NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3446 8.1727 124.0529 54.9415 34.1340 173.7396 3 K 4.6691 8.6727 126.4312 53.3289 33.9950 173.2867 4 A 4.8204 9.1862 130.4778 50.5343 21.4821 175.2988 5 V 4.8040 9.0784 121.8584 61.0316 34.7392 174.9531 6 I 4.2545 8.5161 127.4272 59.6303 40.4222 174.8575 7 N 4.9762 8.8116 125.9511 51.4859 37.6895 175.6387 8 G 4.0188 9.1542 114.2445 48.5935 0.0000 173.7465 9 E 4.0608 8.1402 116.3395 58.7264 29.7415 177.7963 10 Q 4.1314 8.1000 117.3985 57.0969 29.1575 175.9554 11 I 3.9890 7.5373 120.0500 61.1038 37.0824 175.8939 12 R 4.5296 8.8920 124.3898 55.7250 31.4814 176.1002 13 S 4.7712 7.2283 113.2504 57.2249 66.4327 175.8859 14 I 3.7337 8.1014 121.8118 64.1219 37.6137 177.6947 15 S 4.1179 8.0850 113.6993 61.5499 62.1773 175.7357 16 D 4.3343 8.3661 121.8764 57.1660 40.5371 178.5326 17 L 3.8430 7.8159 120.4989 58.5267 42.0728 178.8319 18 H 4.3055 8.4653 116.2965 59.0591 28.5359 177.8193 19 Q 4.0581 8.4235 120.0307 59.2410 28.5246 179.1353 20 T 3.8354 8.2546 117.0725 66.6917 68.5229 176.8161 21 L 3.9521 7.9062 120.8841 57.4574 41.5365 179.4793 22 K 3.6430 8.2465 119.8479 59.2281 32.1609 179.1015 23 K 3.9095 7.7554 118.7188 59.6684 31.8736 179.1492 24 E 3.9614 7.9387 117.2980 58.8546 29.4698 178.5748 25 L 4.3714 7.8157 115.3284 52.9892 43.2031 176.0373 26 A 3.7156 7.5595 121.0468 53.1782 16.3401 177.2242 27 L 4.0041 7.7171 120.5616 53.1379 43.1543 176.2802 28 P 3.8469 0.0000 0.0000 62.8999 31.5163 178.4021 *29 E 4.0594 8.2234 116.5658 59.0067 29.7725 178.8974 30 Y 4.3023 7.4463 114.2351 58.3597 38.1428 174.5283 31 Y 4.0774 7.4034 122.5015 57.2158 38.2837 176.9631 32 G 3.2607 8.5070 116.4624 46.0335 0.0000 172.2043 33 E 3.0287 5.9000 119.4324 56.2395 27.5370 173.4314 34 N 4.8513 6.7193 114.4112 50.4796 42.2308 174.5977 35 L 4.1328 8.4479 120.2739 58.0148 41.6296 179.6111 36 D 4.4432 8.2252 118.2324 57.2874 40.8277 178.3565 37 A 4.0758 8.7831 121.7658 55.0197 18.3622 179.3555 38 L 4.1124 8.2528 118.8097 58.2133 42.2049 178.8812 39 W 4.3049 8.4256 128.2330 60.5552 30.6003 177.2100 40 D 4.2284 8.2606 117.6068 57.3404 40.6525 177.9504 41 A 4.0442 8.3077 121.4216 55.3644 18.1497 179.6283 42 L 3.9151 7.7034 116.1254 57.7133 41.8346 179.0716 43 T 4.3848 7.4520 106.4515 61.7799 69.2066 176.1290 44 G 4.2076 7.8849 110.5215 44.7864 0.0000 173.5903 45 W 5.0803 8.1201 128.3437 58.3867 36.3757 175.4523 46 V 3.7994 8.1159 111.3235 61.1703 31.5776 175.6514 47 E 4.3713 8.0049 119.1495 55.3970 31.1129 175.0722 48 Y 4.9303 7.9015 116.6876 55.1603 41.7081 173.7979 49 P 4.9036 0.0000 0.0000 63.0597 32.4642 175.1696 50 L 4.8560 9.5515 123.2852 53.2917 45.5746 175.1380 51 V 4.7604 8.3585 124.8339 61.0655 34.3538 173.7079 52 L 4.9561 9.1770 131.0372 53.3671 44.1751 174.4948 53 E 4.9305 9.3594 128.9099 54.4348 31.9198 174.5275 54 W 5.0269 9.0847 135.0000 56.0012 32.1847 174.9143 55 R 4.5481 9.1052 127.0804 55.3574 31.9686 176.6640 56 Q 3.6037 8.6716 117.9653 56.5065 26.6700 175.4954 57 F 3.7885 8.4234 120.8698 61.7029 39.5026 175.0290 58 E 3.9403 8.5472 120.4203 60.2161 29.3143 179.3142 59 Q 4.0308 8.0755 120.1622 60.3021 28.0249 180.3728 60 S 4.4067 7.7012 114.2435 60.2891 63.3019 176.3024 61 K 3.8168 7.5552 124.0889 59.4149 31.7339 178.1026 62 Q 4.0371 7.7469 121.0301 59.2552 28.9097 179.2810 63 L 4.8667 7.4354 122.2356 55.6268 42.4239 179.5645 64 T 4.8613 7.8927 113.6610 63.8223 75.4625 176.3350 65 E 3.7070 8.2313 125.1288 58.5844 27.7295 175.5839 66 N 4.8030 9.0664 127.4571 53.1531 38.4728 177.7701 67 G 3.7393 8.4805 106.5058 48.9890 0.0000 175.8768 68 A 4.3578 8.0521 123.4196 54.7428 18.2972 179.1423 69 E 4.0437 8.2305 117.1413 59.7673 29.9032 178.9326 70 S 4.1405 7.9677 114.9933 61.6106 62.9772 177.0326 71 V 3.8151 8.2093 120.7775 66.0086 31.5630 177.5084 72 L 4.3851 8.5238 120.2821 58.7819 41.8930 178.9564 73 Q 4.1288 8.9695 119.4413 58.8909 28.9210 178.2433 74 V 3.7467 8.1458 119.7861 65.9470 31.5673 177.9834 75 F 4.1379 8.5067 117.1717 60.7610 38.7961 177.9389 76 R 4.1447 8.2831 117.3141 59.0582 29.8902 179.0821 77 E 4.0151 8.4745 118.4403 59.4521 29.4042 179.0810 78 A 4.2515 8.4936 120.8732 55.0898 18.3743 179.6021 79 K 4.0551 8.3075 117.8523 59.7681 32.1359 178.8143 80 A 4.0477 8.2966 120.0936 55.2899 18.3637 178.8806 81 E 4.2205 8.0342 114.7235 56.8197 29.8022 177.1773 82 G 3.8109 8.0788 105.9782 44.9264 0.0000 174.4141 83 A 3.4216 7.3634 122.4590 52.4997 19.0956 178.0296 84 D 4.5755 8.0008 122.0496 53.2727 40.6381 173.6947 85 I 5.8801 7.8741 121.9840 57.8997 41.7180 173.7646 86 T 4.7098 8.6567 124.6309 61.8534 71.2449 172.8092 87 I 4.9191 8.4991 126.8972 59.5136 39.8219 174.9687 88 I 4.3818 8.8140 127.8719 59.6265 39.7980 174.8604 89 L 4.8431 8.6698 130.8311 53.7761 42.2333 177.7949 *90 S 4.2749 8.4567 119.6369 58.1990 62.9897 171.1193 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 K 8.17 4.34 0.00 1.47 1.77 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 3 K 8.67 4.67 0.00 1.81 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.51 7.81 4 A 9.19 4.82 1.18 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 5 V 9.08 4.80 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 0.78 0.00 0.00 0.91 0.00 0.00 6 I 8.52 4.25 1.16 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.16 0.49 0.00 0.00 7 N 8.81 4.98 0.00 2.81 3.14 0.00 0.00 6.94 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 8 G 9.15 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 0.00 0.00 0.00 9 E 8.14 4.06 0.00 2.10 2.13 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 2.28 2.29 0.00 10 Q 8.10 4.13 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 11 I 7.54 3.99 1.99 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 1.53 0.71 0.94 0.00 0.00 12 R 8.89 4.53 0.00 1.73 1.93 0.00 3.36 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 13 S 7.23 4.77 0.00 3.99 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 14 I 8.10 3.73 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.95 0.00 0.00 15 S 8.08 4.12 0.00 3.94 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 16 D 8.37 4.33 0.00 3.03 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 17 L 7.82 3.84 0.00 1.78 1.83 0.53 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.47 4.31 0.00 3.28 3.48 0.00 5.68 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 19 Q 8.42 4.06 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 20 T 8.25 3.84 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 1.08 0.00 0.00 21 L 7.91 3.95 0.00 1.88 1.67 1.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.25 3.64 0.00 1.85 1.97 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.37 7.81 23 K 7.76 3.91 0.00 1.84 1.80 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.35 7.81 24 E 7.94 3.96 0.00 1.88 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 2.38 2.64 0.00 25 L 7.82 4.37 0.00 1.63 1.64 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.56 3.72 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 27 L 7.72 4.00 0.00 1.18 0.91 -0.26 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 3.85 0.00 0.49 0.49 0.00 2.61 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.44 0.00 *29 E 8.22 4.06 0.00 1.99 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 2.23 1.87 0.00 30 Y 7.45 4.30 0.00 2.95 3.07 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 31 Y 7.40 4.08 0.00 2.85 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 32 G 8.51 3.26 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 0.00 33 E 5.90 3.03 0.00 2.04 1.81 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 2.08 2.10 0.00 34 N 6.72 4.85 0.00 2.88 2.75 0.00 0.00 6.11 6.67 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 35 L 8.45 4.13 0.00 1.75 1.83 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.23 4.44 0.00 2.89 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 37 A 8.78 4.08 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 38 L 8.25 4.11 0.00 2.12 2.06 0.89 1.00 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 39 W 8.43 4.30 0.00 3.46 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 40 D 8.26 4.23 0.00 3.06 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 41 A 8.31 4.04 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 42 L 7.70 3.92 0.00 1.57 1.63 0.22 0.47 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 43 T 7.45 4.38 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 0.02 0.00 0.00 44 G 7.88 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 0.00 0.00 0.00 45 W 8.12 5.08 0.00 3.33 3.06 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 46 V 8.12 3.80 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 0.75 0.00 0.00 0.52 0.00 0.00 47 E 8.00 4.37 0.00 1.96 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 0.00 2.10 2.18 0.00 48 Y 7.90 4.93 0.00 2.95 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 49 P 0.00 4.90 0.00 2.14 2.31 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 50 L 9.55 4.86 0.00 1.72 1.76 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.36 4.76 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 0.97 0.00 0.00 0.96 0.00 0.00 52 L 9.18 4.96 0.00 1.55 1.38 0.63 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.36 4.93 0.00 2.03 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 0.00 2.24 2.27 0.00 54 W 9.08 5.03 0.00 3.51 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 55 R 9.11 4.55 0.00 1.89 1.89 0.00 3.35 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 56 Q 8.67 3.60 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 57 F 8.42 3.79 0.00 2.83 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 58 E 8.55 3.94 0.00 2.18 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 2.41 2.46 0.00 59 Q 8.08 4.03 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 60 S 7.70 4.41 0.00 4.14 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 0.00 61 K 7.56 3.82 0.00 1.53 1.89 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.32 7.81 62 Q 7.75 4.04 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 7.22 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 63 L 7.44 4.87 0.00 1.81 1.58 0.92 0.70 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 64 T 7.89 4.86 4.54 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 1.33 0.00 0.00 65 E 8.23 3.71 0.00 2.40 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 2.20 1.86 0.00 66 N 9.07 4.80 0.00 2.64 2.79 0.00 0.00 6.47 7.57 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 67 G 8.48 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 68 A 8.05 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.23 4.04 0.00 2.19 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 2.44 2.51 0.00 70 S 7.97 4.14 0.00 4.12 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 71 V 8.21 3.82 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 1.39 0.00 0.00 1.18 0.00 0.00 72 L 8.52 4.39 0.00 1.72 1.93 0.94 -0.20 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 73 Q 8.97 4.13 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 74 V 8.15 3.75 2.33 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 1.22 0.00 0.00 1.08 0.00 0.00 75 F 8.51 4.14 0.00 3.59 3.26 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 76 R 8.28 4.14 0.00 1.99 2.05 0.00 3.11 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 77 E 8.47 4.02 0.00 2.41 2.14 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 2.27 2.30 0.00 78 A 8.49 4.25 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 79 K 8.31 4.06 0.00 2.08 2.09 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.51 7.81 80 A 8.30 4.05 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 81 E 8.03 4.22 0.00 2.26 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 0.00 2.45 2.62 0.00 82 G 8.08 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 83 A 7.36 3.42 0.92 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 0.00 0.00 84 D 8.00 4.58 0.00 2.68 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 85 I 7.87 5.88 2.17 0.00 0.00 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 1.51 1.67 1.10 0.00 0.00 86 T 8.66 4.71 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 1.24 0.00 0.00 87 I 8.50 4.92 1.90 0.00 0.00 1.00 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 0.67 0.94 0.00 0.00 88 I 8.81 4.38 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 1.24 0.94 0.94 0.00 0.00 89 L 8.67 4.84 0.00 1.46 1.55 0.69 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *90 S 8.46 4.27 0.00 3.67 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 * Residues marked with a * may have inaccurate shift predictions.