NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 P 4.4476 0.0000 0.0000 62.5351 33.9578 178.3663 15 V 3.2951 7.7575 111.8270 64.1572 31.2414 177.0717 16 F 4.2768 8.0633 118.7148 60.9610 39.2173 177.1523 17 A 4.0687 8.1077 119.3864 55.3797 18.0326 179.5343 18 R 3.8906 8.1548 117.1475 59.1440 30.1011 178.0944 19 E 4.1684 8.4821 119.4934 58.3566 29.6611 178.1878 20 L 3.9862 8.3690 121.1242 58.2191 42.1747 178.2934 21 H 4.0472 8.4366 118.0230 59.2533 29.8125 176.9813 22 A 4.0098 7.6945 121.1666 55.1575 18.1234 179.3338 23 Q 3.8855 8.0952 117.9331 59.4931 29.2236 178.5171 24 L 3.9633 8.1324 120.1623 57.8970 41.6716 179.7991 25 V 3.6183 8.1770 118.5354 65.8460 31.4404 177.9954 26 Q 4.1013 8.2765 117.5991 58.2354 28.4341 178.1450 27 A 4.0627 8.1623 122.4879 55.1578 18.3139 179.6747 28 L 4.1145 8.1698 117.6741 57.4201 41.6161 179.7261 29 G 3.8144 7.9007 105.8978 48.0627 0.0000 175.1846 30 D 4.3687 8.1140 121.9720 57.0034 40.8834 179.3491 31 V 3.5542 7.5838 118.4336 66.0322 31.3769 178.2766 32 K 4.0294 8.6170 117.7507 59.0538 31.8116 178.8782 33 R 4.0341 7.9789 119.3296 58.7173 29.9251 178.4693 34 R 3.6450 7.6041 118.7542 59.2188 29.8685 178.3499 35 L 4.0521 7.4463 116.5683 56.8928 41.6528 177.8030 36 L 4.3545 7.3070 115.9724 55.1454 41.8278 177.2115 37 R 4.4065 8.0790 117.2586 55.0377 30.5307 173.3494 38 G 4.5759 8.4488 112.6501 44.7498 0.0000 173.6832 39 G 3.5423 7.4786 109.0608 44.0863 0.0000 173.0672 40 T 4.1869 7.2518 110.1935 60.7725 71.2199 175.2858 41 Q 4.1679 8.5650 119.7006 59.1396 28.6344 179.0416 42 Q 3.9398 7.9986 120.0034 59.4754 29.3628 178.1838 43 Q 4.1098 7.8903 118.4703 59.3652 28.7826 178.6818 44 Y 4.6932 8.1284 117.7442 60.9404 37.7750 178.2455 45 Q 3.9914 8.3790 120.7077 59.3428 29.1856 178.0012 46 Q 3.9134 7.9662 118.8869 59.0981 28.7288 179.3783 47 W 4.0857 8.1720 119.1911 59.4698 29.0361 178.4153 48 Q 4.0652 8.2321 119.9163 58.8433 28.5869 177.7725 49 Q 3.9394 8.3771 121.2378 58.9446 29.1585 177.6834 50 E 3.8310 8.3955 120.4446 59.4698 29.7540 178.6183 51 A 4.0975 8.3029 120.7103 55.4368 18.2862 179.3808 52 D 4.3249 8.1884 117.2420 57.2257 40.8644 178.7087 53 A 3.9478 7.8814 120.8208 55.4659 18.2763 179.5578 54 I 3.8032 7.4413 116.6210 64.8710 37.2126 178.1096 55 E 4.1565 8.0638 118.1723 58.9088 29.6283 178.6964 56 A 4.3077 8.4568 121.7588 54.7708 18.2562 180.1113 57 G 3.3987 8.3558 100.6849 45.9846 0.0000 174.9531 *59 N 4.6910 8.0388 119.3609 53.1739 40.7336 176.9356 60 I 3.7104 7.7673 118.6956 64.5043 36.7645 178.4575 61 I 3.7868 7.6375 119.6968 63.4748 36.5906 178.0148 62 E 4.1022 7.7994 118.7370 58.9012 30.0376 177.8607 63 K 3.9235 7.7246 117.9500 59.9453 32.0652 178.2646 64 I 3.8982 7.8041 119.7677 63.8258 37.2653 176.3439 65 K 4.2294 7.7768 123.8952 56.9187 32.1752 176.3850 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 14 P 0.00 4.45 0.00 2.17 2.16 0.00 3.56 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 2.00 2.13 0.00 15 V 7.76 3.30 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 -0.07 0.00 0.00 16 F 8.06 4.28 0.00 3.10 3.05 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 17 A 8.11 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.15 3.89 0.00 2.00 2.15 0.00 3.07 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 19 E 8.48 4.17 0.00 2.16 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 2.31 2.31 0.00 20 L 8.37 3.99 0.00 1.95 1.91 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.44 4.05 0.00 3.38 3.30 0.00 5.65 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 22 A 7.69 4.01 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 23 Q 8.10 3.89 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 24 L 8.13 3.96 0.00 1.93 1.67 0.92 1.12 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 25 V 8.18 3.62 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 1.03 0.00 0.00 0.84 0.00 0.00 26 Q 8.28 4.10 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 27 A 8.16 4.06 1.42 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 0.00 0.00 28 L 8.17 4.11 0.00 1.85 1.74 0.93 0.81 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 29 G 7.90 3.81 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 0.00 0.00 0.00 30 D 8.11 4.37 0.00 2.93 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 31 V 7.58 3.55 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 1.25 0.00 0.00 1.30 0.00 0.00 32 K 8.62 4.03 0.00 1.92 1.84 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.59 7.81 33 R 7.98 4.03 0.00 2.00 1.96 0.00 3.05 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 34 R 7.60 3.64 0.00 1.25 1.46 0.00 2.74 0.00 0.00 2.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 35 L 7.45 4.05 0.00 1.61 1.56 0.91 1.12 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 36 L 7.31 4.35 0.00 1.82 1.67 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.08 4.41 0.00 1.84 1.87 0.00 3.38 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 38 G 8.45 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.48 3.54 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 0.00 0.00 0.00 40 T 7.25 4.19 4.20 0.00 0.00 0.00 0.00 0.00 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 41 Q 8.56 4.17 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 42 Q 8.00 3.94 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 43 Q 7.89 4.11 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 44 Y 8.13 4.69 0.00 3.24 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 45 Q 8.38 3.99 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 46 Q 7.97 3.91 0.00 2.17 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 47 W 8.17 4.09 0.00 3.59 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.07 0.00 2.57 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 49 Q 8.38 3.94 0.00 2.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 50 E 8.40 3.83 0.00 1.89 2.21 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 2.41 2.46 0.00 51 A 8.30 4.10 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 52 D 8.19 4.32 0.00 2.98 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 53 A 7.88 3.95 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 54 I 7.44 3.80 2.05 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 1.54 0.77 0.95 0.00 0.00 55 E 8.06 4.16 0.00 2.20 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 2.35 2.39 0.00 56 A 8.46 4.31 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 0.00 0.00 0.00 *59 N 8.04 4.69 0.00 3.06 2.92 0.00 0.00 7.04 7.29 0.00 0.00 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 I 7.77 3.71 1.88 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 1.53 0.89 0.92 0.00 0.00 61 I 7.64 3.79 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.25 1.01 0.00 0.00 62 E 7.80 4.10 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 63 K 7.72 3.92 0.00 1.76 2.06 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.56 7.81 64 I 7.80 3.90 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.93 0.00 0.00 65 K 7.78 4.23 0.00 1.88 1.70 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.