NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4660 8.3344 115.4140 57.8650 64.5155 173.4529 3 Q 3.9722 8.5756 121.9780 58.4101 29.2512 177.5012 4 L 4.1697 7.5468 117.3087 55.0907 42.4748 178.3207 *6 G 3.9757 8.2254 107.9518 45.2016 0.0000 176.1056 7 I 3.9239 7.5974 120.9611 64.1429 36.9506 178.5432 8 I 3.6153 7.8472 120.9187 64.6787 36.9850 178.6806 9 T 3.9241 7.8695 110.0560 64.7303 68.6287 176.6204 10 R 3.9386 8.0584 120.8903 59.2041 30.1151 179.0540 11 L 4.1617 8.0564 118.7689 57.6783 41.4531 179.4750 12 Q 4.0463 8.4180 118.8496 59.1547 28.6549 179.2232 13 S 4.1171 8.1614 115.1002 60.8810 62.9650 176.1403 14 L 3.9277 7.9536 124.1735 58.1353 41.6561 178.7292 15 Q 2.8791 8.1223 118.1875 58.9792 29.0962 177.8270 16 E 4.0465 8.3277 120.1246 59.5424 29.3063 179.4048 17 T 3.9252 8.3596 108.6472 64.0585 69.2461 176.2751 18 A 4.2700 7.5697 125.8442 53.5922 19.5378 177.1104 19 E 5.2528 7.6293 118.4280 53.7345 27.9303 175.3366 20 A 4.6369 7.5526 118.0684 52.2140 23.1929 177.6217 21 A 4.4548 7.9477 114.4861 51.8384 21.9237 175.8185 22 N 4.8709 8.4276 112.5940 52.5982 36.2634 173.6701 23 E 4.6892 8.1043 113.6592 54.4660 33.2925 175.4141 24 P 4.8403 0.0000 0.0000 61.9643 31.4299 175.1760 *26 Q 4.4396 8.2165 116.0184 57.3973 29.9768 174.4370 27 R 4.4012 8.8087 117.4792 55.7489 33.8893 173.1468 28 Y 5.3566 8.4125 122.5389 56.6951 40.5055 174.9234 29 F 4.8564 9.2721 120.0791 55.9314 42.4865 174.1898 30 E 5.3810 9.0069 121.5598 54.5806 33.9101 175.6988 31 V 4.1038 8.1766 119.5798 62.1798 33.6612 174.8880 32 N 4.0440 9.4282 127.3086 54.4636 35.2465 176.5216 33 G 3.9119 8.0784 103.6742 45.7157 0.0000 172.6480 34 E 4.3854 7.5686 121.9843 54.0847 30.6243 175.2210 35 K 4.5078 8.5374 126.3017 56.9433 32.8954 176.3370 36 I 4.5702 9.0591 125.1770 63.1994 39.2787 175.2451 37 C 4.7665 7.9638 114.3000 57.3762 33.1388 172.5852 38 S 5.3728 9.1428 113.2978 56.6778 66.0021 172.6488 39 V 5.1670 9.2754 124.4072 61.1435 35.1116 174.1091 40 K 4.9786 9.2352 126.8088 54.8446 35.9987 173.9998 41 Y 5.0887 8.5627 126.3452 55.7922 42.2329 174.1180 42 F 4.3985 8.0138 125.0902 55.6430 40.9009 175.9329 43 E 3.9982 8.9586 125.3302 59.3638 30.3134 177.5292 44 K 4.6195 7.7218 119.2246 54.1404 30.9545 174.2986 45 N 4.2034 8.0847 125.5800 53.3521 43.9977 174.6057 46 Q 3.8005 8.8144 114.9839 57.4723 26.4647 173.1241 47 T 4.9022 6.9690 105.4738 59.9502 72.8548 172.2132 48 F 5.4233 9.7675 122.4622 56.0670 41.8835 174.5236 49 E 5.1568 10.0734 123.6359 54.6870 31.9775 174.6336 50 L 5.0995 9.2663 128.1483 54.1655 44.1133 175.1267 51 T 4.9215 9.3923 123.8106 61.8641 71.0653 173.2972 52 V 4.3593 8.5946 127.0352 61.1978 33.7431 174.5014 53 F 5.3213 8.1892 126.2581 56.4361 40.6615 175.7091 54 Q 4.4473 8.6319 119.8299 54.0840 30.7833 174.4215 55 K 3.8739 8.9290 122.3437 58.2543 32.3902 176.8541 56 G 3.9569 9.5681 110.8441 45.9843 0.0000 172.5395 57 E 4.7355 7.8236 116.5410 53.9684 33.8045 175.1333 58 K 4.1583 8.4426 122.1551 55.9006 32.8909 174.7432 59 P 4.7774 0.0000 0.0000 62.5874 32.7929 175.0918 60 N 4.6994 8.3368 118.9305 52.6749 40.0685 174.2100 61 T 4.9390 7.9214 112.6935 60.1900 71.6413 173.3083 62 Y 4.8385 8.8931 121.0777 55.8814 42.0084 172.9401 63 P 5.1420 0.0000 0.0000 62.6328 33.0432 175.5815 64 F 5.0092 9.4368 119.6751 56.1893 43.3892 174.8554 65 D 5.0664 9.2090 120.6395 52.9685 40.1588 175.3475 66 N 5.1144 8.0936 118.4392 51.6673 41.5595 173.7143 67 I 3.1890 8.6605 125.7203 64.1468 38.5214 177.5968 68 D 4.5426 8.7950 118.6776 54.7055 40.1771 178.4213 *70 V 2.7190 7.8948 121.2035 61.3561 33.2562 177.6312 71 S 3.8717 7.7186 116.5974 61.2664 62.5130 176.8714 72 I 3.6211 7.5661 122.3362 64.3096 36.7631 178.0368 73 E 3.8794 7.8609 119.6282 59.2667 29.4527 178.8105 74 I 3.4851 7.9381 120.1288 64.1356 37.1348 177.9110 75 F 3.9976 8.2101 121.6561 61.6760 38.9543 177.1866 76 E 3.9472 8.1036 116.3815 58.9972 29.0112 178.8488 77 L 4.0588 7.5510 120.5771 58.0983 41.9473 179.0123 78 L 4.0350 7.6811 117.9677 57.5671 41.5960 178.8826 79 Q 3.8324 7.6081 118.7891 58.6518 28.9132 176.6278 80 L 4.2705 7.2847 122.7061 54.8906 41.8989 176.4624 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 S 8.33 4.47 0.00 3.98 3.93 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 3 Q 8.58 3.97 0.00 2.35 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 7.20 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 4 L 7.55 4.17 0.00 1.23 1.40 0.71 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 *6 G 8.23 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 7 I 7.60 3.92 2.00 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 1.82 0.92 0.63 0.00 0.00 8 I 7.85 3.62 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.90 0.87 0.00 0.00 9 T 7.87 3.92 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 1.21 0.00 0.00 10 R 8.06 3.94 0.00 2.30 2.10 0.00 3.02 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 11 L 8.06 4.16 0.00 1.80 1.59 0.51 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.42 4.05 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 13 S 8.16 4.12 0.00 4.06 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 14 L 7.95 3.93 0.00 2.01 2.04 1.09 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.12 2.88 0.00 1.81 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 16 E 8.33 4.05 0.00 2.13 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 2.30 2.26 0.00 17 T 8.36 3.93 4.22 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 1.26 0.00 0.00 18 A 7.57 4.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.63 5.25 0.00 1.91 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 2.27 2.24 0.00 20 A 7.55 4.64 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 0.00 0.00 0.00 0.00 0.00 21 A 7.95 4.45 1.22 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 22 N 8.43 4.87 0.00 2.85 2.85 0.00 0.00 7.09 7.66 0.00 0.00 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 E 8.10 4.69 0.00 2.11 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 2.25 2.24 0.00 24 P 0.00 4.84 0.00 1.75 1.49 0.00 3.65 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 *26 Q 8.22 4.44 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.69 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 27 R 8.81 4.40 0.00 1.76 1.71 0.00 2.95 0.00 0.00 2.57 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.39 0.00 28 Y 8.41 5.36 0.00 2.89 2.84 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 9.27 4.86 0.00 3.09 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 E 9.01 5.38 0.00 1.83 1.98 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 2.25 2.30 0.00 31 V 8.18 4.10 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 0.80 0.00 0.00 0.95 0.00 0.00 32 N 9.43 4.04 0.00 2.96 2.86 0.00 0.00 7.00 7.79 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 33 G 8.08 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 34 E 7.57 4.39 0.00 1.95 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 2.26 2.25 0.00 35 K 8.54 4.51 0.00 1.60 1.86 0.00 1.21 0.00 0.00 0.72 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.12 1.20 7.81 36 I 9.06 4.57 2.00 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 1.49 1.39 0.97 0.00 0.00 37 C 7.96 4.77 0.00 3.05 2.97 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 38 S 9.14 5.37 0.00 4.21 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.28 5.17 2.36 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 1.05 0.00 0.00 1.09 0.00 0.00 40 K 9.24 4.98 0.00 1.88 1.74 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.92 1.18 7.81 41 Y 8.56 5.09 0.00 2.97 2.67 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 42 F 8.01 4.40 0.00 2.68 2.82 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 43 E 8.96 4.00 0.00 2.12 1.98 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 2.44 2.42 0.00 44 K 7.72 4.62 0.00 1.75 1.76 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 45 N 8.08 4.20 0.00 2.49 2.72 0.00 0.00 7.12 6.96 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 46 Q 8.81 3.80 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.45 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 47 T 6.97 4.90 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 1.16 0.00 0.00 48 F 9.77 5.42 0.00 3.16 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 49 E 10.07 5.16 0.00 2.18 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 2.23 2.17 0.00 50 L 9.27 5.10 0.00 1.94 2.08 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 T 9.39 4.92 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 1.08 0.00 0.00 52 V 8.59 4.36 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 1.01 0.00 0.00 1.06 0.00 0.00 53 F 8.19 5.32 0.00 3.10 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 Q 8.63 4.45 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 55 K 8.93 3.87 0.00 1.79 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.49 7.81 56 G 9.57 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 0.00 0.00 0.00 57 E 7.82 4.74 0.00 2.09 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 2.27 2.27 0.00 58 K 8.44 4.16 0.00 1.74 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 59 P 0.00 4.78 0.00 2.18 2.29 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 60 N 8.34 4.70 0.00 2.79 2.01 0.00 0.00 6.69 6.93 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 61 T 7.92 4.94 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 1.17 0.00 0.00 62 Y 8.89 4.84 0.00 3.00 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 0.00 0.00 0.00 0.00 63 P 0.00 5.14 0.00 2.00 1.96 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 64 F 9.44 5.01 0.00 3.16 3.02 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 65 D 9.21 5.07 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 5.11 0.00 2.76 2.82 0.00 0.00 7.01 7.94 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 67 I 8.66 3.19 1.98 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 1.21 0.64 0.91 0.00 0.00 68 D 8.80 4.54 0.00 2.84 2.60 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 *70 V 7.89 2.72 1.11 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 0.22 0.00 0.00 0.42 0.00 0.00 71 S 7.72 3.87 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.57 3.62 1.79 0.00 0.00 0.73 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 0.82 0.89 0.00 0.00 73 E 7.86 3.88 0.00 1.94 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 74 I 7.94 3.49 1.62 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.47 0.28 0.00 0.00 75 F 8.21 4.00 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.95 0.00 1.99 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 2.55 2.74 0.00 77 L 7.55 4.06 0.00 1.96 1.60 0.89 1.06 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 78 L 7.68 4.03 0.00 1.57 1.61 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.61 3.83 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 80 L 7.28 4.27 0.00 1.78 1.54 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.