NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4443 0.0000 0.0000 61.9653 33.4514 175.3968 3 E 4.7050 7.5351 115.8955 54.0989 32.7428 172.1531 4 T 5.2193 9.0801 111.3718 60.2075 73.0163 173.9123 5 L 4.6866 8.5513 120.1129 53.7768 46.6586 175.0599 6 C 4.9700 8.3780 119.0297 55.3693 46.6159 175.1946 7 G 3.5438 8.4928 109.1637 46.4058 0.0000 176.1774 8 A 4.0028 8.6741 121.4605 55.1958 18.1009 179.3255 9 E 3.8440 8.0770 116.5093 59.3426 29.5398 179.0174 10 L 3.8098 7.6793 119.8303 58.1347 42.1025 178.8462 11 V 3.3065 7.8289 118.0587 66.3869 31.4447 177.5872 12 D 4.3266 8.4188 118.4001 57.4460 40.6500 178.9039 13 A 4.0628 8.2480 121.4648 54.9146 18.2576 179.7260 14 L 3.6383 7.8072 117.7923 58.0671 41.6147 179.8008 15 Q 4.0758 8.0578 118.0918 58.8690 28.3520 178.8044 16 F 4.2992 7.8523 120.6945 61.1509 39.5476 177.2784 17 V 3.4821 7.7148 116.9325 65.9651 31.4594 177.0906 18 C 4.4068 8.4444 115.5884 59.1598 41.6983 175.4432 19 G 3.6957 8.3997 109.3319 45.3375 0.0000 173.5105 20 D 4.3618 8.9192 117.7626 57.6075 41.0670 178.0941 21 R 3.7982 8.1130 117.0529 57.5496 30.3208 177.7040 22 G 3.8404 9.0308 106.7134 44.7805 0.0000 171.6355 23 F 5.1734 7.4910 112.0041 55.8192 40.7599 172.6830 24 Y 4.9398 8.5039 118.8208 56.1878 40.1508 176.8618 25 F 4.5619 8.9377 121.8005 60.0683 39.5796 175.0321 26 N 5.9620 8.3058 116.7729 51.4813 42.6159 174.1434 27 K 4.5357 8.9167 121.8212 54.1490 35.8977 174.1522 28 P 4.6677 0.0000 0.0000 63.1094 31.5910 176.6798 29 T 3.9029 8.4565 112.9054 64.3397 69.4473 175.2495 *40 Q 4.4316 7.7914 119.8226 55.5770 29.9507 175.1929 41 T 4.5301 8.6190 114.6054 60.7248 71.2497 173.8086 42 G 4.5438 8.5177 110.2567 44.5402 0.0000 174.3828 43 I 3.1449 8.6301 124.1396 63.3458 37.7394 178.7867 44 V 3.5786 7.7734 118.9304 66.1373 31.0572 177.2175 45 D 4.6421 8.3459 118.1958 57.8207 40.5858 178.7184 46 E 4.2055 8.0999 118.3880 58.6784 29.7540 177.8082 47 C 4.4401 8.5172 116.1386 58.4096 40.7779 175.2087 48 C 4.2582 8.2562 119.4387 57.6859 43.5870 174.0858 49 F 4.4736 8.2090 118.4220 58.8101 40.4684 176.8338 50 R 4.2440 7.5988 118.9368 57.1529 28.8015 180.2058 51 S 4.6649 6.7047 110.0818 57.6670 66.7274 173.3335 52 C 5.2160 8.7164 125.9460 54.9814 44.2526 172.5364 53 D 4.7619 8.3779 123.1169 50.8737 42.3903 176.0190 54 L 3.9803 8.5713 118.7935 57.9746 41.3208 179.6747 55 R 3.8779 8.0027 118.1610 59.3111 29.7650 178.4560 56 R 3.9684 7.9291 117.2796 59.4171 30.4658 178.1030 57 L 4.1486 7.9119 118.7970 58.0122 41.5150 179.2940 58 E 4.0071 8.4638 118.5527 59.8591 29.1659 179.3564 59 M 4.0784 7.8559 117.4902 57.9502 32.2090 177.3488 60 Y 4.4754 8.0220 115.0608 57.1909 38.7046 174.7026 61 C 4.8510 7.5405 118.5789 56.9447 40.9025 173.6920 62 A 4.0705 8.2357 126.1213 50.9962 18.4817 175.7511 63 P 4.4893 0.0000 0.0000 62.1026 32.5353 176.4225 64 L 4.0259 8.3566 121.4557 55.2558 42.1284 177.1755 65 K 4.3830 8.1737 122.8631 54.6922 34.6771 173.7477 66 P 4.3108 0.0000 0.0000 62.1072 31.8815 176.1106 67 A 4.2101 8.2885 124.3503 51.6143 19.1078 177.8951 68 K 4.0577 8.5992 117.5289 57.1734 32.0906 177.3340 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 P 0.00 4.44 0.00 2.19 2.22 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 E 7.54 4.71 0.00 2.08 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 2.36 0.00 4 T 9.08 5.22 4.37 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 1.22 0.00 0.00 5 L 8.55 4.69 0.00 1.49 1.47 0.87 1.08 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 6 C 8.38 4.97 0.00 2.82 2.79 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 0.00 0.00 0.00 7 G 8.49 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 8 A 8.67 4.00 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 9 E 8.08 3.84 0.00 2.13 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 2.35 2.33 0.00 10 L 7.68 3.81 0.00 1.85 1.84 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.83 3.31 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 1.18 0.00 0.00 1.22 0.00 0.00 12 D 8.42 4.33 0.00 2.83 2.66 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 0.00 0.00 0.00 0.00 13 A 8.25 4.06 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 14 L 7.81 3.64 0.00 0.80 0.19 0.19 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.06 4.08 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 16 F 7.85 4.30 0.00 2.96 3.27 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 0.00 17 V 7.71 3.48 2.03 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 0.83 0.00 0.00 1.02 0.00 0.00 18 C 8.44 4.41 0.00 3.11 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.92 4.36 0.00 2.66 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 21 R 8.11 3.80 0.00 1.98 2.09 0.00 3.26 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 22 G 9.03 3.84 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 0.00 0.00 0.00 23 F 7.49 5.17 0.00 3.13 2.88 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 24 Y 8.50 4.94 0.00 3.15 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 25 F 8.94 4.56 0.00 3.34 3.20 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 0.00 26 N 8.31 5.96 0.00 2.64 2.77 0.00 0.00 6.68 7.61 0.00 0.00 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 K 8.92 4.54 0.00 1.63 1.75 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.63 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.33 1.02 7.81 28 P 0.00 4.67 0.00 1.90 1.98 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.16 0.00 29 T 8.46 3.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *40 Q 7.79 4.43 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 41 T 8.62 4.53 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 42 G 8.52 4.54 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 43 I 8.63 3.14 0.56 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.14 0.93 0.00 0.00 44 V 7.77 3.58 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 1.27 0.00 0.00 1.09 0.00 0.00 45 D 8.35 4.64 0.00 2.97 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 46 E 8.10 4.21 0.00 1.98 2.04 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 2.38 2.57 0.00 47 C 8.52 4.44 0.00 3.09 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 48 C 8.26 4.26 0.00 2.83 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 49 F 8.21 4.47 0.00 3.35 3.07 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 50 R 7.60 4.24 0.00 1.62 1.59 0.00 3.30 0.00 0.00 3.15 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 51 S 6.70 4.66 0.00 3.82 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 52 C 8.72 5.22 0.00 3.14 2.86 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 0.00 0.00 0.00 0.00 53 D 8.38 4.76 0.00 2.89 2.72 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 54 L 8.57 3.98 0.00 1.72 1.76 0.94 0.76 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 55 R 8.00 3.88 0.00 1.85 1.94 0.00 3.57 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 56 R 7.93 3.97 0.00 2.02 2.21 0.00 3.82 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 57 L 7.91 4.15 0.00 1.91 1.67 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.46 4.01 0.00 2.26 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 2.32 2.45 0.00 59 M 7.86 4.08 0.00 1.84 2.44 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 60 Y 8.02 4.48 0.00 3.22 3.26 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 61 C 7.54 4.85 0.00 2.89 3.01 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 0.00 0.00 0.00 62 A 8.24 4.07 0.76 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 0.00 0.00 63 P 0.00 4.49 0.00 2.11 2.09 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 2.06 2.08 0.00 64 L 8.36 4.03 0.00 1.65 1.64 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.17 4.38 0.00 1.84 1.65 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.48 7.81 66 P 0.00 4.31 0.00 2.08 1.97 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 67 A 8.29 4.21 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 68 K 8.60 4.06 0.00 1.76 1.77 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.