NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6954 8.2833 119.2015 53.4991 39.3530 174.4528 7 I 3.3150 7.7296 124.5694 62.5213 37.3509 175.7366 8 Q 3.8129 8.7337 121.6241 59.3747 29.4594 177.4635 9 D 4.3741 7.9904 119.2699 57.3506 40.8191 178.9699 10 K 3.9421 7.5762 118.4758 59.1426 31.9058 179.3754 11 A 3.4043 7.7088 120.9804 54.8547 18.2594 179.6560 12 L 3.6045 7.6960 117.8512 57.6849 41.4985 179.1700 13 E 4.0489 8.2496 119.5942 59.4290 29.4870 178.2699 14 N 4.1578 8.0325 116.9110 56.7338 39.0467 176.6510 15 F 4.3959 7.7285 119.0919 60.5978 38.8416 177.2256 16 K 4.5476 8.5286 119.2605 59.6924 31.9713 177.7683 17 A 4.1030 8.1533 119.8663 54.9405 18.3475 178.4720 18 N 4.4087 8.6265 114.5826 53.1600 39.2499 175.1434 19 Q 3.4960 7.9880 118.3243 56.9645 27.0993 174.3955 20 T 3.9245 7.9242 112.9622 63.5160 69.2556 174.4354 21 E 4.3369 8.6329 127.2891 55.9717 29.7710 175.7153 22 V 4.4090 8.6395 121.3769 59.8883 34.7460 175.2177 23 T 4.6135 8.8718 120.9670 62.0444 70.7109 173.7550 24 V 4.4002 8.5372 127.7775 61.4212 33.2459 174.3619 25 F 5.0331 9.1159 127.9777 56.4101 40.6736 175.9591 26 F 4.9274 9.5678 122.8009 56.0052 40.8517 177.2145 27 L 4.0579 8.8328 120.7903 58.0208 41.4076 178.4667 28 N 4.6030 8.3298 112.9425 53.1772 37.4622 175.7699 29 G 4.0085 8.1823 108.0371 45.2389 0.0000 173.5936 30 F 4.7702 8.5226 122.7351 58.0938 40.9425 173.8875 31 Q 5.1966 5.7731 117.3307 56.3595 30.9152 173.3211 32 M 4.5881 8.1035 118.8372 53.5132 36.8413 173.6766 33 K 4.6778 8.2228 123.6736 55.2141 34.1123 175.4696 34 G 4.0934 8.4016 113.7623 46.1097 0.0000 171.1230 35 V 4.8962 8.4505 119.9222 60.9383 34.5590 175.9780 36 I 4.3682 8.3834 128.5641 61.7822 37.5143 175.7591 37 E 4.3863 9.1266 126.9759 57.8040 30.9942 175.8495 38 E 4.9540 7.9079 116.5075 54.5653 34.8041 173.7744 39 Y 5.0731 7.3248 118.3236 57.4388 39.3099 172.9606 40 D 5.0255 8.2325 121.1359 52.0904 41.6589 175.2871 41 K 3.9397 8.7466 117.8290 59.4221 32.7232 177.9089 42 Y 4.7738 8.2343 114.9480 59.2908 40.0516 176.4577 43 V 4.9128 8.5427 112.2306 60.2068 35.1775 175.0498 44 V 4.7529 8.2484 120.1520 62.2803 35.3183 172.9695 45 S 5.0493 9.2400 123.9067 57.0591 64.0726 172.2402 46 L 5.1990 9.1297 129.7026 53.2689 44.9141 174.3829 47 N 5.1857 9.5255 126.2895 52.7481 40.2663 173.5815 48 S 4.8773 8.8164 121.1879 57.1297 66.0239 173.6596 49 Q 3.5441 10.1145 123.3078 56.9326 27.3712 174.7194 50 G 4.0047 8.6244 107.6536 46.0345 0.0000 174.3551 51 K 4.2762 7.9580 121.0498 55.2037 33.3078 174.7608 52 Q 4.6468 8.3447 126.2715 55.5832 30.1918 174.2661 53 H 4.9456 9.0665 123.5880 53.9074 31.8639 172.4930 54 L 4.7767 8.6597 125.8998 53.8714 43.1830 175.3549 55 I 4.5993 8.6472 127.9325 59.4852 40.1424 175.0186 56 Y 4.4186 8.4929 124.8892 57.5560 38.6005 177.1744 57 K 4.0953 9.1732 124.5473 59.4611 32.3483 178.7127 58 H 4.4424 8.3306 112.5095 57.0578 28.7788 175.5342 59 A 4.6258 7.9463 122.9800 53.0649 20.3604 177.3496 60 I 3.6782 7.0555 115.7073 61.4505 37.6777 174.4603 61 S 4.6066 8.9441 115.7660 59.6829 63.9806 174.1051 62 T 4.7495 7.6008 114.8895 61.8843 72.9525 171.7407 63 Y 5.1640 8.7567 122.1794 56.7138 40.1633 175.2868 64 T 4.7363 9.0619 120.4759 62.0811 72.4916 174.3780 65 V 4.2604 8.2692 119.9862 60.8497 32.9899 176.0954 66 E 4.2644 8.5189 122.2782 57.7498 30.4447 175.0899 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 6 N 8.28 4.70 0.00 2.80 2.77 0.00 0.00 7.09 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 7 I 7.73 3.32 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 0.85 0.00 0.00 8 Q 8.73 3.81 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 9 D 7.99 4.37 0.00 2.76 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 10 K 7.58 3.94 0.00 1.67 1.74 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 11 A 7.71 3.40 1.03 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 12 L 7.70 3.60 0.00 0.56 0.48 0.32 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.25 4.05 0.00 2.35 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 2.46 2.52 0.00 14 N 8.03 4.16 0.00 2.78 2.47 0.00 0.00 7.29 8.36 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 15 F 7.73 4.40 0.00 3.15 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 16 K 8.53 4.55 0.00 1.98 2.19 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.64 7.81 17 A 8.15 4.10 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 18 N 8.63 4.41 0.00 2.77 2.92 0.00 0.00 7.30 7.21 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 19 Q 7.99 3.50 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 20 T 7.92 3.92 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 1.24 0.00 0.00 21 E 8.63 4.34 0.00 1.94 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 0.00 2.24 2.35 0.00 22 V 8.64 4.41 1.77 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 -0.34 0.00 0.00 0.82 0.00 0.00 23 T 8.87 4.61 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 0.55 0.00 0.00 24 V 8.54 4.40 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 0.47 0.00 0.00 0.92 0.00 0.00 25 F 9.12 5.03 0.00 2.92 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 26 F 9.57 4.93 0.00 3.22 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 27 L 8.83 4.06 0.00 1.74 1.80 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.33 4.60 0.00 2.86 2.99 0.00 0.00 6.23 7.00 0.00 0.00 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 G 8.18 4.01 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 0.00 0.00 0.00 30 F 8.52 4.77 0.00 2.96 2.61 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 0.00 31 Q 5.77 5.20 0.00 1.58 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.50 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 32 M 8.10 4.59 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 33 K 8.22 4.68 0.00 1.61 1.60 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.33 7.81 34 G 8.40 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 0.00 0.00 0.00 35 V 8.45 4.90 2.09 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 0.99 0.00 0.00 0.93 0.00 0.00 36 I 8.38 4.37 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 1.01 0.00 0.00 37 E 9.13 4.39 0.00 1.89 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 2.29 2.30 0.00 38 E 7.91 4.95 0.00 1.88 1.78 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 2.25 2.30 0.00 39 Y 7.32 5.07 0.00 3.08 2.94 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 0.00 0.00 0.00 40 D 8.23 5.03 0.00 2.75 2.64 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 0.00 0.00 0.00 0.00 41 K 8.75 3.94 0.00 1.52 1.46 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 1.03 7.81 42 Y 8.23 4.77 0.00 3.09 3.11 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 0.00 43 V 8.54 4.91 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 0.57 0.00 0.00 1.05 0.00 0.00 44 V 8.25 4.75 2.16 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 1.02 0.00 0.00 1.05 0.00 0.00 45 S 9.24 5.05 0.00 3.95 3.86 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 46 L 9.13 5.20 0.00 1.79 1.56 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.53 5.19 0.00 3.06 2.70 0.00 0.00 6.14 7.83 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 48 S 8.82 4.88 0.00 3.94 3.75 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 49 Q 10.11 3.54 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 50 G 8.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 4.28 0.00 1.78 1.61 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.32 7.81 52 Q 8.34 4.65 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.46 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 53 H 9.07 4.95 0.00 3.27 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.66 4.78 0.00 1.61 1.53 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.65 4.60 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.84 0.00 0.00 56 Y 8.49 4.42 0.00 2.92 2.45 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 57 K 9.17 4.10 0.00 1.96 1.94 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.57 1.62 7.81 58 H 8.33 4.44 0.00 3.25 3.51 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.95 4.63 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.06 3.68 1.71 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.47 0.23 0.00 0.00 61 S 8.94 4.61 0.00 3.82 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 62 T 7.60 4.75 4.16 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 1.18 0.00 0.00 63 Y 8.76 5.16 0.00 2.91 2.78 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 64 T 9.06 4.74 4.52 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 0.00 0.00 0.00 1.31 0.00 0.00 65 V 8.27 4.26 2.13 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 0.85 0.00 0.00 1.00 0.00 0.00 66 E 8.52 4.26 0.00 1.89 1.77 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 2.18 2.21 0.00