NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3973 8.3049 118.2325 55.1995 32.5370 174.2381 2 K 3.5969 8.5438 121.8172 54.9311 31.5451 173.7197 3 K 4.7692 8.7983 121.0824 56.9573 34.6985 175.3207 4 Y 5.1362 9.1056 117.7350 56.5300 42.5347 175.4758 5 T 4.2669 8.9582 113.6732 63.3837 69.4781 174.6766 6 C 4.3877 8.9084 122.9008 60.7294 31.2310 173.5991 7 T 4.2983 9.0572 113.4034 62.6064 72.8498 172.5984 8 V 4.5759 7.9102 116.0617 63.0283 36.3688 175.6274 9 C 4.2121 8.2678 114.5880 60.7376 29.8899 174.3974 10 G 4.2333 8.2930 108.2504 46.3200 0.0000 174.2584 11 Y 4.3146 7.8838 120.9381 54.9455 39.9404 173.6379 12 I 4.4209 8.1199 125.0512 61.2901 37.6646 174.8721 13 Y 4.4755 9.5461 129.3694 57.2769 40.4766 173.5662 14 N 5.1711 7.7523 124.2759 51.1066 41.3195 173.0504 15 P 4.2793 0.0000 0.0000 65.8115 31.8959 178.5012 16 E 4.1403 8.3198 117.3785 58.9083 29.5798 177.7088 17 D 4.3688 8.0366 117.3975 54.3489 41.8206 177.9132 18 G 3.7747 7.6725 107.2320 45.0705 0.0000 172.5718 19 D 4.8574 8.2778 112.9327 52.4659 41.9284 174.8137 20 P 4.3308 0.0000 0.0000 65.7356 32.1671 179.1942 21 D 4.5135 8.2074 117.8610 56.5895 40.7156 176.7425 22 N 4.7024 9.3912 115.2894 53.6252 39.9296 174.7265 23 G 3.2960 6.5700 106.4745 44.7148 0.0000 173.2307 24 V 4.0585 7.9407 122.5755 60.3991 31.9095 175.1501 25 N 4.7316 8.3964 125.2156 52.1321 39.1566 173.1505 26 P 4.2606 0.0000 0.0000 64.3608 31.7268 176.5465 27 G 3.8140 9.0185 108.4194 46.4194 0.0000 173.4409 28 T 4.2061 7.3475 115.9860 61.6797 68.9146 174.5323 29 D 4.4454 8.6025 126.6715 54.1554 41.6505 176.5138 30 F 2.6670 9.0454 127.8615 61.1574 38.7221 177.7401 31 K 4.0118 8.1609 117.3171 60.1532 32.5696 178.7712 32 D 4.3862 7.7111 118.5003 54.9949 41.0590 177.0660 33 I 3.3435 6.1614 119.5607 60.5155 37.6113 174.1555 34 P 4.3657 0.0000 0.0000 62.7525 31.7050 177.1013 35 D 4.5034 8.5898 120.5412 56.4462 40.9765 177.2221 36 D 4.4851 7.9826 117.8794 54.8400 40.0382 176.6149 37 W 4.2639 8.2711 131.1624 57.0482 31.3077 174.8496 38 V 4.1328 6.3807 122.0580 60.0452 34.3403 174.3769 39 C 3.3256 7.9168 122.7799 58.7993 31.7803 172.2375 40 P 4.3675 0.0000 0.0000 64.7931 31.1662 177.1405 41 L 4.7825 6.8697 117.2092 52.9670 42.6407 175.4342 42 C 4.6345 7.6626 115.5341 58.4621 34.4547 173.4534 43 G 4.0392 8.3672 114.2890 43.4729 0.0000 171.9825 44 V 4.2995 8.1894 122.0937 63.7248 35.8152 176.7739 45 G 3.9261 8.1333 106.6634 43.3585 0.0000 173.2976 46 K 4.3000 7.8558 119.5887 57.5391 32.2067 175.8750 47 D 4.7320 9.0687 121.5222 53.8876 44.3437 174.1318 48 Q 2.9411 8.1867 122.3425 56.7573 27.2737 174.1099 49 F 5.0819 6.3293 111.5786 54.7923 39.7150 176.9144 50 E 4.4320 9.1530 124.2924 55.4359 31.0638 175.6421 51 E 3.4022 8.5915 123.8575 55.7463 30.7434 176.1959 52 V 4.0672 8.0295 127.7757 60.6132 31.9775 176.5405 53 E 4.2958 8.2523 129.7431 55.2982 27.6581 176.8857 54 E 4.1018 7.9255 123.5194 57.5784 29.4707 177.4537 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 M 8.30 4.40 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.77 0.00 2 K 8.54 3.60 0.00 1.87 1.78 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.54 7.81 3 K 8.80 4.77 0.00 1.72 1.92 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.70 1.50 7.81 4 Y 9.11 5.14 0.00 3.12 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 0.00 0.00 0.00 0.00 5 T 8.96 4.27 4.34 0.00 0.00 0.00 0.00 0.00 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 6 C 8.91 4.39 0.00 3.54 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 7 T 9.06 4.30 4.49 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 1.28 0.00 0.00 8 V 7.91 4.58 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 0.91 0.00 0.00 0.96 0.00 0.00 9 C 8.27 4.21 0.00 3.18 3.17 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 10 G 8.29 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 0.00 0.00 0.00 0.00 11 Y 7.88 4.31 0.00 3.14 2.98 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 0.00 0.00 0.00 0.00 12 I 8.12 4.42 1.92 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 1.43 0.73 1.05 0.00 0.00 13 Y 9.55 4.48 0.00 3.47 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 5.17 0.00 2.71 2.55 0.00 0.00 7.31 7.68 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 15 P 0.00 4.28 0.00 2.37 2.68 0.00 3.83 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 16 E 8.32 4.14 0.00 2.08 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 0.00 2.33 2.35 0.00 17 D 8.04 4.37 0.00 2.67 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 18 G 7.67 3.77 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 0.00 0.00 0.00 19 D 8.28 4.86 0.00 2.70 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 20 P 0.00 4.33 0.00 2.21 2.30 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 21 D 8.21 4.51 0.00 2.71 2.81 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 22 N 9.39 4.70 0.00 3.25 3.02 0.00 0.00 7.36 7.92 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 23 G 6.57 3.30 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 0.00 24 V 7.94 4.06 1.89 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 0.76 0.00 0.00 0.01 0.00 0.00 25 N 8.40 4.73 0.00 2.75 2.69 0.00 0.00 6.78 8.02 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 26 P 0.00 4.26 0.00 2.15 2.20 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 27 G 9.02 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 28 T 7.35 4.21 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 1.00 0.00 0.00 29 D 8.60 4.45 0.00 2.68 2.70 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 30 F 9.05 2.67 0.00 2.57 2.19 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 0.00 31 K 8.16 4.01 0.00 1.98 1.96 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.46 7.81 32 D 7.71 4.39 0.00 2.72 2.68 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 0.00 0.00 0.00 33 I 6.16 3.34 1.20 0.00 0.00 -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 0.55 -0.29 0.04 0.00 0.00 34 P 0.00 4.37 0.00 2.40 2.16 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 35 D 8.59 4.50 0.00 2.69 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 36 D 7.98 4.49 0.00 2.78 2.81 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 37 W 8.27 4.26 0.00 3.28 3.17 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 38 V 6.38 4.13 1.70 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 0.65 0.00 0.00 0.83 0.00 0.00 39 C 7.92 3.33 0.00 2.75 2.84 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 40 P 0.00 4.37 0.00 1.81 2.05 0.00 2.97 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.13 0.00 41 L 6.87 4.78 0.00 1.60 1.65 1.05 0.77 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 42 C 7.66 4.63 0.00 2.91 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 43 G 8.37 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.19 4.30 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 0.84 0.00 0.00 0.96 0.00 0.00 45 G 8.13 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.86 4.30 0.00 2.20 2.22 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.70 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.57 1.55 7.81 47 D 9.07 4.73 0.00 2.72 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 48 Q 8.19 2.94 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 49 F 6.33 5.08 0.00 2.54 2.84 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 50 E 9.15 4.43 0.00 1.96 1.89 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 2.29 2.24 0.00 51 E 8.59 3.40 0.00 1.66 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 2.06 1.89 0.00 52 V 8.03 4.07 2.01 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 0.77 0.00 0.00 0.95 0.00 0.00 53 E 8.25 4.30 0.00 2.08 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 2.24 2.30 0.00 54 E 7.93 4.10 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00