NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A R 4.2626 8.2544 119.7063 56.0838 30.0334 173.7930 1B K 4.1066 7.7800 121.8290 55.7346 35.5303 177.2066 1C L 4.4857 8.6640 119.2335 54.9365 41.3891 180.5596 1 C 3.7913 6.9128 131.3787 60.5225 40.3930 175.5596 2 S 4.0308 7.9588 114.0126 59.7260 63.0484 174.1124 3 L 4.2250 8.6630 124.5018 54.0995 41.0155 175.3955 4 D 4.5126 8.9085 129.3526 55.6145 39.7098 173.3631 5 N 4.3354 8.3669 110.5271 53.0913 37.8792 174.2505 6 G 3.6633 8.6944 101.2520 45.7951 0.0000 174.6902 7 D 4.5518 8.6710 116.4731 54.3001 40.4764 173.5300 8 C 4.6463 7.8816 114.6411 56.9991 41.1607 173.6333 9 D 4.5600 8.2482 121.8378 56.8600 42.1837 177.8144 10 Q 4.4185 7.4275 111.7908 55.5744 31.0667 179.6133 11 F 4.6867 6.7122 126.6994 58.8447 40.0405 172.5750 12 C 5.3529 8.8112 121.9180 55.2454 48.0537 172.4897 13 H 4.9842 8.8940 123.6953 54.9535 33.5619 172.1103 14 E 4.7004 8.7188 125.3495 55.2021 29.7661 175.6824 15 E 4.1437 8.4647 127.0322 55.0508 29.4857 176.0769 16 Q 3.3176 9.2049 128.3456 56.7914 26.1867 171.0755 17 N 4.2635 8.5564 119.8691 54.1701 40.7479 173.2437 18 S 4.4023 8.5448 116.2220 58.5351 62.9419 167.9532 19 V 4.3439 7.8837 125.4198 62.7895 32.9163 175.6035 20 V 4.3744 8.6404 125.5446 61.8899 34.4342 173.4451 21 C 5.4392 8.9144 125.5796 56.1938 41.5991 172.7657 22 S 4.8235 8.7049 114.7290 57.5012 66.7868 171.8130 23 C 4.7326 8.4954 115.7639 54.4683 38.5409 174.1927 24 A 4.3685 8.4319 124.6398 51.7276 18.7029 177.4921 25 R 4.1095 8.4291 119.0225 57.8770 30.4086 177.5939 26 G 4.0838 9.3531 110.2006 45.1466 0.0000 172.0550 27 Y 5.2891 7.6588 116.0997 56.3014 41.8858 175.1136 28 T 4.7193 9.1409 111.0696 59.4335 72.2769 173.0479 29 L 4.4485 8.7355 126.8808 55.4188 42.7336 176.5470 30 A 4.2626 9.1985 128.6913 51.3497 19.5732 177.5556 31 D 4.2884 8.9040 118.4556 57.6671 41.0455 177.4614 32 N 4.3604 8.1027 114.0324 53.6592 37.3745 175.5919 33 G 3.9606 8.4089 107.3823 46.1185 0.0000 173.4582 34 K 4.4962 8.8730 117.6218 57.6744 34.8143 176.8071 35 A 4.5039 8.3418 121.0377 52.3128 19.9289 176.3892 36 C 5.3379 8.8520 117.3104 55.3482 40.8013 173.7356 37 I 4.5634 8.9748 125.8134 59.1770 38.6750 173.8952 38 P 4.0554 0.0000 0.0000 63.1520 31.5215 176.4492 39 T 4.0603 8.6578 121.3935 65.7449 69.2147 175.4415 40 G 4.0562 7.4927 107.3847 42.9853 0.0000 171.3386 41 P 4.1719 0.0000 0.0000 64.8166 31.6317 176.8271 42 Y 4.6279 7.4125 114.5733 55.0924 37.8359 173.0897 43 P 4.3255 0.0000 0.0000 61.8850 32.6534 176.9435 44 C 4.0905 8.5934 115.4148 59.8998 29.7334 174.2990 45 G 3.9519 8.8116 108.0015 45.8777 0.0000 173.3065 46 K 4.6043 7.4720 118.0369 54.2433 33.7797 176.4535 47 Q 4.1906 8.5593 123.2182 55.8442 29.3828 175.7867 48 T 4.3192 8.4280 112.4570 61.3291 69.5863 174.5690 49 L 4.5209 8.3812 125.4042 54.7380 42.7851 176.2958 50 E 4.3615 7.8718 121.6541 56.8492 28.9250 175.0120 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 1A R 8.25 4.26 0.00 1.82 2.07 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 1B K 7.78 4.11 0.00 1.77 1.60 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.52 7.81 1C L 8.66 4.49 0.00 1.94 0.92 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 1 C 6.91 3.79 0.00 3.04 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 2 S 7.96 4.03 0.00 3.86 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 3 L 8.66 4.22 0.00 1.64 1.74 0.92 1.13 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 4 D 8.91 4.51 0.00 2.93 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.37 4.34 0.00 2.98 2.79 0.00 0.00 7.58 7.91 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 6 G 8.69 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.67 4.55 0.00 2.76 2.82 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 8 C 7.88 4.65 0.00 3.02 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 9 D 8.25 4.56 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.43 4.42 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.93 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 11 F 6.71 4.69 0.00 3.11 2.82 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 12 C 8.81 5.35 0.00 3.08 2.94 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 13 H 8.89 4.98 0.00 3.29 3.11 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.72 4.70 0.00 1.82 1.86 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 2.23 2.27 0.00 15 E 8.46 4.14 0.00 1.96 1.86 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 2.29 2.32 0.00 16 Q 9.20 3.32 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.69 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 17 N 8.56 4.26 0.00 2.84 2.81 0.00 0.00 7.43 7.63 0.00 0.00 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 S 8.54 4.40 0.00 4.01 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 19 V 7.88 4.34 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 0.80 0.00 0.00 0.92 0.00 0.00 20 V 8.64 4.37 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 0.94 0.00 0.00 0.94 0.00 0.00 21 C 8.91 5.44 0.00 3.00 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 22 S 8.70 4.82 0.00 4.03 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 23 C 8.50 4.73 0.00 2.78 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 24 A 8.43 4.37 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 25 R 8.43 4.11 0.00 1.89 1.96 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 26 G 9.35 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 27 Y 7.66 5.29 0.00 2.80 2.76 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 28 T 9.14 4.72 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 1.22 0.00 0.00 29 L 8.74 4.45 0.00 1.67 1.64 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.20 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.90 4.29 0.00 2.65 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 32 N 8.10 4.36 0.00 2.85 2.93 0.00 0.00 6.03 7.00 0.00 0.00 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 G 8.41 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 34 K 8.87 4.50 0.00 1.63 1.91 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.56 7.81 35 A 8.34 4.50 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 36 C 8.85 5.34 0.00 2.65 2.87 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 37 I 8.97 4.56 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 0.90 0.00 0.00 38 P 0.00 4.06 0.00 1.74 1.56 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 39 T 8.66 4.06 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 40 G 7.49 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 41 P 0.00 4.17 0.00 1.99 1.95 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 42 Y 7.41 4.63 0.00 2.92 2.85 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 43 P 0.00 4.33 0.00 1.73 1.69 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.74 0.00 44 C 8.59 4.09 0.00 3.19 3.10 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 45 G 8.81 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 46 K 7.47 4.60 0.00 1.97 1.78 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.58 7.81 47 Q 8.56 4.19 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.43 4.32 4.45 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 1.42 0.00 0.00 49 L 8.38 4.52 0.00 1.63 1.75 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.87 4.36 0.00 2.04 1.86 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 2.13 2.23 0.00