NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8465 8.3544 109.7365 45.1634 0.0000 173.7926 2 S 3.9240 7.8339 112.5785 58.1773 63.2436 172.0566 3 S 4.2796 9.2443 124.9875 60.5316 63.8799 175.5145 4 G 4.5876 9.2884 116.1142 46.5539 0.0000 173.7829 5 S 3.7322 7.6533 114.4343 59.3248 60.4754 174.4664 6 S 4.3810 8.3301 116.1519 60.3674 64.6571 174.7067 7 G 3.8580 8.0014 111.6434 44.5787 0.0000 173.8640 8 K 3.7942 9.3984 119.6680 57.0336 30.0838 175.1090 9 K 4.1633 7.9943 116.6786 55.2255 32.8095 175.7737 10 P 4.4337 0.0000 0.0000 62.7300 32.3069 175.7232 11 L 4.7368 8.3563 118.6907 53.3175 42.7121 175.9034 12 V 4.9968 8.1616 123.1077 59.5242 34.5915 175.1696 13 C 4.4069 9.0886 124.0401 59.4144 31.8413 173.9070 14 N 4.6338 9.0125 123.8720 54.8733 38.5388 176.0868 15 E 4.2414 8.1568 118.1209 58.0028 30.2894 176.7385 16 C 4.5683 8.2661 110.8590 58.1949 31.6805 174.5559 17 G 4.0423 8.7052 108.4213 45.3405 0.0000 173.0780 18 K 4.4960 8.1519 120.8462 54.3236 34.2087 175.3932 19 T 4.7250 8.2855 118.0257 61.6549 69.9344 173.6125 20 F 4.8170 9.2697 121.7280 56.3359 42.8492 175.2681 21 R 4.2728 8.9073 117.9385 58.3583 30.6114 177.5734 22 Q 4.5428 7.7391 115.9220 54.6739 30.5937 176.9453 23 S 4.0225 8.4762 114.5372 61.7053 63.3645 176.5502 24 S 4.0863 7.9761 116.3139 61.3345 62.2370 175.1074 25 C 4.0290 8.0532 119.3129 62.2592 27.8354 175.1155 26 L 2.0000 7.1483 120.9645 58.0455 41.6045 179.1408 27 S 3.9574 7.5469 112.1399 61.6321 62.1463 176.3554 28 K 3.9065 8.1511 120.0302 59.0668 32.0462 177.8474 29 H 4.5156 7.6633 117.9462 58.2019 30.2528 176.7967 30 Q 4.0486 8.3037 120.6554 58.8591 28.3161 178.8059 31 R 4.3777 7.8207 117.5692 58.4020 29.1197 178.4934 32 I 3.7483 7.4579 113.3489 63.8432 37.5316 177.4549 33 H 4.6002 8.2893 117.0977 56.4910 29.4061 175.5038 34 S 4.6872 7.5410 116.3637 56.5623 64.1871 173.8709 35 G 4.2223 8.2094 120.3227 44.8114 0.0000 176.4571 36 E 4.1999 8.8445 126.0871 55.3534 29.9072 176.1722 37 K 4.1467 8.1931 119.3772 55.6121 32.5124 176.4561 38 P 4.4334 0.0000 0.0000 62.9591 29.8173 176.4408 39 S 4.2979 8.7070 119.9992 59.8266 64.1145 174.7877 40 G 4.1946 7.0776 111.0896 45.7990 0.0000 172.8604 41 P 4.5376 0.0000 0.0000 63.6430 31.0471 177.4515 42 S 4.2168 7.5884 116.2483 61.9590 63.0878 175.7233 43 S 4.2493 7.9964 113.8414 60.3611 62.7195 174.1715 44 G 3.7382 7.7366 112.2281 45.6272 0.0000 172.0768 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 3.85 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 2 S 7.83 3.92 0.00 3.92 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 3 S 9.24 4.28 0.00 3.90 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 4 G 9.29 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 3.73 0.00 4.00 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 6 S 8.33 4.38 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 7 G 8.00 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 8 K 9.40 3.79 0.00 1.90 1.92 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.45 7.81 9 K 7.99 4.16 0.00 1.77 1.74 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 10 P 0.00 4.43 0.00 2.20 2.08 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 11 L 8.36 4.74 0.00 1.71 1.70 0.99 0.72 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 12 V 8.16 5.00 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 0.83 0.00 0.00 0.99 0.00 0.00 13 C 9.09 4.41 0.00 3.30 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 14 N 9.01 4.63 0.00 2.77 2.86 0.00 0.00 7.33 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 15 E 8.16 4.24 0.00 1.63 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 2.26 2.24 0.00 16 C 8.27 4.57 0.00 3.09 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 17 G 8.71 4.04 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 0.00 0.00 0.00 18 K 8.15 4.50 0.00 1.82 1.64 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.82 1.20 7.81 19 T 8.29 4.73 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 1.19 0.00 0.00 20 F 9.27 4.82 0.00 2.78 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 21 R 8.91 4.27 0.00 1.84 2.00 0.00 3.37 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 22 Q 7.74 4.54 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 23 S 8.48 4.02 0.00 4.03 4.11 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 0.00 0.00 0.00 0.00 24 S 7.98 4.09 0.00 3.89 3.88 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 25 C 8.05 4.03 0.00 3.20 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 26 L 7.15 2.00 0.00 1.36 1.44 0.90 0.85 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 27 S 7.55 3.96 0.00 3.82 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 28 K 8.15 3.91 0.00 1.93 1.84 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.54 7.81 29 H 7.66 4.52 0.00 3.23 3.03 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.30 4.05 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.50 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 31 R 7.82 4.38 0.00 1.89 2.06 0.00 3.04 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 32 I 7.46 3.75 1.71 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 -0.09 0.79 0.00 0.00 33 H 8.29 4.60 0.00 3.10 3.37 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.54 4.69 0.00 3.86 3.73 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 35 G 8.21 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 36 E 8.84 4.20 0.00 1.96 1.92 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 2.31 2.27 0.00 37 K 8.19 4.15 0.00 1.74 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.42 7.81 38 P 0.00 4.43 0.00 2.17 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 39 S 8.71 4.30 0.00 3.85 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 40 G 7.08 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.54 0.00 2.19 2.17 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 42 S 7.59 4.22 0.00 3.84 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 43 S 8.00 4.25 0.00 3.83 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 44 G 7.74 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 0.00 0.00 0.00