NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.4387 8.2133 109.6686 47.3109 0.0000 176.8514 4 S 3.0246 8.0904 113.0507 56.2083 64.0815 170.6203 5 W 4.7293 8.1265 125.8117 57.5648 31.8142 176.6642 6 F 5.0966 7.5195 124.1088 57.0394 39.8650 175.0893 7 F 4.4487 8.4183 124.2913 55.4815 42.7926 173.9143 8 K 4.5531 8.5579 121.8907 54.8321 34.3396 175.6818 9 N 4.0520 8.1157 118.4834 54.4270 35.9904 175.6149 10 L 4.5033 7.4777 117.9908 52.3776 44.7461 176.3240 11 S 4.4352 8.3737 122.3284 57.3491 65.3732 174.8524 12 R 3.7101 8.3373 120.4782 59.7145 29.6340 178.2032 13 K 3.9649 7.9377 118.4278 59.2898 32.0668 178.1707 14 D 4.3738 7.7808 119.1735 56.6406 40.7797 178.5903 15 A 3.8371 7.9865 121.5901 55.0128 18.4072 179.2981 16 E 3.8870 8.2317 117.1575 59.8861 29.3727 179.9426 17 R 3.9169 7.5010 116.0987 59.1607 30.1347 178.7466 18 Q 3.9992 7.4637 118.3943 59.1284 29.5225 177.3037 19 L 4.0845 8.3684 120.2646 57.9244 41.7437 178.9044 20 L 4.2294 8.3827 114.9356 55.4729 41.6295 177.2149 21 A 4.2829 7.9682 122.6303 51.3455 19.1802 177.4498 22 P 4.1047 0.0000 0.0000 65.8764 31.4246 178.1191 23 G 3.8136 7.9429 103.4284 46.3721 0.0000 173.2486 24 N 4.7538 7.6637 117.4678 52.5818 39.8756 174.0589 25 T 4.7734 8.2478 109.7015 59.8416 72.1729 172.8364 26 H 4.7571 8.5417 118.2988 57.5218 29.2130 176.1266 27 G 4.1830 9.1716 111.6518 46.5125 0.0000 173.7062 28 S 4.7878 8.0812 117.0976 58.9714 63.8418 173.7037 29 F 5.9460 8.4606 118.0809 55.6194 41.4482 172.9971 30 L 4.7272 8.4792 115.7892 55.0898 43.3806 173.6932 31 I 5.1983 9.4465 123.0611 59.8683 39.4909 174.8336 32 R 5.0781 9.1447 123.3376 54.3276 32.6303 174.0140 33 E 4.8704 9.0405 122.8657 54.5218 31.6592 175.1178 34 S 4.1470 8.2627 121.8293 58.7855 62.5373 173.7660 35 E 4.1208 8.9174 127.8484 59.0526 29.7890 178.3561 36 S 4.1739 7.8941 110.2804 60.0898 63.4124 174.3577 37 T 4.3377 7.3940 118.5105 61.8276 70.1019 172.7877 38 A 4.0644 8.2078 129.2602 53.2110 19.0564 177.8218 39 G 3.7834 9.4902 109.9215 45.2607 0.0000 173.1460 40 S 4.6464 7.2315 113.7776 56.5287 64.3133 173.1000 41 F 5.6153 8.9039 125.6224 56.1654 42.3363 174.9920 42 S 5.1756 8.9682 115.7394 56.9809 67.3299 172.8886 43 L 4.9592 9.2936 126.9687 54.0834 43.8794 175.1941 44 S 5.3018 9.4149 122.4470 56.8019 65.9445 173.1555 45 V 5.0444 9.0874 124.9100 60.9456 34.7734 174.2388 46 R 4.6495 9.2187 128.2327 56.2947 31.4958 174.8751 47 D 4.8514 9.2426 125.2987 53.2119 45.1998 172.8032 48 F 5.1277 8.6934 118.8822 56.3676 42.2396 173.9241 49 D 4.8664 7.9967 127.1093 51.9841 42.8460 176.6028 50 Q 4.3789 8.8903 127.5507 58.9046 29.4242 177.0278 51 N 4.5867 8.2044 113.7580 55.1815 39.3317 176.0719 52 Q 4.1299 7.8610 114.3199 55.9483 30.2376 176.9094 53 G 3.2519 7.8258 104.8874 43.4863 0.0000 172.2867 54 E 4.4393 8.5353 122.2500 57.2484 30.1393 176.9694 55 V 4.5150 8.6573 117.3232 59.2818 36.2563 174.6420 56 V 4.7741 8.1195 120.3751 61.3093 33.8626 174.5341 57 K 4.4068 9.4808 128.1371 55.0783 34.4365 175.0106 58 H 5.3741 8.3484 120.9426 54.2711 31.0176 173.1045 59 Y 4.7174 9.0587 121.6391 55.7673 40.7738 175.3625 60 K 4.4758 8.7881 124.0957 56.4835 32.9713 176.4693 61 I 4.2107 8.4448 126.8499 60.5249 38.0417 176.0325 62 R 4.3239 8.7699 127.1460 55.7392 31.5785 175.2404 63 N 5.2598 8.7161 119.5682 52.0333 40.3371 174.8511 64 L 4.5974 9.1184 123.9964 53.6012 43.0449 177.8078 65 D 4.3902 8.7427 122.0524 57.3834 40.8777 177.2333 66 N 4.5779 7.9989 113.7997 52.8569 37.5773 175.5340 67 G 3.8302 8.0980 108.4832 45.3737 0.0000 174.2901 68 G 3.8504 7.9634 107.1318 46.6171 0.0000 171.9660 69 F 5.7914 8.9441 118.1576 56.0689 43.9108 173.7482 70 Y 5.1420 8.4209 113.6652 57.5606 40.5312 174.9256 71 I 3.9651 9.1395 122.0598 62.2796 38.9541 176.1276 72 S 4.9994 7.9107 113.5042 55.5531 64.6661 172.8883 73 P 4.2946 0.0000 0.0000 65.2167 31.3021 178.1003 74 R 4.0656 7.7944 116.5768 58.5066 30.1827 176.7653 75 I 4.2792 7.4701 116.3586 59.7234 41.1642 173.4794 76 T 4.8282 7.7870 116.1985 59.8131 71.8255 172.6140 77 F 4.8428 9.0179 120.0774 55.2245 42.7709 174.2295 78 P 4.4044 0.0000 0.0000 64.6034 31.9707 175.7050 79 G 4.5816 7.7515 105.2292 41.5392 0.0000 172.8421 80 L 3.9747 8.5176 118.7991 57.6311 41.6487 179.2997 81 H 4.2109 8.4144 115.9518 58.8973 28.5325 177.4810 82 E 4.0018 8.1428 119.9922 59.0848 29.6244 178.7682 83 L 2.0000 7.2219 120.3574 57.4168 41.9535 179.3369 84 V 3.0633 7.4345 118.1616 65.8353 31.1872 177.9044 85 R 3.7740 7.3728 117.0408 59.5417 30.2106 177.6910 86 H 4.1436 7.7742 117.7728 59.4636 30.0003 176.4277 87 Y 5.0707 7.2690 117.1372 58.8901 37.5316 177.0945 88 T 4.3692 7.2670 117.5033 63.3229 69.1671 174.9008 89 N 4.7190 7.0594 115.5498 52.2630 39.6915 174.5099 90 A 4.3216 6.9399 118.4521 51.4810 21.7960 177.7688 91 S 4.0681 8.4641 117.0251 59.7615 63.9234 174.1223 92 D 4.4417 9.1479 119.0088 55.2871 39.3646 172.7767 93 G 4.2318 8.4034 107.2454 46.1385 0.0000 174.6499 94 L 3.9668 8.4872 119.7598 54.1441 42.1188 177.9031 95 C 4.4277 8.6877 116.4233 61.5617 29.6601 173.7907 96 T 4.4414 6.8835 111.4749 60.5185 70.1585 172.4790 97 R 4.2229 8.3091 126.2907 56.1825 30.6454 176.1048 98 L 4.5315 8.5918 125.9936 54.5722 43.5460 176.1190 99 S 4.9272 9.2250 120.2062 58.0702 64.8891 175.2720 *100 R 4.1653 8.5197 122.3758 57.0469 30.1059 170.5424 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 3 G 8.21 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 4 S 8.09 3.02 0.00 3.90 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 5 W 8.13 4.73 0.00 3.31 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 6 F 7.52 5.10 0.00 2.15 2.47 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 7 F 8.42 4.45 0.00 2.86 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 8 K 8.56 4.55 0.00 1.64 1.73 0.00 1.99 0.00 0.00 2.11 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.71 7.81 9 N 8.12 4.05 0.00 2.83 2.89 0.00 0.00 6.64 7.78 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 10 L 7.48 4.50 0.00 1.52 1.48 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.37 4.44 0.00 4.02 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 12 R 8.34 3.71 0.00 1.76 1.88 0.00 3.09 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 1.58 1.21 0.00 13 K 7.94 3.96 0.00 1.83 1.75 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 14 D 7.78 4.37 0.00 2.75 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 15 A 7.99 3.84 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 16 E 8.23 3.89 0.00 2.15 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 2.39 2.64 0.00 17 R 7.50 3.92 0.00 1.85 1.95 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 18 Q 7.46 4.00 0.00 1.89 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 19 L 8.37 4.08 0.00 1.87 1.70 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.38 4.23 0.00 1.64 1.70 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.97 4.28 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 22 P 0.00 4.10 0.00 2.06 2.12 0.00 3.67 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 2.03 2.14 0.00 23 G 7.94 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 0.00 0.00 0.00 24 N 7.66 4.75 0.00 2.97 2.77 0.00 0.00 6.69 8.71 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 25 T 8.25 4.77 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 26 H 8.54 4.76 0.00 3.17 3.30 0.00 5.72 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 27 G 9.17 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 0.00 0.00 0.00 0.00 28 S 8.08 4.79 0.00 4.05 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 29 F 8.46 5.95 0.00 3.11 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 30 L 8.48 4.73 0.00 2.15 1.82 0.95 0.23 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 31 I 9.45 5.20 2.54 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 1.23 0.00 0.00 32 R 9.14 5.08 0.00 1.82 2.02 0.00 2.91 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 33 E 9.04 4.87 0.00 2.31 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 2.11 1.75 0.00 34 S 8.26 4.15 0.00 3.95 3.89 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 35 E 8.92 4.12 0.00 2.02 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 2.35 2.42 0.00 36 S 7.89 4.17 0.00 4.00 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 37 T 7.39 4.34 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 38 A 8.21 4.06 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 39 G 9.49 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 40 S 7.23 4.65 0.00 3.88 3.64 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 41 F 8.90 5.62 0.00 2.95 2.94 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 42 S 8.97 5.18 0.00 3.80 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 43 L 9.29 4.96 0.00 1.72 1.72 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.41 5.30 0.00 3.84 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 45 V 9.09 5.04 2.22 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 1.06 0.00 0.00 1.13 0.00 0.00 46 R 9.22 4.65 0.00 1.93 2.04 0.00 3.29 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 47 D 9.24 4.85 0.00 2.75 2.47 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 48 F 8.69 5.13 0.00 2.75 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 49 D 8.00 4.87 0.00 2.61 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 0.00 0.00 0.00 0.00 50 Q 8.89 4.38 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 51 N 8.20 4.59 0.00 2.84 2.79 0.00 0.00 6.88 7.69 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 52 Q 7.86 4.13 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.31 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 53 G 7.83 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 0.00 0.00 0.00 54 E 8.54 4.44 0.00 1.87 1.97 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 2.43 2.38 0.00 55 V 8.66 4.52 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 0.63 0.00 0.00 0.86 0.00 0.00 56 V 8.12 4.77 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 57 K 9.48 4.41 0.00 1.68 1.36 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.31 7.81 58 H 8.35 5.37 0.00 2.93 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 9.06 4.72 0.00 2.82 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 60 K 8.79 4.48 0.00 1.66 1.77 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.43 7.81 61 I 8.44 4.21 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.91 0.00 0.00 62 R 8.77 4.32 0.00 0.67 1.57 0.00 3.20 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.14 0.00 63 N 8.72 5.26 0.00 2.72 2.83 0.00 0.00 6.97 7.85 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 64 L 9.12 4.60 0.00 1.80 1.66 0.89 0.81 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 65 D 8.74 4.39 0.00 2.66 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 66 N 8.00 4.58 0.00 2.78 2.89 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.10 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 0.00 0.00 0.00 68 G 7.96 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 69 F 8.94 5.79 0.00 3.05 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 70 Y 8.42 5.14 0.00 3.32 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 71 I 9.14 3.97 1.83 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.84 0.00 0.00 72 S 7.91 5.00 0.00 3.93 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 73 P 0.00 4.29 0.00 2.12 2.12 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 74 R 7.79 4.07 0.00 1.88 2.01 0.00 3.21 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 75 I 7.47 4.28 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.14 0.99 0.00 0.00 76 T 7.79 4.83 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 0.90 0.00 0.00 77 F 9.02 4.84 0.00 3.28 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 78 P 0.00 4.40 0.00 2.27 2.33 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 79 G 7.75 4.58 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 0.00 80 L 8.52 3.97 0.00 1.73 1.72 0.09 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.41 4.21 0.00 3.33 3.47 0.00 5.81 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 82 E 8.14 4.00 0.00 2.40 2.31 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 2.54 2.52 0.00 83 L 7.22 2.00 0.00 1.44 1.51 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.43 3.06 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 0.18 0.00 0.00 -0.19 0.00 0.00 85 R 7.37 3.77 0.00 1.98 1.88 0.00 3.33 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 86 H 7.77 4.14 0.00 3.29 2.85 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.27 5.07 0.00 2.80 2.69 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 88 T 7.27 4.37 4.11 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 1.26 0.00 0.00 89 N 7.06 4.72 0.00 2.62 2.76 0.00 0.00 6.78 6.91 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 90 A 6.94 4.32 1.07 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 91 S 8.46 4.07 0.00 4.19 4.21 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 92 D 9.15 4.44 0.00 2.69 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 93 G 8.40 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 0.00 0.00 0.00 0.00 94 L 8.49 3.97 0.00 1.81 1.63 -0.20 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.69 4.43 0.00 3.27 3.20 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 0.00 96 T 6.88 4.44 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 1.25 0.00 0.00 97 R 8.31 4.22 0.00 1.85 1.79 0.00 3.24 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 98 L 8.59 4.53 0.00 1.07 0.67 -0.15 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 99 S 9.23 4.93 0.00 3.93 4.06 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 *100 R 8.52 4.17 0.00 1.85 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.00 * Residues marked with a * may have inaccurate shift predictions.