NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0991 8.3544 108.0362 46.4007 0.0000 171.9805 2 Q 4.6385 8.8373 121.5686 53.4030 30.7252 173.2943 3 R 4.0952 9.1924 129.3428 56.5383 31.9148 174.5341 4 A 5.0710 8.6389 126.9683 50.6765 23.8928 174.7166 5 V 4.8327 8.3670 117.6976 59.5634 34.6973 175.2369 6 A 4.5297 9.0241 126.5197 52.3813 18.7288 178.0596 7 L 4.0937 9.0574 122.2924 55.8249 42.8235 176.4754 8 Y 4.5560 7.4537 113.9774 55.6257 41.9145 175.0509 9 D 4.7883 8.6473 120.8842 54.7858 42.2905 176.0140 10 F 5.1670 9.3896 123.6598 57.0665 42.8182 172.8476 11 E 4.3142 8.7942 128.1062 53.6683 30.1992 173.8909 12 P 4.1250 0.0000 0.0000 62.7560 31.9289 176.3090 13 E 4.5984 8.9916 118.9268 56.1308 31.4471 176.0705 14 N 5.1089 7.8293 115.6582 50.9165 42.3382 174.9799 15 D 4.3954 8.6505 120.0295 55.6145 39.8695 176.6583 16 N 4.6899 8.0630 116.8115 52.9004 37.7711 173.7881 17 E 5.1685 7.5939 118.5111 55.1196 31.8268 174.9744 18 L 4.6669 8.5250 124.9366 53.2556 43.4330 176.2119 19 R 4.2791 8.7291 127.2950 56.5686 30.8523 175.4183 20 L 5.0954 8.9851 124.7302 52.8853 46.0555 175.1177 21 A 5.1819 8.9792 123.4342 49.5618 21.9769 175.5270 22 E 3.7505 9.0724 122.2828 58.1767 29.9270 177.7737 23 G 3.9565 8.9195 114.9741 45.0550 0.0000 173.4030 24 D 4.5118 7.9878 120.5561 54.4787 42.0518 175.5859 25 I 4.4747 8.2269 123.5800 60.8944 38.1296 175.5282 26 V 4.7213 8.4834 119.1484 59.5045 36.5573 174.3860 27 F 5.2177 8.9718 119.8962 55.8285 42.1552 174.7546 28 I 4.4082 9.0649 125.9976 61.5988 37.6566 176.8773 29 S 4.4992 9.1745 124.6484 60.7793 63.4879 174.0009 30 Y 4.7272 7.5006 114.8624 56.0307 40.1690 172.7267 31 K 4.6014 8.6531 121.9069 55.5395 32.7730 175.9126 32 H 4.5108 8.8336 127.0256 56.7366 30.3463 174.9609 33 G 3.9532 7.8435 105.7513 45.1694 0.0000 170.4564 34 Q 4.0154 8.4688 118.5717 57.9855 28.7880 177.7405 35 G 3.7616 9.3835 111.1462 44.9014 0.0000 172.0229 36 W 5.4398 8.1874 119.2323 54.7905 33.4354 174.3109 37 L 5.0784 8.9674 123.5516 52.9811 44.8742 175.3697 38 V 4.5350 8.4195 121.7241 61.6528 33.0330 174.7441 39 A 5.4357 9.1216 128.9657 50.1161 23.0636 174.2586 40 E 5.2821 9.0242 117.2587 54.2182 33.1953 175.5701 41 N 4.9687 8.7555 119.2866 52.4186 38.7395 175.3519 42 E 4.1530 9.1014 119.5606 59.4739 29.4326 177.8220 43 S 4.3318 8.1710 109.9819 58.2440 63.7504 174.8449 44 G 3.9555 8.3116 109.3591 46.1181 0.0000 174.8209 45 S 4.3733 7.9403 114.6969 59.5018 63.7995 174.5780 46 K 4.7306 8.0687 120.2102 54.6760 35.6086 174.8198 47 T 5.2047 8.8630 111.2438 59.5616 72.3048 172.9397 48 G 4.1293 8.2529 110.5936 45.9970 0.0000 171.7652 49 L 4.8761 8.1575 120.5400 55.0250 42.6949 177.2774 50 V 4.8229 8.8990 114.8258 58.8537 36.7912 173.2723 51 P 3.4492 0.0000 0.0000 61.7281 31.4665 177.4572 52 E 3.7845 8.1460 124.0321 59.3196 29.6240 178.3861 53 E 4.1978 7.6806 115.6185 57.8781 29.8684 177.0339 54 F 5.0439 8.0881 117.5974 57.4797 39.4692 175.2849 55 V 4.9362 7.2521 112.2066 59.4635 35.5713 175.0576 56 S 4.4764 8.2564 115.8122 56.6069 65.3773 172.8564 57 Y 4.5805 8.4937 125.0635 58.0079 38.6244 175.4904 58 I 4.0421 8.2997 125.1830 61.2084 37.9211 176.3243 59 Q 4.3157 8.5014 125.2857 56.8827 29.6241 173.6422 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 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.84 4.64 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 3 R 9.19 4.10 0.00 2.02 1.84 0.00 3.22 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.30 0.00 4 A 8.64 5.07 0.90 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 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.37 4.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.94 0.00 0.00 6 A 9.02 4.53 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 L 9.06 4.09 0.00 1.58 1.33 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.45 4.56 0.00 1.43 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 0.00 0.00 0.00 0.00 9 D 8.65 4.79 0.00 2.62 2.67 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 0.00 10 F 9.39 5.17 0.00 3.31 3.05 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 11 E 8.79 4.31 0.00 1.96 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 2.17 2.29 0.00 12 P 0.00 4.13 0.00 1.93 1.88 0.00 3.47 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 13 E 8.99 4.60 0.00 1.92 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 2.23 2.41 0.00 14 N 7.83 5.11 0.00 2.80 2.58 0.00 0.00 6.90 8.08 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 15 D 8.65 4.40 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.06 4.69 0.00 2.83 3.03 0.00 0.00 6.18 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.59 5.17 0.00 1.97 2.14 0.00 0.00 0.00 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 2.17 0.00 18 L 8.52 4.67 0.00 1.80 1.71 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.73 4.28 0.00 1.82 1.83 0.00 3.22 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 20 L 8.99 5.10 0.00 1.87 1.62 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.98 5.18 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 22 E 9.07 3.75 0.00 1.82 1.85 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 2.21 2.29 0.00 23 G 8.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.51 0.00 2.69 2.61 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 25 I 8.23 4.47 1.84 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 1.30 0.73 0.65 0.00 0.00 26 V 8.48 4.72 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 0.74 0.00 0.00 0.89 0.00 0.00 27 F 8.97 5.22 0.00 2.94 2.97 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 28 I 9.06 4.41 2.14 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.09 1.04 0.00 0.00 29 S 9.17 4.50 0.00 4.00 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 30 Y 7.50 4.73 0.00 3.17 2.99 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 31 K 8.65 4.60 0.00 1.82 1.86 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.47 7.81 32 H 8.83 4.51 0.00 3.03 3.33 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.84 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 34 Q 8.47 4.02 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 35 G 9.38 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.19 5.44 0.00 3.23 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.97 5.08 0.00 1.54 1.53 0.90 1.05 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 38 V 8.42 4.54 1.34 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 0.99 0.00 0.00 0.45 0.00 0.00 39 A 9.12 5.44 1.24 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 40 E 9.02 5.28 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 41 N 8.76 4.97 0.00 2.95 3.08 0.00 0.00 6.80 7.06 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 42 E 9.10 4.15 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 43 S 8.17 4.33 0.00 4.04 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 44 G 8.31 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.37 0.00 3.96 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 46 K 8.07 4.73 0.00 1.82 1.71 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.42 7.81 47 T 8.86 5.20 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 1.26 0.00 0.00 48 G 8.25 4.13 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 0.00 0.00 0.00 49 L 8.16 4.88 0.00 1.53 1.65 0.55 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.90 4.82 2.00 0.00 0.00 0.00 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 0.90 0.00 0.00 51 P 0.00 3.45 0.00 0.72 0.57 0.00 2.76 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 52 E 8.15 3.78 0.00 1.89 1.74 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 2.24 2.27 0.00 53 E 7.68 4.20 0.00 1.80 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 2.14 2.14 0.00 54 F 8.09 5.04 0.00 2.96 2.99 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 55 V 7.25 4.94 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 0.59 0.00 0.00 0.71 0.00 0.00 56 S 8.26 4.48 0.00 3.81 3.56 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 57 Y 8.49 4.58 0.00 2.94 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 58 I 8.30 4.04 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.92 0.00 0.00 59 Q 8.50 4.32 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00