 1.88 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 1.14 0.65 0.88 0.00 0.00 19 K 8.13 4.26 0.00 1.74 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81 20 R 7.07 4.29 0.00 1.93 1.84 0.00 3.30 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 21 T 8.95 4.51 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 1.20 0.00 0.00 22 G 8.45 4.31 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 0.00 23 R 8.84 4.18 0.00 1.78 1.80 0.00 3.37 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 24 L 7.72 3.59 0.00 1.90 1.73 0.93 0.73 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 25 R 8.99 4.64 0.00 1.80 1.76 0.00 3.00 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 26 L 9.21 4.63 0.00 1.77 1.89 1.32 0.75 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 27 S 8.96 4.67 0.00 3.92 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 28 V 8.26 4.89 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 1.03 0.00 0.00 1.03 0.00 0.00 29 F 9.18 5.08 0.00 3.02 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 30 R 9.01 4.62 0.00 1.95 1.94 0.00 3.29 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 31 S 8.40 4.69 0.00 3.42 3.75 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 32 L 8.67 4.08 0.00 1.66 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.85 4.29 0.00 1.57 1.71 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.41 7.81 34 H 7.06 5.00 0.00 2.69 2.73 0.00 5.95 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.49 4.38 1.84 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 1.40 1.32 0.85 0.00 0.00 36 Y 8.72 4.81 0.00 3.11 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 37 A 8.00 5.08 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 38 Q 9.00 4.93 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 39 I 8.87 4.56 1.90 0.00 0.00 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 1.28 0.68 0.93 0.00 0.00 40 I 9.15 4.71 1.85 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 1.11 0.75 0.95 0.00 0.00 41 D 8.91 4.98 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 4.83 0.00 2.81 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 43 E 8.93 3.97 0.00 2.09 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 2.21 2.30 0.00 44 K 8.26 4.44 0.00 1.96 1.78 0.00 1.85 0.00 0.00 2.01 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.37 7.81 45 G 8.10 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 0.00 0.00 0.00 46 V 7.46 4.47 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 1.08 0.00 0.00 0.95 0.00 0.00 47 T 8.36 4.75 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 1.32 0.00 0.00 48 L 8.43 4.60 0.00 1.68 1.71 0.93 0.84 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 49 V 7.55 4.71 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 1.12 0.00 0.00 0.95 0.00 0.00 50 S 8.62 5.19 0.00 3.91 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 51 A 8.94 4.42 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 52 S 8.56 4.59 0.00 3.63 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 53 S 7.83 4.14 0.00 3.84 2.83 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 54 L 8.55 4.08 0.00 0.72 1.41 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.43 4.42 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 56 L 7.27 4.58 0.00 1.57 1.73 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.01 3.81 0.00 1.96 1.79 0.00 2.01 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.49 7.81 58 L 8.20 4.15 0.00 1.45 1.42 0.91 0.61 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 59 K 8.36 3.91 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.47 7.81 60 G 8.30 3.98 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 0.00 0.00 0.00 61 N 7.78 4.67 0.00 2.67 2.74 0.00 0.00 6.81 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 62 K 10.34 4.44 0.00 1.76 1.73 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.46 7.81 63 T 8.01 3.70 4.19 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 0.00 0.00 0.00 1.16 0.00 0.00 64 E 8.20 3.91 0.00 2.05 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 0.00 2.39 2.42 0.00 65 V 7.37 3.56 2.25 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 1.02 0.00 0.00 0.93 0.00 0.00 66 A 7.96 3.95 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 67 R 7.96 3.85 0.00 2.01 1.99 0.00 3.12 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 68 Q 7.97 3.99 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 69 V 8.21 3.91 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 0.94 0.00 0.00 0.94 0.00 0.00 70 G 8.19 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 71 R 8.61 3.91 0.00 1.85 2.03 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 72 A 8.02 3.95 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 73 L 7.79 3.84 0.00 1.93 1.73 1.04 1.09 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 74 A 7.80 4.00 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 75 E 8.54 4.00 0.00 2.13 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 0.00 2.31 2.36 0.00 76 K 8.07 3.85 0.00 1.92 1.91 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.79 7.81 77 A 8.85 3.95 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 78 L 8.68 3.61 0.00 1.69 1.78 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.71 3.99 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 80 L 8.50 4.22 0.00 1.78 1.72 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.34 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 82 I 7.22 4.05 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 1.41 0.86 0.93 0.00 0.00 83 K 8.05 4.11 0.00 1.80 1.76 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.43 7.81 84 Q 7.56 4.89 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.46 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 85 V 7.84 4.40 2.27 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 0.74 0.00 0.00 1.01 0.00 0.00 86 A 8.61 4.83 1.21 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 0.00 0.00 87 F 9.01 4.83 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 88 D 8.01 4.40 0.00 2.52 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 89 R 8.75 3.59 0.00 1.96 1.90 0.00 3.54 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 90 G 7.72 3.36 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 0.00 91 P 0.00 4.38 0.00 2.13 1.45 0.00 3.65 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.60 0.00 92 Y 7.07 3.60 0.00 3.22 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 93 K 6.41 3.31 0.00 2.14 2.01 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.44 7.81 94 Y 5.49 3.90 0.00 2.70 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 95 H 8.38 4.15 0.00 3.02 3.18 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.73 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 0.00 0.00 0.00 97 R 9.08 3.93 0.00 1.93 2.05 0.00 3.28 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 98 V 9.28 3.33 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 0.53 0.00 0.00 0.06 0.00 0.00 99 K 8.35 4.26 0.00 1.85 1.80 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.53 7.81 100 A 7.34 4.32 1.21 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 0.00 0.00 101 L 7.34 4.54 0.00 1.75 1.68 0.94 0.65 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 0.00 102 A 8.73 4.32 1.01 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 0.00 0.00 103 E 9.55 3.53 0.00 2.05 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 2.28 2.29 0.00 104 G 8.27 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 0.00 105 A 9.74 4.43 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 0.00 106 R 7.66 4.59 0.00 1.79 1.92 0.00 3.59 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.53 0.00 107 E 8.54 3.35 0.00 2.03 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 2.20 2.33 0.00 108 G 8.12 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 G 7.83 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 * Residues marked with a * may have inaccurate shift predictions.