NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.4055 8.3049 120.3486 55.5016 32.4110 173.6220 5002 E 4.3471 8.0207 121.7317 51.3374 31.3951 173.7422 5003 P 4.2505 0.0000 0.0000 63.0098 32.5610 174.1027 5004 N 4.9577 8.3547 116.4772 51.2171 40.7791 172.5969 5005 P 4.4828 0.0000 0.0000 65.3544 32.2081 178.2203 5006 N 4.5314 7.9911 111.8235 53.9821 38.2221 176.1980 5007 R 4.5317 8.3310 118.5204 54.7927 29.2751 175.1505 5008 Q 4.2299 7.6202 117.0642 55.1144 29.8361 174.9920 5009 P 4.4591 0.0000 0.0000 62.1368 32.1530 176.2342 5010 V 3.8712 8.1834 120.7881 60.9924 32.1110 175.2399 5011 E 4.3271 8.5284 123.4035 54.9973 30.6778 175.5525 5012 L 4.1705 8.1101 120.5395 54.3639 45.1187 173.0627 5013 N 4.8992 8.2525 123.6248 50.9638 39.1838 175.8786 5014 R 4.0900 8.5781 119.8445 58.7795 30.4062 177.0041 5015 T 4.4344 7.9919 112.1653 64.4930 71.2555 176.1146 5016 S 4.1204 10.7700 115.8852 61.1357 62.2198 176.0898 5017 L 4.0168 8.0572 122.6552 59.1729 40.1221 178.9479 5018 Y 3.7823 8.1717 117.1633 60.7061 37.9816 178.3592 5019 L 4.1798 8.4520 120.3147 57.7570 41.7283 179.8434 5020 G 3.6093 8.4511 106.0293 47.6128 0.0000 175.6154 5021 L 3.9126 8.6372 123.8628 58.1543 42.1127 178.1079 5022 L 3.8838 8.4539 120.7007 57.7941 41.7587 178.4358 5023 L 3.8532 8.1053 119.5540 58.3583 41.9730 179.5349 5024 I 3.7424 7.7969 118.3313 63.7184 38.0716 177.6081 5025 L 3.9238 8.0837 121.6206 58.1593 42.0010 179.2995 5026 V 3.6312 7.7629 119.2151 64.6353 31.4156 177.6515 5027 L 3.8989 7.6889 120.9654 58.0326 41.6765 178.9567 5028 A 4.0578 7.7988 120.0769 55.3689 18.1789 178.7740 5029 L 3.8564 7.5272 117.0412 59.1991 42.3591 178.4958 5030 L 3.7876 8.4783 117.5605 58.9606 41.6422 178.0406 5031 F 4.1263 8.0111 122.1554 59.5019 40.0631 177.0902 5032 S 4.7294 8.5152 115.3534 61.4840 63.2065 176.5007 5033 S 4.1158 7.6507 117.5779 61.5015 62.6276 175.7682 5034 Y 4.1634 7.5782 114.0555 59.2752 37.6914 176.1978 5035 F 4.6259 8.0715 118.8380 59.3320 40.1659 177.5680 5036 F 4.6380 8.2269 117.1479 58.5842 39.0246 174.8277 5037 N 4.4842 8.4358 123.4844 54.0289 40.2852 173.3536 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 5001 M 8.30 4.41 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 5002 E 8.02 4.35 0.00 2.07 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 2.25 2.30 0.00 5003 P 0.00 4.25 0.00 2.17 2.11 0.00 3.73 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 2.00 1.99 0.00 5004 N 8.35 4.96 0.00 2.68 2.72 0.00 0.00 6.97 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5005 P 0.00 4.48 0.00 2.25 2.27 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 5006 N 7.99 4.53 0.00 2.72 2.88 0.00 0.00 6.91 7.42 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 5007 R 8.33 4.53 0.00 1.79 1.87 0.00 3.33 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 5008 Q 7.62 4.23 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 5009 P 0.00 4.46 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.71 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 5010 V 8.18 3.87 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 0.77 0.00 0.00 0.93 0.00 0.00 5011 E 8.53 4.33 0.00 2.09 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 2.23 2.23 0.00 5012 L 8.11 4.17 0.00 1.57 1.54 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 5013 N 8.25 4.90 0.00 2.98 2.91 0.00 0.00 5.85 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 5014 R 8.58 4.09 0.00 1.78 1.97 0.00 3.11 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 5015 T 7.99 4.43 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 1.19 0.00 0.00 5016 S 10.77 4.12 0.00 3.91 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5017 L 8.06 4.02 0.00 2.01 1.98 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 5018 Y 8.17 3.78 0.00 3.19 3.09 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 5019 L 8.45 4.18 0.00 1.71 1.75 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 5020 G 8.45 3.61 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 0.00 0.00 0.00 5021 L 8.64 3.91 0.00 1.73 1.51 0.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 5022 L 8.45 3.88 0.00 1.79 1.76 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5023 L 8.11 3.85 0.00 1.82 1.94 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5024 I 7.80 3.74 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.15 0.94 0.00 0.00 5025 L 8.08 3.92 0.00 1.80 1.62 0.89 1.23 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 5026 V 7.76 3.63 2.19 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 0.72 0.00 0.00 0.96 0.00 0.00 5027 L 7.69 3.90 0.00 2.04 1.87 0.72 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5028 A 7.80 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5029 L 7.53 3.86 0.00 1.70 1.91 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 5030 L 8.48 3.79 0.00 1.91 1.92 1.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 5031 F 8.01 4.13 0.00 3.38 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5032 S 8.52 4.73 0.00 4.01 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5033 S 7.65 4.12 0.00 3.49 3.68 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 0.00 0.00 0.00 0.00 5034 Y 7.58 4.16 0.00 2.50 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 5035 F 8.07 4.63 0.00 3.13 2.89 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 0.00 0.00 0.00 5036 F 8.23 4.64 0.00 3.18 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 5037 N 8.44 4.48 0.00 3.00 2.79 0.00 0.00 7.04 7.85 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