NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2654 8.4449 120.2204 56.3628 31.1057 176.2914 2 E 3.8790 8.2451 120.0117 54.5162 27.8172 171.5036 3 Y 4.9610 7.4376 121.4616 57.9084 38.3313 175.6786 4 V 4.3312 9.1825 115.6335 62.8336 35.0934 178.2666 5 G 3.8746 8.2801 105.2109 46.7789 0.0000 173.4211 6 L 4.7767 7.8457 118.3015 55.0349 42.7145 175.9293 7 S 4.8818 7.8408 115.8828 57.3671 62.6949 172.5273 8 A 4.0794 8.4641 121.1876 53.9460 18.8576 175.4878 9 N 4.8885 9.0973 118.8051 53.8574 38.9402 176.4037 10 Q 3.9556 8.6137 119.0655 59.2643 29.1510 177.0058 11 C 4.6676 8.3410 114.6542 58.2943 43.6938 173.1816 12 A 4.7193 7.7750 120.9581 52.5021 18.4892 176.9232 13 V 3.6375 7.8442 113.9753 61.8617 32.2782 175.3395 14 P 4.3570 0.0000 0.0000 63.4271 31.6598 175.6596 15 A 3.4411 7.5669 119.1861 51.6360 15.4892 178.3401 16 K 5.0066 6.9561 119.9324 57.1765 34.2616 175.8318 17 D 4.4575 7.7888 112.9651 56.3704 43.5501 174.4305 18 R 4.3788 7.5043 117.4003 55.5016 31.8002 176.1859 19 V 4.0990 8.0931 115.8935 62.5184 31.6312 175.6691 20 D 4.1354 8.1084 110.8657 54.6126 38.3643 173.1700 21 C 4.0594 9.6879 127.3172 57.4808 44.3674 174.1768 22 G 3.8056 7.9086 105.8537 46.4559 0.0000 172.4599 23 Y 4.7554 7.4741 119.1345 55.7639 40.4395 174.0061 24 P 4.3179 0.0000 0.0000 64.6062 32.0340 175.7927 25 H 5.0371 6.9396 116.8610 54.9645 29.5127 174.5461 26 V 4.0236 8.2110 119.1112 62.5714 32.0636 175.2539 27 T 3.6392 8.1333 116.5570 60.3949 70.2596 171.1542 28 P 4.4097 0.0000 0.0000 60.8713 30.1893 175.2480 29 K 4.2598 7.0561 123.6678 56.3504 36.1359 175.4768 30 E 4.3948 7.6064 118.0384 58.6694 30.0619 178.8433 31 C 4.2471 8.1239 116.3573 60.1739 40.2370 175.7750 32 N 4.7180 8.0422 116.2745 54.5507 38.1845 175.4821 33 N 4.7346 7.8665 117.3600 54.3863 40.3675 175.8995 34 R 4.3088 8.4930 117.2831 57.8235 29.9443 176.0218 35 G 3.4613 7.3224 107.5411 45.1542 0.0000 173.1402 36 C 5.1462 8.8890 119.0480 53.8167 44.8369 171.7529 37 C 5.0587 8.8789 120.0229 54.7166 45.7936 172.3006 38 F 5.1263 8.6550 128.6305 57.4655 39.3644 173.3654 39 D 4.3737 8.8791 127.6422 51.4924 41.3174 176.1860 40 S 4.0984 8.2870 118.9435 58.1489 62.6251 170.3509 41 R 4.0584 8.1663 117.7625 59.0086 30.1567 176.2692 42 I 4.5509 8.3052 118.3995 58.7371 39.2027 175.1740 43 P 4.6840 0.0000 0.0000 64.6981 31.6224 177.2178 44 G 3.8677 8.1556 106.7495 45.9130 0.0000 173.5666 45 V 4.1507 7.1452 118.9991 58.5956 34.0270 173.6896 46 P 3.8323 0.0000 0.0000 62.3554 31.2156 176.2267 47 W 4.7379 7.3015 124.2411 56.4739 29.3563 176.7539 48 C 4.8402 8.2068 114.9549 56.3278 43.6408 172.2036 49 F 5.0860 7.8035 123.6607 55.4963 40.7885 173.6901 50 K 4.8125 8.4557 115.2217 54.9334 33.0638 173.3182 51 P 5.0528 0.0000 0.0000 64.7075 30.7379 177.6416 52 L 4.9860 8.7288 114.6387 54.5537 41.6506 179.5536 53 Q 3.9578 8.2533 121.0598 59.6571 29.0219 178.6726 54 E 3.8257 8.3564 118.2668 58.9656 29.0816 177.6146 55 A 3.7386 6.9866 118.7146 55.1119 18.7642 177.3898 56 E 4.5541 7.8256 112.9601 55.8401 30.5875 176.6577 57 C 4.4559 7.6755 117.9069 61.3427 33.1231 174.7518 58 T 3.9242 7.8395 113.5900 65.4281 67.1989 173.8123 59 F 4.3020 8.1585 125.8971 58.2892 39.3235 174.7585 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 E 8.44 4.27 0.00 2.04 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 0.00 2.22 2.35 0.00 2 E 8.25 3.88 0.00 2.11 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 2.29 2.33 0.00 3 Y 7.44 4.96 0.00 2.98 2.83 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 4 V 9.18 4.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.97 0.00 0.00 5 G 8.28 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 0.00 0.00 0.00 6 L 7.85 4.78 0.00 1.84 1.87 1.04 0.48 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 7 S 7.84 4.88 0.00 3.93 3.74 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 0.00 0.00 0.00 8 A 8.46 4.08 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 9 N 9.10 4.89 0.00 2.91 3.16 0.00 0.00 6.81 7.26 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 10 Q 8.61 3.96 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 11 C 8.34 4.67 0.00 3.02 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 12 A 7.77 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 3.64 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 1.04 0.00 0.00 0.86 0.00 0.00 14 P 0.00 4.36 0.00 2.15 2.14 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 15 A 7.57 3.44 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.96 5.01 0.00 1.83 1.82 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.10 1.13 7.81 17 D 7.79 4.46 0.00 2.54 2.55 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 0.00 0.00 0.00 0.00 18 R 7.50 4.38 0.00 1.54 1.74 0.00 2.63 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.19 0.00 19 V 8.09 4.10 2.10 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 0.79 0.00 0.00 0.94 0.00 0.00 20 D 8.11 4.14 0.00 2.61 2.64 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 21 C 9.69 4.06 0.00 3.04 3.08 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 22 G 7.91 3.81 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 0.00 0.00 0.00 23 Y 7.47 4.76 0.00 3.00 2.90 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 24 P 0.00 4.32 0.00 1.83 2.00 0.00 2.80 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.76 0.00 25 H 6.94 5.04 0.00 2.94 3.47 0.00 5.86 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 26 V 8.21 4.02 2.44 0.00 0.00 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 1.65 0.00 0.00 27 T 8.13 3.64 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 28 P 0.00 4.41 0.00 2.03 1.94 0.00 3.24 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 1.62 1.33 0.00 29 K 7.06 4.26 0.00 1.59 1.71 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.13 1.25 7.81 30 E 7.61 4.39 0.00 2.13 2.22 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 2.39 2.40 0.00 31 C 8.12 4.25 0.00 3.25 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 32 N 8.04 4.72 0.00 2.66 2.84 0.00 0.00 7.09 7.99 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 33 N 7.87 4.73 0.00 2.79 2.94 0.00 0.00 7.09 7.68 0.00 0.00 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 R 8.49 4.31 0.00 1.99 2.34 0.00 2.79 0.00 0.00 2.92 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.59 0.00 35 G 7.32 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 5.15 0.00 2.53 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 C 8.88 5.06 0.00 2.52 1.64 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 F 8.66 5.13 0.00 3.01 2.93 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 39 D 8.88 4.37 0.00 3.11 2.66 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 40 S 8.29 4.10 0.00 3.57 4.15 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 41 R 8.17 4.06 0.00 2.21 2.00 0.00 3.24 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 42 I 8.31 4.55 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.93 0.00 0.00 43 P 0.00 4.68 0.00 2.26 2.15 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 44 G 8.16 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 0.00 0.00 0.00 45 V 7.15 4.15 2.05 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 0.73 0.00 0.00 0.81 0.00 0.00 46 P 0.00 3.83 0.00 2.18 2.04 0.00 3.39 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 47 W 7.30 4.74 0.00 3.28 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 48 C 8.21 4.84 0.00 3.19 3.04 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 0.00 0.00 0.00 0.00 49 F 7.80 5.09 0.00 3.16 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 50 K 8.46 4.81 0.00 1.82 1.80 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.32 7.81 51 P 0.00 5.05 0.00 2.38 2.30 0.00 3.22 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 52 L 8.73 4.99 0.00 1.85 2.03 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.25 3.96 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 54 E 8.36 3.83 0.00 1.92 1.96 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 2.38 2.34 0.00 55 A 6.99 3.74 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 56 E 7.83 4.55 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 57 C 7.68 4.46 0.00 3.00 2.83 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 58 T 7.84 3.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 59 F 8.16 4.30 0.00 2.88 2.93 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