NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 I 4.1597 8.0249 121.4518 61.1019 38.5070 174.6333 1 L 4.6447 8.1486 124.7617 49.9629 44.2786 174.0164 2 P 4.4429 0.0000 0.0000 62.8054 32.7712 176.1852 3 D 4.5171 8.5717 119.8765 57.0239 41.1052 177.0493 4 S 4.7317 7.5864 112.3953 56.8284 66.9386 173.3388 5 V 4.2489 7.9948 121.4027 61.4552 34.5360 174.5675 6 D 4.4923 8.0678 125.3561 52.5718 42.3875 175.5749 7 W 4.1818 8.7774 127.4736 58.7914 29.7321 179.0290 8 R 4.1161 8.6333 118.3230 59.0060 29.6635 178.7406 9 E 4.0491 8.1441 116.6829 58.5205 29.4968 177.7069 10 K 4.3030 7.7664 116.2382 55.4756 32.2058 176.5914 11 G 3.9808 7.8223 106.1188 47.1457 0.0000 174.3706 12 C 4.7270 8.4269 113.8634 58.7903 28.6728 173.6516 13 V 4.3538 7.5780 119.5853 61.0769 33.4014 175.5979 14 T 4.3284 8.3457 117.4085 60.1745 70.2114 173.6118 15 E 4.0279 8.4267 121.9749 55.9780 30.0623 176.4630 16 V 3.6743 8.1978 124.2661 62.9323 32.1890 175.6683 17 K 4.3676 8.1734 125.5691 54.9412 32.7644 175.4852 18 Y 4.5016 7.8584 120.9614 55.6236 39.2206 176.0508 19 Q 4.0332 8.0235 126.5363 56.6621 29.9910 177.7266 20 G 3.4813 5.7636 105.5038 46.2814 0.0000 174.6100 21 S 4.3342 8.5672 117.9279 58.7343 63.5893 174.4375 22 C 4.6388 7.5721 121.9844 55.4003 44.7461 174.8325 23 G 3.8809 8.6172 118.2662 45.0847 0.0000 173.4918 24 A 4.4892 7.6135 117.4767 52.1214 20.3929 177.8971 25 C 4.1423 8.3639 119.4604 62.9726 29.3592 175.6431 26 W 4.1977 8.3645 118.3283 59.2802 27.6927 178.0907 27 A 3.2807 6.0339 120.9821 54.5618 17.6862 179.5028 28 F 3.9479 7.7010 116.3465 60.3982 38.9154 177.8934 29 S 4.0922 8.4616 112.9473 61.2909 62.2296 176.1000 30 A 3.9587 7.9813 123.3291 55.4304 18.2000 180.1010 31 V 3.6606 7.9205 111.1154 64.2790 31.1231 179.0443 32 G 3.6673 8.3195 105.4754 47.1278 0.0000 175.6174 33 A 3.9738 7.9313 123.3703 54.7943 18.3230 179.5539 34 L 3.9591 7.9438 118.8638 58.0578 41.8249 178.8332 35 E 3.9102 8.6912 119.0171 59.3225 29.3047 179.2469 36 A 4.0547 7.5927 119.4289 55.3109 18.4392 179.7422 37 Q 3.8461 7.6223 115.4380 58.8645 28.6776 178.7933 38 L 3.9342 8.2083 121.8164 57.9017 42.0365 178.9638 39 K 4.4273 7.9654 120.9345 59.1772 31.9766 178.8814 40 L 4.0918 8.1183 120.5196 57.9150 41.5128 179.7669 41 K 4.2724 7.8603 123.1551 58.6816 32.1686 181.7564 42 T 4.6739 8.4458 108.7909 60.8463 70.0791 175.6893 43 G 3.9677 8.4488 109.7835 45.0449 0.0000 173.0832 44 K 4.4854 7.7500 119.4105 54.2145 34.2172 174.9611 45 L 4.6741 8.4089 125.1907 53.4295 42.6004 175.7346 46 V 4.4011 8.0363 125.2530 60.8005 34.2514 174.9813 47 S 4.4363 8.7540 123.6922 58.6143 63.2689 173.8555 48 L 4.4264 8.7276 125.7459 53.0373 43.2868 177.0004 49 S 4.1240 8.2619 115.0262 57.9642 61.5819 174.5520 50 A 3.6782 8.1817 131.1639 54.6847 17.9577 178.6251 51 Q 3.7361 7.7481 117.8397 59.2153 29.1577 177.6098 52 N 4.2360 8.2275 118.2484 56.7952 38.8249 176.8768 53 L 3.9740 7.2553 118.7485 57.6986 41.5252 179.4062 54 V 3.7731 7.2856 116.8716 66.3928 31.5048 177.4772 55 D 4.5558 8.4206 117.4569 56.3739 40.8349 176.5914 56 C 4.7617 8.1365 115.2962 57.7303 37.9587 174.6348 57 S 4.4009 8.1059 116.6062 56.8881 61.2871 173.5269 *1057 T 4.8111 7.0763 117.4653 61.3316 70.1596 175.9552 *2057 E 4.2114 8.9648 118.8689 56.5232 31.1681 176.2840 *3057 K 4.4007 7.8446 121.8905 54.8242 32.4686 177.0449 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 0 I 8.02 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.91 0.00 0.00 1 L 8.15 4.64 0.00 1.69 1.56 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.44 0.00 2.30 2.02 0.00 3.77 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 1.94 0.00 3 D 8.57 4.52 0.00 2.68 2.76 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 4 S 7.59 4.73 0.00 3.76 3.67 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 5 V 7.99 4.25 2.07 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 0.48 0.00 0.00 0.86 0.00 0.00 6 D 8.07 4.49 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 W 8.78 4.18 0.00 3.49 3.31 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 8 R 8.63 4.12 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 9 E 8.14 4.05 0.00 2.01 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 2.32 2.25 0.00 10 K 7.77 4.30 0.00 1.99 1.83 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.11 7.81 11 G 7.82 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 12 C 8.43 4.73 0.00 3.26 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 13 V 7.58 4.35 2.15 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 0.90 0.00 0.00 1.09 0.00 0.00 14 T 8.35 4.33 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 1.30 0.00 0.00 15 E 8.43 4.03 0.00 1.95 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 0.00 2.29 2.30 0.00 16 V 8.20 3.67 2.06 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 0.81 0.00 0.00 0.92 0.00 0.00 17 K 8.17 4.37 0.00 1.08 1.38 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.56 7.81 18 Y 7.86 4.50 0.00 2.77 2.76 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 19 Q 8.02 4.03 0.00 2.44 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.57 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 20 G 5.76 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.33 0.00 3.98 3.97 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 22 C 7.57 4.64 0.00 2.96 3.19 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 0.00 23 G 8.62 3.88 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 0.00 0.00 0.00 24 A 7.61 4.49 1.10 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 0.00 0.00 25 C 8.36 4.14 0.00 3.24 3.31 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 26 W 8.36 4.20 0.00 3.69 3.40 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 27 A 6.03 3.28 0.07 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 28 F 7.70 3.95 0.00 3.25 3.03 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 0.00 0.00 0.00 29 S 8.46 4.09 0.00 4.00 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 30 A 7.98 3.96 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 31 V 7.92 3.66 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 0.62 0.00 0.00 0.98 0.00 0.00 32 G 8.32 3.67 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 0.00 0.00 0.00 33 A 7.93 3.97 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.94 3.96 0.00 1.76 1.76 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.69 3.91 0.00 2.16 1.99 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 2.55 2.54 0.00 36 A 7.59 4.05 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.62 3.85 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 38 L 8.21 3.93 0.00 1.79 1.83 0.91 0.68 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 39 K 7.97 4.43 0.00 1.94 2.00 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.44 7.81 40 L 8.12 4.09 0.00 1.81 1.75 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.86 4.27 0.00 1.87 1.71 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.31 7.81 42 T 8.45 4.67 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 1.21 0.00 0.00 43 G 8.45 3.97 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 0.00 0.00 0.00 44 K 7.75 4.49 0.00 1.77 1.70 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 45 L 8.41 4.67 0.00 1.60 1.60 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.04 4.40 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 0.90 0.00 0.00 0.93 0.00 0.00 47 S 8.75 4.44 0.00 3.92 3.82 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 48 L 8.73 4.43 0.00 1.56 1.54 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.26 4.12 0.00 3.81 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 50 A 8.18 3.68 0.25 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 51 Q 7.75 3.74 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 52 N 8.23 4.24 0.00 2.76 2.93 0.00 0.00 7.23 6.86 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 53 L 7.26 3.97 0.00 1.53 1.50 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.29 3.77 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 0.88 0.00 0.00 0.70 0.00 0.00 55 D 8.42 4.56 0.00 2.65 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 56 C 8.14 4.76 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 57 S 8.11 4.40 0.00 3.97 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 *1057 T 7.08 4.81 4.40 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 1.35 0.00 0.00 *2057 E 8.96 4.21 0.00 2.12 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 0.00 2.28 2.35 0.00 *3057 K 7.84 4.40 0.00 1.80 1.62 0.00 1.73 0.00 0.00 2.40 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.97 7.81 * Residues marked with a * may have inaccurate shift predictions.