NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9205 8.3549 109.7321 45.0331 0.0000 173.3445 2 S 4.1084 8.3494 116.3863 57.7999 63.3743 173.1147 3 S 4.5629 8.5739 120.8231 57.5396 67.3721 172.6357 4 G 3.7432 8.2059 118.6580 44.9563 0.0000 172.7091 5 S 4.4922 8.1578 119.7330 56.4359 64.2004 174.1293 6 S 4.2226 8.9677 124.4961 61.3107 62.7042 175.0882 7 G 4.2442 7.7229 105.5837 43.4890 0.0000 171.5600 8 L 4.7110 7.8574 118.2339 51.5489 45.1320 175.2397 9 P 4.4266 0.0000 0.0000 61.8046 31.9543 174.4884 10 P 4.7063 0.0000 0.0000 62.8695 29.4104 176.3262 11 G 5.0930 7.9135 127.0700 47.1820 0.0000 170.7409 12 W 4.3636 7.5585 119.2681 56.2290 29.9450 176.3356 13 Q 4.5649 8.2469 121.6303 54.2596 31.1943 174.7659 14 S 4.7783 7.9606 115.8132 56.9891 65.0754 172.6772 15 Y 4.8656 8.4567 121.8610 55.7997 41.7450 174.3452 16 L 5.4276 8.2061 119.1386 52.7997 45.1898 177.3603 17 S 4.7293 9.5734 118.1058 57.5693 64.3106 173.2642 18 P 4.6456 0.0000 0.0000 63.9639 30.9528 176.6555 19 Q 4.5354 8.8302 117.5596 55.6651 30.9283 175.1952 20 G 3.4531 7.6903 109.0027 45.5290 0.0000 173.8616 21 R 4.2506 8.0595 121.2250 56.6770 31.6410 174.9574 22 R 5.2525 8.6229 121.2729 54.6411 32.5738 173.7692 23 Y 4.8090 8.7580 122.9603 55.7713 42.4625 173.2399 24 Y 5.5053 7.9614 116.0453 56.6884 41.6699 175.3274 25 V 5.1385 8.4338 120.0273 61.9930 35.7328 172.8777 26 N 4.1337 8.7969 127.1313 53.3304 39.5411 175.7962 27 T 4.0496 8.1190 114.7882 64.2033 69.8997 176.4440 28 T 3.9874 7.6632 117.9598 66.4589 68.7900 176.1541 29 T 3.8710 8.5544 110.9139 62.5436 69.4927 173.9830 30 N 4.7842 7.9044 117.6924 53.8003 36.1098 173.6645 31 E 4.8072 7.5911 116.2380 54.8694 33.1161 176.9105 32 T 4.7124 8.5478 120.7750 63.3130 69.9443 173.7686 33 T 4.7251 8.7359 118.9736 60.5400 72.1702 172.0718 34 W 4.6362 8.6709 122.4726 54.4639 30.7641 175.7797 35 E 2.0000 8.2938 128.2077 55.6296 27.6525 175.4850 36 R 4.4986 7.3893 113.8072 54.8177 32.3859 173.8750 37 P 2.9700 0.0000 0.0000 61.6073 29.3262 176.3924 38 S 4.2670 7.2584 120.7835 57.9051 60.0548 173.3990 39 S 4.8156 7.8083 118.2335 58.5603 63.1877 174.2552 40 S 4.2646 8.5154 120.1968 59.1047 63.6918 174.0881 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 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.35 4.11 0.00 3.95 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 3 S 8.57 4.56 0.00 3.77 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 4 G 8.21 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.16 4.49 0.00 3.66 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 6 S 8.97 4.22 0.00 3.89 3.95 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 0.00 0.00 0.00 7 G 7.72 4.24 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 0.00 8 L 7.86 4.71 0.00 1.40 1.26 -0.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.43 0.00 2.31 2.18 0.00 3.47 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.86 0.00 10 P 0.00 4.71 0.00 2.20 2.15 0.00 3.95 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 2.00 1.97 0.00 11 G 7.91 5.09 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 12 W 7.56 4.36 0.00 3.02 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.25 4.56 0.00 2.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 14 S 7.96 4.78 0.00 3.81 3.58 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 15 Y 8.46 4.87 0.00 1.90 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 5.43 0.00 1.55 1.69 0.97 0.96 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 17 S 9.57 4.73 0.00 3.96 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 18 P 0.00 4.65 0.00 2.23 2.23 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 19 Q 8.83 4.54 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 20 G 7.69 3.45 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 0.00 21 R 8.06 4.25 0.00 2.10 2.13 0.00 3.23 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 22 R 8.62 5.25 0.00 1.89 1.82 0.00 3.40 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 23 Y 8.76 4.81 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 5.51 0.00 3.14 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 25 V 8.43 5.14 2.56 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 1.09 0.00 0.00 1.32 0.00 0.00 26 N 8.80 4.13 0.00 1.44 2.27 0.00 0.00 5.19 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 27 T 8.12 4.05 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 1.27 0.00 0.00 28 T 7.66 3.99 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 1.15 0.00 0.00 29 T 8.55 3.87 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 30 N 7.90 4.78 0.00 2.84 2.88 0.00 0.00 7.16 7.65 0.00 0.00 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 E 7.59 4.81 0.00 1.96 1.97 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 2.34 2.32 0.00 32 T 8.55 4.71 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 0.99 0.00 0.00 33 T 8.74 4.73 4.45 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 1.42 0.00 0.00 34 W 8.67 4.64 0.00 3.16 3.02 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 0.00 0.00 0.00 35 E 8.29 2.00 0.00 1.97 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 2.31 2.41 0.00 36 R 7.39 4.50 0.00 1.90 1.79 0.00 3.27 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 37 P 0.00 2.97 0.00 0.49 0.94 0.00 3.63 0.00 0.00 3.53 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 38 S 7.26 4.27 0.00 3.88 4.02 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 0.00 0.00 0.00 39 S 7.81 4.82 0.00 3.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.52 4.26 0.00 3.94 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