NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3254 8.1233 122.4639 52.4107 21.8699 175.6539 2 T 4.3955 8.5507 114.2061 62.6363 69.6068 173.7997 3 C 4.7486 9.3924 126.0390 55.8055 42.4343 172.5686 4 K 5.3069 8.5268 124.0038 54.6963 34.5201 174.9969 5 A 4.5886 8.9421 127.1796 50.6750 23.1214 175.4222 6 E 4.2631 8.7459 122.2705 56.1534 30.4956 177.4953 7 C 3.8443 8.6541 124.1504 56.7379 44.0203 172.6524 8 P 4.2358 0.0000 0.0000 65.7814 31.3440 177.3214 9 T 4.4709 7.6538 107.0938 60.7881 69.0275 174.9501 10 W 4.8694 7.9027 130.7441 57.1389 34.1782 174.8928 11 D 4.7419 7.8452 126.6704 52.5872 40.8154 172.5190 12 S 4.3604 6.6938 114.7880 57.1622 67.5443 174.3108 13 V 3.8162 8.0760 121.4302 62.7598 31.2143 175.6528 14 C 5.0129 9.2888 129.2053 56.0497 43.9217 171.9158 15 I 4.2909 8.6363 126.1601 62.7333 37.4611 175.5610 16 N 4.7724 7.8145 118.3805 52.1132 40.2905 175.4892 17 K 4.0703 8.6779 125.3124 59.3760 32.2780 178.7109 18 K 3.8037 8.1218 119.4246 59.3601 32.0348 176.3090 19 P 4.3741 0.0000 0.0000 65.9661 31.3031 179.0527 20 C 3.4161 7.4730 115.9457 59.4778 40.0017 175.6261 21 V 3.4749 7.8129 119.6495 65.8684 31.0076 177.8220 22 A 3.9532 8.3862 120.8262 55.3342 18.3018 178.7368 23 C 4.2821 8.2027 116.9559 60.1993 39.1251 175.2187 24 C 4.1072 8.5478 118.4960 59.6521 40.3924 176.0294 25 K 4.1028 8.6502 121.9748 59.4467 31.6363 179.1072 26 K 4.0836 8.0110 117.6362 59.7048 32.6239 178.3286 27 A 4.2473 7.7667 119.7644 52.1647 18.5635 176.8706 28 K 3.9212 8.1853 117.2188 57.5194 30.8784 175.6516 29 F 4.7455 8.5801 114.7155 55.0465 41.4255 176.1477 30 S 4.3470 8.7838 118.9635 61.3947 62.6838 173.5989 31 D 4.7472 8.5495 117.4554 53.0279 44.8861 173.9118 32 G 4.4946 8.6189 110.0762 44.5235 0.0000 171.9120 33 H 5.0400 9.0218 117.9988 53.3437 31.9882 172.1190 34 C 4.4998 8.7634 119.9290 57.0078 41.6510 173.6050 35 S 4.4298 9.0989 118.9343 58.0646 62.9127 174.7232 36 K 4.1816 8.5974 124.6283 58.2284 34.0992 178.5223 37 I 3.8285 8.0479 120.0136 62.5929 35.0024 176.8026 38 L 4.3513 9.2891 129.2830 55.3434 42.6143 175.6796 39 R 4.8435 7.7026 113.6375 56.3483 28.3957 176.2842 40 R 4.5911 7.2646 116.4857 56.2642 31.7303 175.6432 41 C 4.2641 8.1333 122.3664 55.8529 40.0823 172.1933 42 L 4.4197 8.3767 128.3167 54.0851 42.6152 175.4106 43 C 5.0888 8.5895 122.6520 55.5009 42.5044 172.9827 44 T 5.6198 9.2052 113.6461 60.1242 71.7267 173.0146 45 K 4.8175 8.9967 122.5585 55.7344 36.6181 174.3948 46 E 4.5633 8.5885 118.7427 56.3912 30.7035 175.7631 47 C 4.6839 8.4406 115.6849 56.4183 42.7738 173.4991 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 A 8.12 4.33 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.55 4.40 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 3 C 9.39 4.75 0.00 2.84 3.06 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 4 K 8.53 5.31 0.00 1.77 1.68 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.39 7.81 5 A 8.94 4.59 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.26 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 7 C 8.65 3.84 0.00 2.73 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 8 P 0.00 4.24 0.00 2.11 2.14 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 9 T 7.65 4.47 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 1.25 0.00 0.00 10 W 7.90 4.87 0.00 3.32 3.06 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 11 D 7.85 4.74 0.00 2.57 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.69 4.36 0.00 3.05 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.82 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 0.76 0.00 0.00 0.94 0.00 0.00 14 C 9.29 5.01 0.00 3.27 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 15 I 8.64 4.29 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.94 0.00 0.00 16 N 7.81 4.77 0.00 2.83 2.71 0.00 0.00 6.77 6.78 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 17 K 8.68 4.07 0.00 1.90 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.54 7.81 18 K 8.12 3.80 0.00 1.87 1.83 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.57 7.81 19 P 0.00 4.37 0.00 2.50 2.46 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 20 C 7.47 3.42 0.00 2.59 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 V 7.81 3.47 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 1.06 0.00 0.00 22 A 8.39 3.95 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.20 4.28 0.00 3.34 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 24 C 8.55 4.11 0.00 3.07 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 25 K 8.65 4.10 0.00 2.05 1.93 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.34 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 26 K 8.01 4.08 0.00 2.01 1.97 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.75 1.69 7.81 27 A 7.77 4.25 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.92 0.00 1.97 1.93 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.38 7.81 29 F 8.58 4.75 0.00 2.96 3.12 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 0.00 0.00 0.00 30 S 8.78 4.35 0.00 3.89 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 31 D 8.55 4.75 0.00 2.83 2.45 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 0.00 32 G 8.62 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.02 5.04 0.00 3.05 3.29 0.00 5.27 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.76 4.50 0.00 2.86 3.18 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 0.00 0.00 0.00 35 S 9.10 4.43 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.60 4.18 0.00 1.76 1.81 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.46 7.81 37 I 8.05 3.83 1.88 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 1.19 0.64 0.92 0.00 0.00 38 L 9.29 4.35 0.00 1.74 1.64 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.70 4.84 0.00 2.16 2.17 0.00 3.45 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 40 R 7.26 4.59 0.00 1.96 1.87 0.00 3.14 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 41 C 8.13 4.26 0.00 1.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 4.42 0.00 1.39 1.21 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.59 5.09 0.00 1.81 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 0.00 0.00 0.00 0.00 44 T 9.21 5.62 4.31 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 1.35 0.00 0.00 45 K 9.00 4.82 0.00 1.62 1.83 0.00 0.61 0.00 0.00 0.86 0.00 0.00 2.56 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.91 1.14 7.81 46 E 8.59 4.56 0.00 1.96 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 2.21 2.21 0.00 47 C 8.44 4.68 0.00 2.93 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