NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8475 8.2827 118.0982 53.3543 41.4531 172.0161 2 L 4.9729 8.3725 121.5643 53.4752 43.8373 174.3022 3 F 5.3947 9.6680 125.1642 55.5379 43.9686 173.9419 4 V 5.0546 8.7793 118.4304 59.8508 34.8548 174.8154 5 A 4.5910 9.0281 125.9462 52.1426 18.8010 178.4295 6 L 4.0154 8.9643 123.3724 56.9428 42.3548 176.6708 7 Y 4.9702 7.2805 113.4176 56.1841 42.3252 174.7278 8 D 5.0097 8.8514 120.8998 54.5976 42.0068 175.9716 9 F 5.1095 9.5201 124.3837 56.7524 43.1646 173.0255 10 V 4.3525 7.7885 125.4492 60.6043 32.7994 175.1754 11 A 4.0134 8.7643 130.5638 52.0534 18.9126 177.1833 12 S 4.4653 8.9292 114.2677 57.6884 64.2361 175.1978 13 G 3.7052 7.8405 108.8537 46.3932 0.0000 173.5808 14 D 4.0743 9.1504 116.8065 55.5292 38.3370 173.7143 15 N 4.3510 8.2590 112.3145 54.4592 35.9489 174.6210 16 T 4.9237 7.6201 107.9243 61.1464 70.0134 173.3970 17 L 4.8894 8.6620 124.5215 53.2630 44.5103 176.2571 18 S 4.6148 8.8009 122.2242 58.6241 63.7005 173.3653 19 I 4.9382 9.2216 123.8677 59.6301 41.7207 173.8218 20 T 5.0924 9.0445 124.4040 61.1563 71.2572 174.0595 21 K 4.0344 9.0222 127.1599 58.4616 32.5059 176.9500 22 G 3.9974 9.0706 115.5516 45.0030 0.0000 173.2793 23 E 4.1931 8.2711 121.8886 56.1230 30.7062 176.1044 24 K 5.0507 8.6072 125.6947 55.9874 33.7203 176.0120 25 L 4.8400 9.1238 122.6169 54.5687 44.4338 174.2157 26 R 4.9988 8.7595 121.6693 54.9028 32.0970 174.9970 27 V 4.0748 8.3887 127.2442 62.1285 31.4582 175.5519 28 L 4.2389 9.0218 128.7079 54.3843 42.7388 176.8966 29 G 3.9481 6.4089 105.1732 46.4117 0.0000 170.0983 30 Y 5.7026 8.1941 117.0236 56.2831 42.3113 174.7521 31 N 5.0181 9.0641 118.5324 51.6129 39.7648 176.0718 32 H 4.0474 8.9632 114.8187 58.7286 28.4873 175.6996 33 N 4.5169 7.7148 115.4807 51.4375 37.6247 176.4735 34 G 4.0588 8.3381 107.4454 45.8953 0.0000 174.7656 35 E 4.0066 7.7673 118.4317 58.1884 30.6760 176.9721 36 W 5.3769 8.8385 118.6307 54.8765 32.7840 174.5536 37 C 5.3168 9.5898 123.1263 57.6067 34.6538 172.2965 38 E 3.9693 9.2192 128.2076 55.3277 30.2947 175.0411 39 A 5.1078 8.9111 128.1234 50.0720 23.5674 174.1064 40 Q 4.9053 8.9533 119.7310 54.7897 32.4670 174.2590 41 T 5.2641 8.8699 116.6626 59.5004 71.5799 173.7680 42 K 4.0719 8.9581 119.6200 59.3066 33.0627 176.6121 43 N 4.9389 8.1972 116.0086 51.3527 37.2365 171.0848 44 G 3.7146 7.6643 103.8348 45.1068 0.0000 171.7219 45 Q 4.8050 9.1280 116.2774 53.4245 32.8236 174.9197 46 G 4.0756 7.4120 108.0818 44.3942 0.0000 171.5741 47 W 5.0704 8.3078 120.0990 56.6126 30.2899 176.6373 48 V 4.8258 9.3403 116.0251 58.8344 36.3863 173.0084 49 P 3.8809 0.0000 0.0000 62.4890 31.5155 177.9623 50 S 4.1746 8.7664 121.1714 61.7340 62.9514 175.5211 51 N 4.7636 8.0728 115.3956 54.7667 38.9817 174.2452 52 Y 4.9855 8.1687 114.6238 58.6983 39.1989 174.9583 53 I 5.2373 7.7211 112.5366 59.7261 41.2555 174.6012 54 T 4.8010 8.6106 115.6820 60.0573 71.0087 171.2599 55 P 3.8584 0.0000 0.0000 62.6376 31.8177 176.6427 56 V 3.7631 8.2929 116.0109 61.1271 33.2751 175.6484 57 N 4.2076 8.5975 116.2796 54.7294 36.0601 174.6467 58 S 4.2718 7.3601 114.5268 58.3891 62.5209 173.2587 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 N 8.28 4.85 0.00 3.53 3.00 0.00 0.00 6.50 5.85 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 2 L 8.37 4.97 0.00 1.88 1.54 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.67 5.39 0.00 2.88 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 4 V 8.78 5.05 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 0.75 0.00 0.00 1.00 0.00 0.00 5 A 9.03 4.59 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.96 4.02 0.00 0.32 0.47 0.72 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.28 4.97 0.00 2.44 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 5.01 0.00 2.70 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 9 F 9.52 5.11 0.00 3.23 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 10 V 7.79 4.35 1.90 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 0.73 0.00 0.00 0.88 0.00 0.00 11 A 8.76 4.01 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 4.47 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 3.71 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 0.00 0.00 0.00 14 D 9.15 4.07 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.35 0.00 3.22 3.06 0.00 0.00 6.76 7.05 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 16 T 7.62 4.92 4.67 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 0.00 0.00 0.00 1.13 0.00 0.00 17 L 8.66 4.89 0.00 1.84 1.66 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.80 4.61 0.00 3.81 3.79 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 19 I 9.22 4.94 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.72 1.16 0.00 0.00 20 T 9.04 5.09 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 1.33 0.00 0.00 21 K 9.02 4.03 0.00 1.75 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.50 7.81 22 G 9.07 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 23 E 8.27 4.19 0.00 2.13 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 24 K 8.61 5.05 0.00 1.70 1.75 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.39 7.81 25 L 9.12 4.84 0.00 1.74 1.72 1.06 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.76 5.00 0.00 1.91 1.78 0.00 3.07 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 27 V 8.39 4.07 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 0.22 0.00 0.00 -0.38 0.00 0.00 28 L 9.02 4.24 0.00 1.36 1.52 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 G 6.41 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 0.00 0.00 0.00 30 Y 8.19 5.70 0.00 2.92 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 31 N 9.06 5.02 0.00 2.62 2.68 0.00 0.00 7.13 7.90 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 32 H 8.96 4.05 0.00 3.30 3.51 0.00 5.51 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.71 4.52 0.00 2.83 2.89 0.00 0.00 6.13 7.42 0.00 0.00 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 G 8.34 4.06 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 0.00 0.00 0.00 35 E 7.77 4.01 0.00 1.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 36 W 8.84 5.38 0.00 3.13 3.15 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 0.00 0.00 0.00 0.00 37 C 9.59 5.32 0.00 3.12 2.91 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 0.00 0.00 0.00 38 E 9.22 3.97 0.00 1.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 39 A 8.91 5.11 1.07 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 0.00 0.00 40 Q 8.95 4.91 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.45 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 41 T 8.87 5.26 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 1.23 0.00 0.00 42 K 8.96 4.07 0.00 1.89 2.00 0.00 1.52 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.44 7.81 43 N 8.20 4.94 0.00 2.79 2.85 0.00 0.00 7.14 6.51 0.00 0.00 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 G 7.66 3.71 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 0.00 0.00 0.00 45 Q 9.13 4.81 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 46 G 7.41 4.08 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 0.00 0.00 0.00 47 W 8.31 5.07 0.00 3.13 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 48 V 9.34 4.83 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 1.02 0.00 0.00 0.98 0.00 0.00 49 P 0.00 3.88 0.00 1.27 1.13 0.00 2.75 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.67 0.00 50 S 8.77 4.17 0.00 3.92 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 51 N 8.07 4.76 0.00 2.69 2.95 0.00 0.00 6.89 7.54 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 52 Y 8.17 4.99 0.00 3.13 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 53 I 7.72 5.24 2.07 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 1.00 0.00 0.00 54 T 8.61 4.80 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 1.16 0.00 0.00 55 P 0.00 3.86 0.00 1.67 1.43 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.80 0.00 56 V 8.29 3.76 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 0.80 0.00 0.00 0.91 0.00 0.00 57 N 8.60 4.21 0.00 2.80 2.86 0.00 0.00 6.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.36 4.27 0.00 3.77 3.61 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