NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9220 8.3549 109.7345 44.8170 0.0000 173.2970 2 S 4.0206 8.3176 115.6347 57.7177 63.1705 173.4919 3 S 4.2794 9.2767 122.0142 58.1997 64.2588 172.6843 4 P 4.4595 0.0000 0.0000 64.8444 32.3622 176.1022 5 K 5.2672 8.0453 116.8366 54.4846 36.7673 174.9996 6 A 5.1846 8.8626 122.1076 50.4057 23.2182 175.0208 7 V 4.7117 8.5296 119.0372 60.7437 34.4303 174.8437 8 A 4.3170 8.4786 129.8496 52.0911 18.6468 178.3981 9 L 3.8630 8.8488 123.8774 57.0596 42.3792 176.8773 10 Y 4.9921 7.6965 113.5848 55.8209 42.2020 175.5010 11 S 4.7792 8.9268 115.7574 58.5367 64.5709 173.3362 12 F 4.7445 8.8187 123.5307 56.7088 41.4210 175.1710 13 A 3.6871 8.3679 128.9350 51.9773 19.3919 178.2202 14 G 3.6102 6.3340 99.4640 45.4708 0.0000 172.5937 15 E 4.4986 9.3352 116.7928 55.5553 32.0250 174.7278 16 E 4.8415 8.0642 114.9215 53.7564 32.9683 176.3773 17 S 4.1329 8.7352 113.6300 61.1657 63.2659 175.3474 18 G 3.9407 8.0292 107.9916 45.7712 0.0000 172.8421 19 D 5.2419 7.9427 119.9965 54.0084 42.1816 176.4330 20 L 4.7870 8.8468 123.1785 52.5842 42.2015 174.0075 21 P 4.5493 0.0000 0.0000 62.4524 32.3659 175.1435 22 F 4.9254 8.4547 116.2373 56.5249 41.7137 172.8654 23 R 5.0344 9.3794 118.7446 53.7322 33.2355 175.8490 24 K 4.0324 8.7726 121.5719 58.7643 32.2780 176.9995 25 G 3.9676 8.9397 115.1036 45.0614 0.0000 173.3255 26 D 4.5140 7.9478 120.1743 54.2021 42.3167 175.7035 27 V 4.4484 8.2156 121.9898 61.6605 32.7403 174.7657 28 I 4.4188 8.4353 130.1843 59.9701 39.3207 175.3275 29 T 4.4365 8.5811 124.3527 63.1740 69.4490 174.0062 30 I 4.4384 8.5565 129.1482 61.0689 37.0156 175.9688 31 L 4.4972 8.8642 127.8157 56.1061 43.1078 177.6855 32 K 4.6836 7.7505 117.4745 54.9517 36.6179 175.4086 33 K 4.3984 8.2710 122.8285 55.3490 36.1493 174.3978 34 S 4.7823 7.6689 114.1992 56.2077 65.6112 173.5669 35 D 4.5398 8.6481 118.4423 55.7219 40.7838 176.3678 36 S 4.8832 7.9196 114.3242 56.5713 63.9718 173.9075 37 Q 3.7673 8.6790 125.2248 57.2066 29.5863 175.9678 38 N 4.5581 7.5360 119.0066 51.1474 37.6545 171.7575 39 D 4.6696 6.9234 119.4000 53.8682 45.6401 174.1925 40 W 4.7481 8.9300 120.2611 54.5966 31.4859 175.7980 41 W 4.9664 7.8553 123.1371 55.3876 32.4421 174.4071 42 T 5.2597 8.8129 117.5041 62.2509 70.6065 174.4847 43 G 4.8484 9.5528 112.1602 45.1266 0.0000 170.9572 44 R 5.4407 8.8302 119.6312 54.5217 33.1067 174.4013 45 V 4.5477 9.1403 123.5231 61.3617 35.1795 172.7231 46 N 4.2522 10.0523 117.1195 54.4327 36.0901 175.4928 47 G 3.9896 8.8149 103.7817 45.4516 0.0000 173.8689 48 R 4.7899 8.1446 117.7685 54.0171 33.9071 173.8385 49 E 5.2565 9.0159 119.3615 53.7897 32.5933 175.9521 50 G 4.0699 7.8513 111.2795 46.1773 0.0000 171.2425 51 I 5.7556 7.7977 112.5129 59.1878 40.6400 174.6402 52 F 4.6756 8.0220 116.1542 54.7523 41.2407 171.2761 53 P 3.0784 0.0000 0.0000 62.1377 31.3790 177.2702 54 A 3.4288 8.2333 128.4713 54.0731 18.2286 178.2731 55 N 4.5547 7.6916 111.1703 54.1926 37.8026 175.1547 56 Y 4.4487 8.1560 116.9727 58.7056 38.4722 174.9540 57 V 4.9550 7.4462 112.6050 59.4210 36.2018 174.3967 58 E 4.6885 8.8680 123.3049 54.0220 32.0190 175.2488 59 L 4.3802 8.8056 127.0452 54.8436 42.5200 177.4979 60 V 3.7362 8.3397 122.0736 63.2392 31.4088 175.5634 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 8.32 4.02 0.00 3.85 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 3 S 9.28 4.28 0.00 3.94 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 4 P 0.00 4.46 0.00 2.06 2.09 0.00 3.52 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 5 K 8.05 5.27 0.00 1.64 1.68 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.40 7.81 6 A 8.86 5.18 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 7 V 8.53 4.71 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 0.96 0.00 0.00 0.88 0.00 0.00 8 A 8.48 4.32 1.18 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 0.00 0.00 0.00 9 L 8.85 3.86 0.00 1.41 1.04 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.70 4.99 0.00 2.58 2.75 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 11 S 8.93 4.78 0.00 4.04 3.97 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 12 F 8.82 4.74 0.00 2.53 1.45 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 13 A 8.37 3.69 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 14 G 6.33 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 0.00 0.00 0.00 15 E 9.34 4.50 0.00 1.87 1.94 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 2.20 2.21 0.00 16 E 8.06 4.84 0.00 2.12 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 0.00 2.24 2.39 0.00 17 S 8.74 4.13 0.00 4.01 4.05 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 18 G 8.03 3.94 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 0.00 0.00 0.00 19 D 7.94 5.24 0.00 2.79 2.92 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 20 L 8.85 4.79 0.00 1.83 2.12 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.55 0.00 1.94 1.80 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 22 F 8.45 4.93 0.00 3.17 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 23 R 9.38 5.03 0.00 1.78 1.91 0.00 3.36 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 24 K 8.77 4.03 0.00 1.74 1.78 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.49 7.81 25 G 8.94 3.97 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 0.00 0.00 0.00 26 D 7.95 4.51 0.00 2.70 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 27 V 8.22 4.45 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 0.76 0.00 0.00 0.89 0.00 0.00 28 I 8.44 4.42 1.58 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.06 0.68 0.00 0.00 29 T 8.58 4.44 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 30 I 8.56 4.44 1.96 0.00 0.00 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 1.33 0.88 0.82 0.00 0.00 31 L 8.86 4.50 0.00 1.59 1.75 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.75 4.68 0.00 1.67 1.61 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 33 K 8.27 4.40 0.00 0.79 0.74 0.00 0.85 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.86 0.89 7.81 34 S 7.67 4.78 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.54 0.00 2.74 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 36 S 7.92 4.88 0.00 3.93 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 37 Q 8.68 3.77 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.32 0.00 0.00 0.00 0.00 0.00 2.00 2.44 0.00 38 N 7.54 4.56 0.00 2.69 2.76 0.00 0.00 6.90 7.76 0.00 0.00 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 D 6.92 4.67 0.00 2.87 2.65 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 0.00 0.00 0.00 0.00 40 W 8.93 4.75 0.00 3.06 3.03 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 41 W 7.86 4.97 0.00 2.44 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.81 5.26 4.32 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 0.00 0.00 1.32 0.00 0.00 43 G 9.55 4.85 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 0.00 0.00 0.00 44 R 8.83 5.44 0.00 1.91 1.78 0.00 3.16 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 45 V 9.14 4.55 2.03 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 0.72 0.00 0.00 0.96 0.00 0.00 46 N 10.05 4.25 0.00 2.92 2.96 0.00 0.00 7.11 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 47 G 8.81 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 4.79 0.00 1.92 1.85 0.00 3.12 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 49 E 9.02 5.26 0.00 1.94 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 0.00 2.26 2.47 0.00 50 G 7.85 4.07 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 0.00 51 I 7.80 5.76 2.17 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 1.03 0.00 0.00 52 F 8.02 4.68 0.00 2.72 3.24 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 53 P 0.00 3.08 0.00 1.56 0.75 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.44 0.00 54 A 8.23 3.43 -0.45 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 55 N 7.69 4.55 0.00 2.80 2.97 0.00 0.00 6.04 7.55 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 56 Y 8.16 4.45 0.00 3.33 3.37 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 0.00 57 V 7.45 4.95 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 0.39 0.00 0.00 1.15 0.00 0.00 58 E 8.87 4.69 0.00 1.96 1.73 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 2.18 2.24 0.00 59 L 8.81 4.38 0.00 1.65 1.66 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.34 3.74 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 0.70 0.00 0.00 0.92 0.00 0.00