NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3328 8.4401 120.2273 55.9786 31.6016 176.2213 2 A 4.4408 7.3610 120.1993 50.1141 19.1684 174.0061 3 Q 4.9394 7.8032 120.4395 54.7326 32.4118 173.5227 4 T 4.7491 8.4112 109.3801 60.5924 72.7257 172.2045 5 E 5.7799 8.6458 122.3699 54.7786 31.5282 175.3854 6 T 4.7850 9.4635 120.6276 62.0676 72.1920 173.7587 7 C 5.0701 8.7363 116.6384 57.4022 42.8057 175.6368 8 T 4.1794 7.9021 114.9736 61.6223 64.5384 172.1540 9 V 4.3112 7.4106 123.0202 60.2960 35.0502 174.0949 10 A 4.2780 8.1197 124.7819 50.5028 18.8790 175.8506 11 P 4.2650 0.0000 0.0000 65.8119 31.6054 178.6773 12 R 3.9595 7.9320 112.9913 58.7811 29.0236 176.9008 13 E 4.4295 7.3301 114.2829 56.3273 30.8783 176.6751 14 R 3.6732 8.2105 119.0012 56.9170 30.5481 176.6085 15 Q 4.4674 8.6585 121.0867 54.3976 29.1493 174.1407 16 N 4.6944 8.7860 122.2471 54.4817 39.4367 174.9242 17 C 4.6880 9.4765 121.5471 55.4987 42.2769 173.7703 18 G 4.3912 8.8941 112.7025 45.5473 0.0000 172.9488 19 F 4.1862 8.9194 120.7974 56.0234 38.6766 173.9035 20 P 3.9550 0.0000 0.0000 65.6002 30.7850 178.7754 21 G 4.1669 8.3116 106.4776 47.5200 0.0000 173.9223 22 V 3.5799 6.8817 112.7313 61.5436 32.1279 176.1824 23 T 4.5204 8.0120 112.3829 59.6719 72.2576 173.7731 24 P 3.2564 0.0000 0.0000 65.6387 30.9529 179.0798 25 S 4.0984 7.6381 111.6241 61.2123 63.5259 176.2544 26 Q 4.0404 7.6133 121.7361 58.7920 28.5694 177.5364 27 C 4.0823 8.4031 119.4407 59.9296 38.2398 175.7070 28 A 3.7742 7.7825 121.2531 54.6978 17.6618 178.8332 29 N 4.2867 7.7943 114.8145 55.8508 38.9673 175.8092 30 K 4.3707 7.7618 119.4204 56.0112 33.2366 176.3918 31 G 4.1135 7.8117 107.4981 45.9349 0.0000 171.9270 32 C 5.0222 7.7542 115.2900 54.5664 44.2535 174.3805 33 C 4.5669 8.7138 117.1798 56.5357 41.5746 173.5378 34 F 4.7927 8.3805 122.5129 56.7039 41.6167 173.7040 35 D 4.7508 9.0636 127.7442 52.1511 43.3452 174.8987 36 D 3.6571 8.3111 125.7442 52.9405 39.8265 177.7032 37 T 3.9653 7.7624 112.0677 63.4403 69.6594 174.7812 38 V 4.1705 7.3598 122.2816 61.0708 32.3931 175.3704 39 R 4.7612 8.5394 126.2788 56.2811 31.6145 174.8241 40 G 4.2714 9.2457 109.3987 45.6932 0.0000 174.5492 41 V 4.1381 7.2106 111.1303 58.4823 33.2507 173.7153 42 P 4.3202 0.0000 0.0000 62.7148 31.7198 176.4084 43 W 4.8216 8.7411 123.6541 58.9622 30.4114 176.4552 44 C 5.1843 8.0180 121.8918 55.0805 41.0986 172.5869 45 F 5.3813 8.1786 120.4093 55.2624 41.3697 173.6737 46 Y 4.4829 9.3522 118.4974 57.6058 38.5040 176.1863 47 P 4.8438 0.0000 0.0000 62.5308 33.0909 174.7454 48 N 5.2332 8.5625 113.9523 51.9292 40.9215 173.5307 49 T 4.8625 8.5888 112.3515 60.9102 70.2758 174.0181 50 I 4.7781 8.5627 125.9174 59.5331 42.0042 173.6808 51 D 5.3249 8.6419 123.2362 52.7651 44.9145 176.3988 52 V 4.3843 8.5924 112.9516 58.5377 32.4406 172.0830 53 P 4.3092 0.0000 0.0000 61.5531 31.8429 175.8367 54 P 4.5085 0.0000 0.0000 62.4866 32.2185 174.4835 55 E 4.6438 7.8189 115.7744 57.4259 33.4588 175.2488 56 E 4.9524 7.7654 117.5500 57.2830 37.4300 175.1612 57 E 4.4918 8.2225 121.2925 55.9849 32.5511 175.4133 58 C 4.9383 8.7579 124.0853 60.0971 33.3812 173.5136 59 E 4.4984 8.0226 116.8001 57.2740 29.5809 176.0379 60 F 4.3977 8.2247 123.3019 57.6859 39.2416 175.8951 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 1 E 8.44 4.33 0.00 1.98 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 0.00 2.21 2.32 0.00 2 A 7.36 4.44 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 3 Q 7.80 4.94 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 4 T 8.41 4.75 4.26 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 1.22 0.00 0.00 5 E 8.65 5.78 0.00 1.89 1.95 0.00 0.00 0.00 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 2.18 0.00 6 T 9.46 4.79 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 7 C 8.74 5.07 0.00 2.95 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 8 T 7.90 4.18 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 9 V 7.41 4.31 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 0.91 0.00 0.00 1.05 0.00 0.00 10 A 8.12 4.28 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 11 P 0.00 4.26 0.00 2.12 2.07 0.00 3.56 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 2.08 2.02 0.00 12 R 7.93 3.96 0.00 1.89 2.08 0.00 2.99 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 13 E 7.33 4.43 0.00 2.08 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 2.23 2.22 0.00 14 R 8.21 3.67 0.00 1.42 1.04 0.00 2.51 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.42 0.00 15 Q 8.66 4.47 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 16 N 8.79 4.69 0.00 2.80 2.87 0.00 0.00 6.96 7.70 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 17 C 9.48 4.69 0.00 1.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.89 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.92 4.19 0.00 3.03 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 20 P 0.00 3.95 0.00 0.49 0.49 0.00 3.70 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 0.00 21 G 8.31 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 0.00 0.00 0.00 0.00 22 V 6.88 3.58 1.83 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 -1.21 0.00 0.00 1.08 0.00 0.00 23 T 8.01 4.52 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 24 P 0.00 3.26 0.00 1.87 1.71 0.00 3.32 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.42 0.00 25 S 7.64 4.10 0.00 3.96 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 0.00 26 Q 7.61 4.04 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 27 C 8.40 4.08 0.00 3.19 3.21 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 28 A 7.78 3.77 1.30 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 0.00 0.00 29 N 7.79 4.29 0.00 2.97 3.04 0.00 0.00 7.00 6.67 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 30 K 7.76 4.37 0.00 1.73 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.44 7.81 31 G 7.81 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 0.00 0.00 0.00 0.00 32 C 7.75 5.02 0.00 2.58 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 33 C 8.71 4.57 0.00 1.76 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.79 0.00 2.91 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 35 D 9.06 4.75 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.31 3.66 0.00 1.71 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 0.00 0.00 0.00 0.00 37 T 7.76 3.97 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 1.15 0.00 0.00 38 V 7.36 4.17 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 0.92 0.00 0.00 0.98 0.00 0.00 39 R 8.54 4.76 0.00 1.93 1.99 0.00 3.31 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 40 G 9.25 4.27 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 0.00 0.00 0.00 41 V 7.21 4.14 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 0.86 0.00 0.00 1.01 0.00 0.00 42 P 0.00 4.32 0.00 2.27 2.10 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 1.98 2.00 0.00 43 W 8.74 4.82 0.00 2.93 2.52 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 0.00 44 C 8.02 5.18 0.00 2.89 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.18 5.38 0.00 3.29 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 46 Y 9.35 4.48 0.00 2.91 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 47 P 0.00 4.84 0.00 2.24 2.14 0.00 3.96 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 48 N 8.56 5.23 0.00 2.89 2.98 0.00 0.00 7.21 6.64 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 49 T 8.59 4.86 4.26 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 1.23 0.00 0.00 50 I 8.56 4.78 1.89 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 1.06 0.93 0.00 0.00 51 D 8.64 5.32 0.00 2.64 2.54 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 52 V 8.59 4.38 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 0.90 0.00 0.00 0.96 0.00 0.00 53 P 0.00 4.31 0.00 2.14 2.05 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 54 P 0.00 4.51 0.00 2.01 2.20 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 55 E 7.82 4.64 0.00 1.72 1.68 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 1.47 1.47 0.00 56 E 7.77 4.95 0.00 2.20 2.11 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 2.05 2.27 0.00 57 E 8.22 4.49 0.00 2.14 1.71 0.00 0.00 0.00 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 2.52 0.00 58 C 8.76 4.94 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.02 4.50 0.00 1.65 1.75 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 2.17 2.16 0.00 60 F 8.22 4.40 0.00 3.00 2.96 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