NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4404 8.1514 120.3230 55.0992 33.1616 177.8241 2 G 3.4537 9.1933 123.8194 48.0539 0.0000 172.9986 3 K 4.3865 8.0729 118.8225 56.7731 32.7070 176.2837 4 V 4.0457 7.2506 118.3092 65.2303 31.9926 177.0402 5 H 4.5022 8.0756 115.5570 58.6867 28.7621 177.8088 6 G 3.5091 7.9151 105.6189 46.7707 0.0000 175.0687 7 S 4.4529 7.9781 114.3382 59.7064 62.7925 175.3633 8 L 4.0956 7.7439 122.9306 57.5093 41.9200 178.4473 9 A 4.0019 8.6122 121.3559 55.2663 18.2019 179.6058 10 R 4.0105 7.5363 112.9929 58.1345 30.4426 178.6692 11 A 4.2346 7.5874 120.7884 54.9281 18.2452 179.5992 12 G 3.7830 8.4575 102.9941 46.4287 0.0000 174.5998 13 K 4.4880 8.3925 119.3640 56.2370 32.2670 177.2711 14 V 4.1873 7.3819 117.9292 63.9895 33.7386 174.6920 15 R 4.4552 7.7397 117.2820 55.8711 33.1437 172.9807 16 G 4.1786 7.6794 111.7681 45.4548 0.0000 173.2114 17 Q 4.5808 7.9029 117.2934 53.9375 31.8202 174.7496 18 T 3.9117 8.0897 116.6621 65.0179 69.1004 173.6352 19 P 4.5206 0.0000 0.0000 64.1264 32.7777 176.3701 20 K 4.2146 7.6367 116.7790 54.9561 33.8370 176.1046 21 V 3.4264 8.6639 118.3814 64.4968 31.8679 175.5051 22 A 4.0923 6.9915 127.9495 50.6963 21.8087 175.7951 23 K 4.8255 8.4369 115.8474 55.6896 35.2243 174.2608 24 Q 4.2706 8.2087 118.9225 57.7138 30.1449 177.0909 25 D 4.5413 8.0945 120.1546 55.7412 41.8853 177.9199 26 K 4.4926 7.6639 117.2759 56.2525 32.3250 177.5307 27 K 4.4435 7.8455 120.0051 57.6298 34.0449 178.4905 28 K 4.0046 8.4496 118.9825 59.3697 32.0262 179.6887 29 K 3.9799 8.3880 119.1825 59.0145 31.9989 177.6452 30 P 4.2819 0.0000 0.0000 65.5963 31.1657 178.9158 31 R 3.9475 7.9604 116.6991 59.2032 29.9476 179.3683 32 G 3.5327 8.7784 105.9205 47.6441 0.0000 175.4574 33 R 4.0611 8.5420 120.4213 58.1061 30.1892 178.4529 34 A 3.9808 7.8885 121.0078 55.6710 18.3157 179.2576 35 H 4.1919 8.4599 113.8847 58.8743 28.5479 177.7104 36 K 3.9312 8.4791 121.9251 59.4419 31.7779 179.1595 37 R 4.0313 7.8410 117.5632 59.3747 29.9681 178.6273 38 M 4.2664 7.8299 117.9307 56.8753 32.1780 177.1006 39 Q 4.0043 7.9458 116.1950 55.5183 28.6414 178.2211 40 Y 3.1511 8.2840 121.0132 59.3614 37.4974 171.3204 41 N 4.8333 8.5781 126.2758 53.8663 41.5992 172.7919 42 R 4.6275 8.1303 120.0803 54.1136 33.0919 175.0315 43 R 3.7805 8.3601 123.6454 56.3156 30.7976 175.8211 44 F 4.9476 7.3468 113.5270 56.3386 40.5441 173.1930 45 V 4.2623 9.8577 118.0059 64.0566 33.8337 174.4528 46 T 3.2121 9.1364 112.4652 61.2810 67.5345 170.2365 47 A 4.0870 7.2518 125.7298 54.4970 18.6205 180.1732 48 V 3.6599 7.7603 112.0134 65.2505 32.2576 178.7633 49 V 3.6893 7.7621 117.7035 65.7790 31.1670 177.8781 50 G 3.5034 7.9829 103.8305 48.1813 0.0000 175.1200 51 F 4.4042 8.2744 121.3187 59.5129 39.0189 177.7879 52 G 3.8978 8.1957 105.6089 48.2050 0.0000 175.7048 53 K 4.2256 8.2784 119.2732 57.5467 32.1662 178.5104 54 K 4.4237 7.5110 116.8801 56.3092 32.3794 177.4981 55 R 4.6525 7.7888 119.6592 56.9756 30.8019 176.5180 56 G 4.1752 7.8383 111.4749 43.1540 0.0000 169.9753 57 P 4.9546 0.0000 0.0000 62.4839 31.7665 178.6175 *58 N 3.9506 10.0048 116.9952 53.7673 36.2853 174.7875 *59 S 5.6894 7.8776 110.8261 59.1620 63.1368 169.5849 *60 S 4.6790 7.4555 120.8529 59.9635 70.0800 176.9904 *61 E 4.0510 8.2715 120.1141 57.3739 30.6991 180.2803 *62 K 4.2997 8.5239 118.7938 55.8312 31.7189 176.7002 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 M 8.15 4.44 0.00 2.07 1.48 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 2 G 9.19 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 3 K 8.07 4.39 0.00 1.72 1.95 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.33 1.28 7.81 4 V 7.25 4.05 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 1.09 0.00 0.00 1.02 0.00 0.00 5 H 8.08 4.50 0.00 3.17 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 7.92 3.51 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 0.00 0.00 0.00 7 S 7.98 4.45 0.00 3.94 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 8 L 7.74 4.10 0.00 1.83 1.65 0.64 0.88 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 9 A 8.61 4.00 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 10 R 7.54 4.01 0.00 2.00 2.00 0.00 3.18 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 11 A 7.59 4.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 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 13 K 8.39 4.49 0.00 1.75 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 14 V 7.38 4.19 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 0.80 0.00 0.00 0.96 0.00 0.00 15 R 7.74 4.46 0.00 1.72 1.75 0.00 3.42 0.00 0.00 3.49 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 16 G 7.68 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 17 Q 7.90 4.58 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 18 T 8.09 3.91 4.51 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 1.25 0.00 0.00 19 P 0.00 4.52 0.00 2.17 2.16 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 20 K 7.64 4.21 0.00 1.89 1.87 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.42 7.81 21 V 8.66 3.43 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 0.80 0.00 0.00 0.93 0.00 0.00 22 A 6.99 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.83 0.00 1.71 1.68 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.38 7.81 24 Q 8.21 4.27 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 25 D 8.09 4.54 0.00 2.81 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 26 K 7.66 4.49 0.00 1.81 1.81 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 27 K 7.85 4.44 0.00 1.80 1.79 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.63 7.81 28 K 8.45 4.00 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.53 7.81 29 K 8.39 3.98 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.56 7.81 30 P 0.00 4.28 0.00 2.14 2.09 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 31 R 7.96 3.95 0.00 2.00 2.01 0.00 3.16 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 32 G 8.78 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.54 4.06 0.00 1.98 2.00 0.00 3.11 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 34 A 7.89 3.98 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 35 H 8.46 4.19 0.00 3.10 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.48 3.93 0.00 1.89 1.71 0.00 1.11 0.00 0.00 0.68 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.45 7.81 37 R 7.84 4.03 0.00 2.12 2.07 0.00 3.26 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 38 M 7.83 4.27 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.93 0.00 39 Q 7.95 4.00 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.07 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 40 Y 8.28 3.15 0.00 3.17 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 0.00 0.00 0.00 0.00 41 N 8.58 4.83 0.00 2.66 2.68 0.00 0.00 6.50 7.65 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 42 R 8.13 4.63 0.00 1.78 1.79 0.00 3.35 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 43 R 8.36 3.78 0.00 1.79 1.76 0.00 3.22 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 44 F 7.35 4.95 0.00 2.97 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 45 V 9.86 4.26 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 0.84 0.00 0.00 0.93 0.00 0.00 46 T 9.14 3.21 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 1.24 0.00 0.00 47 A 7.25 4.09 1.45 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 48 V 7.76 3.66 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 1.06 0.00 0.00 0.98 0.00 0.00 49 V 7.76 3.69 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 50 G 7.98 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.27 4.40 0.00 3.30 3.21 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 52 G 8.20 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.28 4.23 0.00 1.81 1.86 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 54 K 7.51 4.42 0.00 1.94 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.56 7.81 55 R 7.79 4.65 0.00 2.09 2.04 0.00 3.27 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 56 G 7.84 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 57 P 0.00 4.95 0.00 2.13 1.52 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 *58 N 10.00 3.95 0.00 2.92 2.69 0.00 0.00 6.48 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 *59 S 7.88 5.69 0.00 3.72 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 *60 S 7.46 4.68 0.00 3.58 3.55 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 *61 E 8.27 4.05 0.00 1.98 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 2.23 1.89 0.00 *62 K 8.52 4.30 0.00 1.93 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.