NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4159 8.3344 115.4126 58.3263 64.3960 171.9390 3 I 4.3797 7.7642 119.6300 57.0437 40.1394 173.9457 4 S 4.1475 8.9625 121.5997 60.6867 64.1929 174.1791 5 A 3.9974 7.9485 124.0010 52.4947 18.1331 177.5895 6 R 3.9789 8.6625 122.3365 58.1424 30.6864 176.2069 7 N 4.8207 7.8337 115.2823 51.6970 40.1791 174.4044 8 Q 4.7986 8.6353 123.0917 54.1325 31.8055 175.0787 9 L 4.6480 8.9252 125.9463 52.5421 43.7121 176.5336 10 K 4.5788 8.6731 124.4331 56.6473 33.6279 176.7126 11 G 4.2206 8.9548 110.4693 45.6743 0.0000 171.5024 12 K 5.2072 8.4922 118.5026 54.5763 35.7751 175.9556 13 V 4.2003 8.8114 123.5783 63.4511 32.0413 176.4379 14 V 4.4314 8.5107 120.2783 60.2213 33.3356 175.9498 15 G 4.2991 7.7819 107.1042 44.6862 0.0000 172.2388 16 L 5.0986 8.2638 124.9787 53.5436 45.4359 174.6066 17 K 4.5511 9.2528 127.5088 54.7393 35.2789 174.7525 18 K 4.6351 8.8834 127.0627 55.1663 33.4876 177.0934 19 G 4.2979 8.7519 114.9227 45.1653 0.0000 173.5665 20 V 4.0691 8.4378 111.4535 62.4317 33.1664 176.7636 21 V 4.2683 7.7277 118.6192 63.6881 33.7625 175.2490 22 T 5.2230 7.6990 108.5319 59.8679 72.8210 172.4100 23 A 5.0459 9.0776 121.5551 50.5496 23.2173 174.6675 24 E 5.0096 9.3994 121.6812 54.4665 31.9778 174.8873 25 V 4.7799 8.8481 126.8990 61.0266 34.9531 174.0116 26 V 4.7966 8.7804 127.9317 61.1634 33.8392 174.0034 27 L 5.1874 9.0027 128.2141 52.9682 44.7189 174.9770 28 E 4.8820 9.1493 125.2445 55.1764 30.7362 175.6308 29 I 4.8013 8.8462 121.7192 58.2229 41.2098 174.9954 30 A 3.9340 8.4829 124.0497 53.6833 18.5739 178.4574 31 G 3.8253 9.2702 106.9804 45.7976 0.0000 175.0822 32 G 3.9278 7.8581 105.9528 45.1657 0.0000 174.0326 33 N 4.6781 7.6104 116.1673 53.0525 39.8578 174.2013 34 K 5.1157 8.5122 119.8416 54.6868 35.5065 175.4331 35 I 4.6051 8.8840 123.3583 59.5890 41.2601 173.8950 36 T 5.0838 8.6064 125.3900 61.9706 70.4890 173.7739 37 S 4.7647 9.2069 120.3221 56.4599 66.1242 172.5153 38 I 5.0039 8.4355 126.6133 59.6336 39.0809 174.6386 39 I 4.8754 8.5906 120.1284 58.5246 41.8516 174.9506 40 S 4.6767 8.4682 116.3393 57.8224 63.7778 175.1397 41 L 3.9919 8.7989 124.6655 58.4084 41.6996 179.2591 42 D 4.3798 8.0768 118.5778 57.4055 40.7697 178.7738 43 S 4.1014 8.0838 115.6568 61.5047 62.8637 176.6069 44 V 3.5924 7.5831 120.5722 66.3444 31.0361 178.0093 45 E 4.0052 8.1998 118.0860 59.2695 29.1196 178.8565 46 E 3.9376 8.1939 118.6066 58.9321 29.8166 178.1615 47 L 4.3460 8.0492 116.8672 54.1763 42.1700 176.8439 48 G 3.8226 7.6694 106.9691 46.0105 0.0000 174.3450 49 V 3.6154 7.6350 119.6244 62.8140 32.1416 175.0674 50 K 4.4976 8.2423 123.8202 55.4829 35.1571 174.4907 51 E 4.1460 8.5619 119.1771 58.4018 29.6757 178.6082 52 G 4.0118 9.0571 112.1653 44.9947 0.0000 173.7604 53 A 4.1108 7.8178 122.2730 52.2494 19.6461 176.5117 54 E 4.8698 8.6956 121.4652 55.5228 30.5253 175.5308 55 L 4.9458 8.9999 124.0452 53.3957 47.0858 175.2681 56 T 5.0297 8.3610 115.3687 61.8596 71.2507 173.9646 57 A 4.3803 9.0646 129.1578 51.2444 20.2043 176.1407 58 V 4.8403 8.4037 122.3309 61.0440 33.6257 174.8440 59 V 4.4904 8.6803 127.5360 60.7726 34.7390 175.0854 60 K 4.2338 8.6673 127.0696 56.1866 32.9868 178.2108 61 S 4.1091 8.7824 118.9664 61.9723 62.9009 176.4404 62 T 4.1015 7.8664 107.8305 63.2792 68.6506 174.3190 63 D 4.6328 8.0617 121.5222 54.1330 41.3604 176.0711 64 V 4.1123 7.4834 120.5833 61.5826 32.0317 175.3316 65 M 4.4955 8.3857 126.8013 54.2773 33.4430 175.4101 66 I 4.4518 8.0709 120.9784 59.3499 39.6820 174.9346 67 L 4.5671 8.5257 126.2581 53.1411 43.8354 175.8190 68 A 4.3262 8.5769 127.6655 52.3084 19.1661 176.2283 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 2 S 8.33 4.42 0.00 3.99 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 3 I 7.76 4.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 0.91 0.00 0.00 4 S 8.96 4.15 0.00 4.02 3.98 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 5 A 7.95 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.66 3.98 0.00 1.81 2.00 0.00 3.34 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 7 N 7.83 4.82 0.00 2.87 2.75 0.00 0.00 6.58 7.88 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 8 Q 8.64 4.80 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 9 L 8.93 4.65 0.00 1.53 1.58 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.67 4.58 0.00 1.68 1.72 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.39 7.81 11 G 8.95 4.22 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 0.00 12 K 8.49 5.21 0.00 1.82 1.89 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.34 7.81 13 V 8.81 4.20 2.23 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 1.11 0.00 0.00 0.99 0.00 0.00 14 V 8.51 4.43 2.08 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 0.84 0.00 0.00 0.98 0.00 0.00 15 G 7.78 4.30 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 16 L 8.26 5.10 0.00 1.59 1.51 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.25 4.55 0.00 1.81 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 18 K 8.88 4.64 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 G 8.75 4.30 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 20 V 8.44 4.07 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 21 V 7.73 4.27 2.08 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 1.08 0.00 0.00 0.93 0.00 0.00 22 T 7.70 5.22 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 1.21 0.00 0.00 23 A 9.08 5.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.40 5.01 0.00 1.99 1.80 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 2.21 2.22 0.00 25 V 8.85 4.78 2.08 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 0.95 0.00 0.00 0.93 0.00 0.00 26 V 8.78 4.80 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 0.81 0.00 0.00 0.93 0.00 0.00 27 L 9.00 5.19 0.00 1.58 1.53 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.15 4.88 0.00 2.02 1.82 0.00 0.00 0.00 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 2.24 0.00 29 I 8.85 4.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.13 0.91 0.00 0.00 30 A 8.48 3.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.27 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.86 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 33 N 7.61 4.68 0.00 2.77 2.74 0.00 0.00 6.77 7.56 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 34 K 8.51 5.12 0.00 1.59 1.68 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.33 7.81 35 I 8.88 4.61 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.55 0.91 0.00 0.00 36 T 8.61 5.08 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 1.21 0.00 0.00 37 S 9.21 4.76 0.00 3.82 3.64 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 38 I 8.44 5.00 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.91 0.00 0.00 39 I 8.59 4.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.91 0.00 0.00 40 S 8.47 4.68 0.00 4.02 4.03 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 L 8.80 3.99 0.00 1.75 1.71 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.08 4.38 0.00 2.72 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 43 S 8.08 4.10 0.00 4.04 3.91 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 44 V 7.58 3.59 2.26 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.20 4.01 0.00 2.19 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 2.33 2.59 0.00 46 E 8.19 3.94 0.00 1.94 2.18 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 2.32 2.39 0.00 47 L 8.05 4.35 0.00 1.73 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 3.62 2.08 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 0.81 0.00 0.00 0.98 0.00 0.00 50 K 8.24 4.50 0.00 1.93 1.85 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.52 1.44 7.81 51 E 8.56 4.15 0.00 2.01 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 2.40 2.27 0.00 52 G 9.06 4.01 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 0.00 0.00 0.00 53 A 7.82 4.11 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 54 E 8.70 4.87 0.00 1.86 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 2.27 2.33 0.00 55 L 9.00 4.95 0.00 1.52 1.52 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.36 5.03 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 1.27 0.00 0.00 57 A 9.06 4.38 1.23 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 58 V 8.40 4.84 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 59 V 8.68 4.49 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 60 K 8.67 4.23 0.00 1.86 1.71 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.46 7.81 61 S 8.78 4.11 0.00 3.88 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 62 T 7.87 4.10 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 1.21 0.00 0.00 63 D 8.06 4.63 0.00 2.83 2.73 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 64 V 7.48 4.11 2.18 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 0.78 0.00 0.00 0.93 0.00 0.00 65 M 8.39 4.50 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 66 I 8.07 4.45 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.91 0.00 0.00 67 L 8.53 4.57 0.00 1.55 1.53 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.58 4.33 1.23 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