NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3179 8.1727 122.0538 56.2201 33.7925 173.8301 2 K 4.9854 8.7419 128.7395 54.0015 34.9548 173.1990 3 A 4.8512 9.1490 129.4784 50.1899 21.7067 174.7335 4 V 4.7356 8.6936 123.0172 61.1444 34.0458 174.9321 5 I 4.1506 8.7843 128.4807 59.7065 39.7602 174.6589 6 N 4.7266 8.6936 125.9950 51.3968 37.9788 175.8023 7 G 4.1236 9.2589 114.2040 47.6581 0.0000 173.2526 8 E 4.3409 8.0392 114.9432 57.4448 29.9070 177.3182 9 Q 4.2252 7.9894 117.7366 56.4878 29.3463 175.6457 10 I 4.0803 7.3819 120.0341 60.7971 37.2033 175.7939 11 R 4.5600 9.1760 124.1246 55.5855 31.0666 176.0771 12 S 4.5811 7.2877 112.0461 56.4496 66.5826 175.7179 13 I 3.7451 8.1581 121.8567 63.9520 37.7127 177.9397 14 S 4.1256 8.0335 113.9485 61.4630 62.3251 175.5545 15 D 4.3779 8.0957 121.6060 57.1854 40.4417 178.6429 16 L 3.8294 7.6795 120.8145 58.6012 42.1786 178.7554 17 H 4.2469 8.2255 116.1240 59.0807 28.5415 177.8890 18 Q 4.1237 8.3206 119.8607 59.1928 28.5165 178.9902 19 T 3.8344 8.0750 116.8507 66.4405 68.4584 176.7953 20 L 3.8521 8.0431 121.0854 57.5773 41.6961 179.1382 21 K 3.4117 8.2671 119.9772 59.4775 32.1218 178.5590 22 K 3.8626 7.7223 119.0127 59.7433 32.0313 178.7774 23 E 3.9998 8.5192 117.5767 58.5536 29.4216 178.3309 24 L 4.3872 8.0885 116.4218 53.1318 42.5683 175.9471 25 A 3.6804 7.6772 120.3767 52.9585 16.4936 177.6828 26 L 3.6686 7.4754 119.5161 54.3448 42.7006 175.8778 27 P 3.7145 0.0000 0.0000 62.9248 31.3656 177.9737 28 E 4.0135 8.4171 116.4986 59.0806 29.6518 177.7952 29 Y 4.4669 7.2454 113.5118 57.0478 38.3169 174.5305 30 Y 4.0055 7.7937 122.5793 57.9945 38.9071 177.2545 31 G 3.2222 8.4048 115.2858 45.9895 0.0000 172.5766 32 E 3.0872 5.9000 118.7869 55.9628 27.6592 173.5539 33 N 4.8211 6.7087 114.0660 50.5335 41.9335 174.6227 34 L 4.1192 8.4541 120.2871 58.1670 41.7033 179.5374 35 D 4.4565 8.2324 118.0655 57.2151 40.9130 178.4715 36 A 4.0338 8.4529 121.2706 55.2355 18.4226 179.3977 37 L 4.1296 8.6265 119.2532 58.2247 42.1925 178.9868 38 W 4.2615 8.8542 128.7804 60.4708 30.6254 177.4928 39 D 4.3233 8.4407 118.0340 57.2401 40.6138 178.1207 40 A 4.1391 8.0670 121.2276 55.0297 18.1118 179.6840 41 L 3.8709 7.7199 117.1684 57.5238 41.8427 178.8696 42 T 4.3281 7.3725 106.7795 61.7623 69.4132 175.9996 43 G 4.2408 8.0886 111.6060 43.7101 0.0000 173.1315 44 W 4.8507 8.1093 129.8680 58.2010 38.3198 175.1105 45 V 3.8093 8.5633 113.4718 61.6213 31.6093 176.2043 46 E 4.2503 8.0394 118.1726 54.9426 30.8382 176.1671 47 Y 4.9247 7.8363 119.1363 54.5929 41.4827 173.7035 48 P 5.0492 0.0000 0.0000 62.8983 32.7478 175.1673 49 L 5.0548 9.1638 122.3176 53.3308 45.6369 175.1390 50 V 4.6904 9.0980 125.9081 61.1580 33.9718 173.9003 51 L 4.8202 9.2070 131.5565 53.5653 43.8696 174.6506 52 E 4.9762 9.3997 129.4167 54.4390 31.6540 174.5377 53 W 5.1638 9.3597 135.0000 56.0479 32.3362 175.0517 54 R 4.7642 9.3706 127.3802 54.9717 31.9743 176.4380 55 Q 3.2971 8.6396 117.2786 56.5444 26.7059 175.5640 56 F 3.8764 8.3607 121.0389 61.7551 39.5409 175.5899 57 E 3.9702 8.2889 117.3905 59.3253 28.7844 179.2191 58 Q 3.9503 8.0379 117.7092 58.9129 28.4776 178.2019 59 S 4.1300 8.1297 113.6945 61.6623 62.0981 176.1892 60 K 3.8856 7.3638 122.8604 58.8650 31.6282 178.6826 61 Q 4.0028 7.5988 117.4540 58.7201 28.8359 178.1488 62 L 4.4469 7.5007 116.6832 55.2353 42.4038 177.7339 63 T 4.4515 7.6323 111.4013 60.6034 70.5707 173.7748 64 E 3.7959 8.9727 119.0937 57.8841 26.0641 180.6553 65 N 4.6321 8.4184 117.0578 52.9782 37.9720 178.5750 66 G 3.7781 7.9021 103.5589 48.5174 0.0000 175.7814 67 A 4.3404 8.0291 122.6739 55.0229 18.4062 179.1783 68 E 4.0490 8.2220 117.3441 59.6166 30.0118 178.8114 69 S 4.1961 7.8171 114.3879 61.7666 62.8073 177.0634 70 V 3.8045 7.9286 120.1691 66.0892 31.4293 177.5930 71 L 4.2920 8.5896 120.4751 58.6058 41.8723 178.7648 72 Q 4.0845 8.8473 119.6060 59.1348 28.9344 178.5549 73 V 3.7791 8.0045 119.1585 66.0109 31.4774 178.0922 74 F 4.1894 8.4243 117.6851 60.5865 38.6570 177.9355 75 R 4.0958 8.3444 117.9375 59.2686 29.8445 178.9350 76 E 4.0802 8.5587 118.3954 59.2369 29.4881 179.1051 77 A 4.0702 8.4377 120.9604 54.9176 18.4101 179.6111 78 K 4.0079 8.2780 119.1427 59.1413 32.1531 178.6117 79 A 4.0679 7.9915 119.7439 55.4782 18.3547 179.0005 80 E 4.2581 8.0713 112.4574 57.1947 29.4022 178.0568 81 G 3.9150 8.4767 108.6503 44.6686 0.0000 174.3459 82 A 3.4871 8.2414 122.6877 51.9325 19.6515 176.8375 83 D 4.7370 7.7840 121.5484 52.8948 40.2742 173.1247 84 I 5.0945 7.7133 120.9900 59.2822 40.1207 174.6516 85 T 4.5773 9.0403 124.3869 62.0180 70.4855 173.4920 86 I 4.8598 8.4151 127.3359 59.6429 39.3398 175.0317 87 I 4.3887 8.9178 128.1861 59.5765 39.8134 174.7473 88 L 4.8015 8.6445 130.5805 53.7024 42.4229 177.6910 *89 S 4.2693 8.7065 120.0284 58.2012 62.9900 171.0587 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 K 8.17 4.32 0.00 1.84 1.92 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.43 7.81 2 K 8.74 4.99 0.00 1.85 1.63 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.59 7.81 3 A 9.15 4.85 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 4 V 8.69 4.74 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 0.79 0.00 0.00 0.91 0.00 0.00 5 I 8.78 4.15 1.16 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 0.74 0.19 0.35 0.00 0.00 6 N 8.69 4.73 0.00 2.87 3.11 0.00 0.00 6.95 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 7 G 9.26 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 0.00 0.00 0.00 0.00 8 E 8.04 4.34 0.00 2.19 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 2.24 0.00 9 Q 7.99 4.23 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 10 I 7.38 4.08 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.94 0.00 0.00 11 R 9.18 4.56 0.00 1.83 1.91 0.00 3.20 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 12 S 7.29 4.58 0.00 4.00 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 13 I 8.16 3.75 1.92 0.00 0.00 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 1.63 1.36 0.95 0.00 0.00 14 S 8.03 4.13 0.00 3.94 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 15 D 8.10 4.38 0.00 2.95 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 16 L 7.68 3.83 0.00 1.69 1.85 0.55 1.19 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 17 H 8.23 4.25 0.00 3.32 3.52 0.00 5.67 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 18 Q 8.32 4.12 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 19 T 8.07 3.83 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 1.08 0.00 0.00 20 L 8.04 3.85 0.00 1.90 1.66 1.06 0.94 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 21 K 8.27 3.41 0.00 1.92 2.00 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.31 7.81 22 K 7.72 3.86 0.00 1.89 1.98 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.35 7.81 23 E 8.52 4.00 0.00 1.90 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 2.41 2.56 0.00 24 L 8.09 4.39 0.00 1.56 1.65 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.68 3.68 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 26 L 7.48 3.67 0.00 1.15 0.88 -0.17 0.55 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 27 P 0.00 3.71 0.00 0.49 0.49 0.00 2.69 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 1.06 0.60 0.00 28 E 8.42 4.01 0.00 2.01 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 0.00 2.23 1.88 0.00 29 Y 7.25 4.47 0.00 3.00 3.10 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 0.00 0.00 0.00 0.00 30 Y 7.79 4.01 0.00 2.72 2.78 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 31 G 8.40 3.22 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 0.00 0.00 0.00 0.00 32 E 5.90 3.09 0.00 1.73 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 2.14 2.09 0.00 33 N 6.71 4.82 0.00 2.88 2.74 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 34 L 8.45 4.12 0.00 1.76 1.83 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.23 4.46 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 36 A 8.45 4.03 1.23 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 37 L 8.63 4.13 0.00 2.11 2.03 0.85 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.85 4.26 0.00 3.42 3.28 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 39 D 8.44 4.32 0.00 3.05 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 40 A 8.07 4.14 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 41 L 7.72 3.87 0.00 1.48 1.55 0.24 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.37 4.33 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 -0.07 0.00 0.00 43 G 8.09 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 0.00 0.00 0.00 0.00 44 W 8.11 4.85 0.00 3.44 3.13 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 45 V 8.56 3.81 1.82 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 0.73 0.00 0.00 0.87 0.00 0.00 46 E 8.04 4.25 0.00 1.98 1.72 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 2.18 1.89 0.00 47 Y 7.84 4.92 0.00 3.05 2.92 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 48 P 0.00 5.05 0.00 2.15 2.33 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 49 L 9.16 5.05 0.00 1.83 1.85 1.03 1.00 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 50 V 9.10 4.69 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 0.99 0.00 0.00 0.96 0.00 0.00 51 L 9.21 4.82 0.00 1.62 1.44 0.67 -0.28 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 52 E 9.40 4.98 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 2.26 2.27 0.00 53 W 9.36 5.16 0.00 3.49 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 54 R 9.37 4.76 0.00 1.85 1.89 0.00 3.36 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 55 Q 8.64 3.30 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 56 F 8.36 3.88 0.00 2.82 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 57 E 8.29 3.97 0.00 2.03 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 0.00 2.47 2.39 0.00 58 Q 8.04 3.95 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 59 S 8.13 4.13 0.00 4.07 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 60 K 7.36 3.89 0.00 1.52 1.81 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.23 7.81 61 Q 7.60 4.00 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 62 L 7.50 4.45 0.00 1.63 1.72 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.63 4.45 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 1.30 0.00 0.00 64 E 8.97 3.80 0.00 2.15 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 2.13 1.85 0.00 65 N 8.42 4.63 0.00 2.80 2.98 0.00 0.00 6.98 7.64 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 66 G 7.90 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 67 A 8.03 4.34 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 0.00 0.00 0.00 0.00 0.00 68 E 8.22 4.05 0.00 2.20 2.18 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 2.43 2.51 0.00 69 S 7.82 4.20 0.00 4.22 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 70 V 7.93 3.80 2.65 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 1.44 0.00 0.00 1.14 0.00 0.00 71 L 8.59 4.29 0.00 1.77 1.91 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.85 4.08 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 73 V 8.00 3.78 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.08 0.00 0.00 74 F 8.42 4.19 0.00 3.44 3.23 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 75 R 8.34 4.10 0.00 2.11 2.04 0.00 3.32 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 1.79 1.90 0.00 76 E 8.56 4.08 0.00 2.23 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 2.37 2.72 0.00 77 A 8.44 4.07 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 78 K 8.28 4.01 0.00 2.04 2.08 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 79 A 7.99 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.26 0.00 2.32 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 2.47 2.70 0.00 81 G 8.48 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.24 3.49 0.60 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 83 D 7.78 4.74 0.00 2.76 2.57 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 0.00 0.00 0.00 0.00 84 I 7.71 5.09 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.70 1.13 0.00 0.00 85 T 9.04 4.58 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 1.23 0.00 0.00 86 I 8.42 4.86 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.89 0.00 0.00 87 I 8.92 4.39 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 0.79 0.93 0.00 0.00 88 L 8.64 4.80 0.00 1.40 1.46 0.60 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *89 S 8.71 4.27 0.00 3.64 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.