NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.3068 0.0000 0.0000 62.6561 33.2791 174.5564 10 R 4.5171 8.7334 126.3942 54.3596 31.6059 173.2395 11 I 4.8634 8.9054 130.0700 59.6030 40.0568 174.1744 12 A 5.1464 8.9114 128.1265 50.1003 22.2275 174.9643 13 I 4.8096 8.9602 123.1288 59.6316 40.2107 174.2637 14 Q 5.6860 9.3732 130.0489 53.9809 30.7190 173.9902 15 Y 5.6663 7.9644 123.2759 55.0546 41.8648 174.9225 16 C 4.6515 9.7584 122.2001 57.2508 43.0576 174.4062 17 T 4.0002 8.6290 124.0495 67.0689 68.1934 176.9808 18 Q 4.0959 7.8255 117.6537 58.3756 28.8339 177.8486 19 C 4.1562 7.7532 113.4354 56.7740 40.5882 172.9791 20 Q 3.5280 7.5640 117.7572 57.3222 26.0690 174.5545 21 W 5.0089 7.9733 114.5449 56.7844 29.5866 177.4190 22 L 2.8855 7.9085 122.6681 57.8336 41.6408 178.5617 23 L 3.9759 7.9894 118.6389 58.0858 41.4160 179.7438 24 R 4.1963 7.9482 113.4751 58.9346 29.5975 178.2711 25 A 4.2735 7.8302 120.8950 55.1803 18.7688 179.2732 26 A 4.1283 8.4449 119.6291 54.5471 18.3242 179.5490 27 W 4.0865 7.9841 123.2259 58.5393 30.2655 177.2936 *29 A 4.2125 7.8733 121.7813 52.0163 20.0566 179.8752 30 Q 3.9834 7.8983 114.7121 59.0057 28.5126 178.7039 31 E 3.9111 8.0279 119.7160 59.2716 29.4107 179.5193 32 L 4.1625 7.6372 118.4313 57.9432 41.9113 179.3904 33 L 4.2110 8.1779 119.3394 57.6740 41.2981 179.6871 34 S 4.1679 8.3784 114.0045 61.1960 63.0732 176.4971 35 T 3.8655 7.3837 118.7061 66.0261 68.7543 176.3800 36 F 4.6462 8.8035 118.2652 56.5050 39.9888 177.6265 37 G 3.6936 8.7389 108.3776 46.3880 0.0000 175.9620 38 A 4.2349 8.6930 126.6291 53.6299 18.1585 178.1902 39 D 4.5624 8.2795 115.4877 55.5217 41.1854 176.3085 40 L 4.6757 7.5573 119.6539 52.7426 43.5594 176.8704 41 G 3.8297 8.8635 111.3627 48.7988 0.0000 173.3282 42 E 4.9752 7.2802 116.2400 55.7322 32.3476 175.6284 43 V 4.7660 8.4475 119.4056 61.2037 34.1368 174.1385 44 A 4.7040 9.1581 130.6220 50.4020 21.2280 175.4012 45 L 4.9422 8.5623 122.5441 53.4695 43.2299 176.4602 46 V 4.2726 8.9584 126.0277 60.1901 33.2118 173.0868 47 P 3.6377 0.0000 0.0000 63.1341 32.1213 176.1034 48 G 4.1844 8.5122 109.9687 45.2771 0.0000 170.8039 49 T 4.8168 8.1522 109.7726 60.0071 72.2736 173.7609 50 G 3.8241 8.0566 108.5694 45.2237 0.0000 173.9485 51 G 4.0492 8.5375 112.3807 46.1449 0.0000 172.8664 52 V 4.1557 7.6989 119.9950 62.6703 33.2210 175.4594 53 F 5.3134 8.8201 128.1356 57.9210 41.2117 172.2290 54 R 5.4102 9.2126 124.3761 54.0880 34.4675 174.5009 55 I 5.1416 9.0177 122.1741 60.0417 40.9586 174.2478 56 H 5.3380 9.5245 123.9150 54.1594 32.7672 172.6163 57 Y 4.5772 9.1521 122.8894 55.6931 40.2570 175.1697 58 N 3.8855 9.7661 127.7121 54.0814 36.6900 175.7832 59 G 4.0341 8.5718 107.0249 45.4637 0.0000 174.5979 60 A 4.3105 7.7427 122.8870 50.9063 19.1271 174.8629 61 P 4.5355 0.0000 0.0000 62.5645 32.2241 175.7534 62 L 4.6540 8.5275 123.8020 55.7738 44.5687 176.0565 63 W 5.0699 7.8646 125.8532 56.5623 34.4391 173.1454 64 D 4.9472 7.9880 124.3265 53.4881 43.9805 175.5986 65 R 4.1477 9.1375 126.9782 59.0565 30.3009 178.3079 66 E 3.9680 8.6939 116.4594 59.0980 29.3642 179.0704 67 V 3.7360 7.4011 116.8705 65.7783 32.0678 177.4995 68 D 4.0914 7.5995 117.9920 53.7365 40.6586 174.2797 69 G 3.8217 7.3000 114.2759 46.0961 0.0000 174.7754 70 G 3.5620 8.3666 112.7677 45.4740 0.0000 171.8973 71 F 4.7415 8.3137 119.1588 54.5794 41.9455 173.4183 72 P 3.6379 0.0000 0.0000 62.0885 31.9909 176.4274 73 E 4.3449 8.2260 119.2871 55.5465 31.6666 177.5587 74 A 3.7498 8.8250 124.5939 55.5105 18.3782 180.3402 75 K 3.8728 8.0367 116.1234 59.6198 32.2056 179.5972 76 V 3.5861 7.6791 117.8768 65.8171 31.5925 177.4614 77 L 3.9280 7.9637 120.2295 58.2760 41.8469 179.0852 78 K 4.2408 8.2916 118.4508 59.6655 31.8968 179.3448 79 Q 4.0760 8.1429 118.2056 59.1829 28.4576 179.1468 80 R 3.9330 7.9151 117.7726 59.1396 30.3772 179.0654 81 V 3.5521 7.8516 118.1531 65.8778 31.6496 177.9960 82 R 3.8563 8.3959 118.8970 59.6760 29.7015 178.2316 83 D 4.4098 8.2972 117.8289 56.8966 40.8589 177.4016 84 H 4.3457 7.4832 114.1499 55.5008 29.0649 175.1502 85 L 4.2729 7.5021 126.0480 54.9876 41.5444 176.5908 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 9 P 0.00 4.31 0.00 1.75 2.07 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 10 R 8.73 4.52 0.00 1.82 1.73 0.00 3.02 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 11 I 8.91 4.86 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.26 0.96 0.00 0.00 12 A 8.91 5.15 1.21 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 13 I 8.96 4.81 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.69 0.65 0.00 0.00 14 Q 9.37 5.69 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 15 Y 7.96 5.67 0.00 3.60 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 16 C 9.76 4.65 0.00 3.15 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.63 4.00 4.17 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 0.00 0.00 0.00 1.23 0.00 0.00 18 Q 7.83 4.10 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 19 C 7.75 4.16 0.00 1.51 1.84 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 20 Q 7.56 3.53 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 21 W 7.97 5.01 0.00 3.95 3.41 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 22 L 7.91 2.89 0.00 1.76 1.67 0.74 0.68 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 23 L 7.99 3.98 0.00 1.73 1.70 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.95 4.20 0.00 1.96 1.89 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 25 A 7.83 4.27 1.24 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 26 A 8.44 4.13 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 27 W 7.98 4.09 0.00 3.40 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 4.21 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 30 Q 7.90 3.98 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 31 E 8.03 3.91 0.00 1.57 1.76 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 1.92 1.47 0.00 32 L 7.64 4.16 0.00 1.86 1.84 0.90 0.82 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 33 L 8.18 4.21 0.00 1.69 1.73 0.92 0.81 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 34 S 8.38 4.17 0.00 3.96 4.04 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 0.00 0.00 0.00 35 T 7.38 3.87 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 0.32 0.00 0.00 36 F 8.80 4.65 0.00 3.13 3.08 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 0.00 0.00 0.00 37 G 8.74 3.69 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 0.00 0.00 0.00 38 A 8.69 4.23 1.31 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 0.00 0.00 39 D 8.28 4.56 0.00 2.98 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 40 L 7.56 4.68 0.00 1.75 1.53 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.86 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.28 4.98 0.00 1.98 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 2.06 2.09 0.00 43 V 8.45 4.77 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 0.80 0.00 0.00 0.92 0.00 0.00 44 A 9.16 4.70 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 45 L 8.56 4.94 0.00 1.63 1.80 0.93 0.86 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 46 V 8.96 4.27 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 0.94 0.00 0.00 0.95 0.00 0.00 47 P 0.00 3.64 0.00 1.86 1.83 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 48 G 8.51 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 49 T 8.15 4.82 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 1.17 0.00 0.00 50 G 8.06 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 0.00 0.00 0.00 51 G 8.54 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.70 4.16 2.27 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 1.07 0.00 0.00 1.07 0.00 0.00 53 F 8.82 5.31 0.00 3.65 3.09 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 54 R 9.21 5.41 0.00 1.81 1.81 0.00 3.20 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 55 I 9.02 5.14 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.88 0.94 0.00 0.00 56 H 9.52 5.34 0.00 3.09 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 9.15 4.58 0.00 2.88 2.73 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 58 N 9.77 3.89 0.00 2.96 2.89 0.00 0.00 7.12 7.52 0.00 0.00 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 G 8.57 4.03 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 0.00 0.00 0.00 60 A 7.74 4.31 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 61 P 0.00 4.54 0.00 2.15 2.06 0.00 3.75 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 1.99 1.96 0.00 62 L 8.53 4.65 0.00 1.74 1.77 0.69 1.24 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 63 W 7.86 5.07 0.00 3.55 2.90 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 64 D 7.99 4.95 0.00 2.71 2.30 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 65 R 9.14 4.15 0.00 2.02 2.03 0.00 2.33 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 66 E 8.69 3.97 0.00 2.10 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 2.37 2.36 0.00 67 V 7.40 3.74 1.86 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 0.73 0.00 0.00 0.85 0.00 0.00 68 D 7.60 4.09 0.00 1.58 1.54 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 0.00 69 G 7.30 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 0.00 0.00 0.00 70 G 8.37 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.74 0.00 2.78 2.48 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 72 P 0.00 3.64 0.00 1.50 0.49 0.00 3.39 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.31 0.00 73 E 8.23 4.34 0.00 2.03 1.93 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 2.42 2.39 0.00 74 A 8.82 3.75 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 75 K 8.04 3.87 0.00 1.83 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.53 7.81 76 V 7.68 3.59 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 1.22 0.00 0.00 1.00 0.00 0.00 77 L 7.96 3.93 0.00 1.59 1.68 0.86 0.42 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 78 K 8.29 4.24 0.00 2.02 1.95 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.69 7.81 79 Q 8.14 4.08 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.76 0.00 80 R 7.92 3.93 0.00 1.83 2.00 0.00 3.39 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 81 V 7.85 3.55 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 0.37 0.00 0.00 0.99 0.00 0.00 82 R 8.40 3.86 0.00 2.36 2.19 0.00 3.24 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 83 D 8.30 4.41 0.00 2.89 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.48 4.35 0.00 2.07 1.98 0.00 5.67 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.50 4.27 0.00 1.67 1.60 0.73 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.