NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8446 8.6904 117.5023 57.0843 41.6877 172.6456 2 A 4.2550 8.1949 123.0643 51.3649 18.8904 174.7282 3 E 4.6941 7.7511 119.7024 56.0077 34.8675 173.1473 4 S 4.9815 8.6314 118.3670 56.8257 64.8063 172.8301 5 C 5.3919 8.6601 117.5897 54.8920 42.2163 175.5728 6 V 3.5392 7.6728 121.1391 66.1526 31.1036 176.0240 7 Y 4.6068 7.9513 112.7419 57.4638 39.9309 175.4202 8 I 4.5268 7.5193 112.4234 58.7532 40.6838 172.6796 9 P 4.6506 0.0000 0.0000 62.3640 31.8608 176.9640 10 C 4.2836 8.6973 117.9134 58.3107 34.2940 172.4807 11 T 4.3735 8.8171 118.6050 65.1123 71.7424 176.8810 12 V 3.5923 9.2313 120.7619 66.4988 32.0423 178.8143 13 T 4.0294 8.3088 108.0017 63.9094 68.6412 175.9937 14 A 4.0821 7.7545 124.0998 55.2003 18.1609 179.5068 15 L 4.0500 7.7157 116.3201 57.3665 41.7670 178.8481 16 L 4.3336 7.7265 116.6727 54.9601 41.9209 177.3169 17 G 3.8793 7.8577 107.0667 45.7775 0.0000 172.6302 18 C 4.6902 8.4391 117.7288 56.5015 40.6825 173.2221 19 S 4.9148 8.8392 118.6095 56.4341 64.6858 172.1841 20 C 4.7675 8.7055 126.5702 56.5784 45.4596 172.8886 21 S 4.4784 9.1611 121.0034 58.0594 65.1270 173.2512 22 N 4.2208 9.5189 125.9936 54.9056 37.3762 174.2889 23 R 4.0396 8.3569 111.3127 56.1773 27.9288 175.8469 24 V 4.8460 7.6643 117.1473 60.1101 35.0836 173.7977 25 C 5.1540 9.1002 121.7534 57.2685 42.0120 172.7780 26 Y 4.8659 9.1737 120.8588 56.3067 42.1011 175.0763 27 N 5.1982 8.7738 117.9291 52.8990 40.8778 173.0612 28 G 4.4303 8.6513 113.9876 44.8160 0.0000 171.7456 29 I 4.5232 6.9257 111.5769 57.4952 40.7030 173.6588 30 P 2.9700 0.0000 0.0000 62.5331 31.0999 176.5488 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 C 8.69 4.84 0.00 3.08 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 2 A 8.19 4.26 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 3 E 7.75 4.69 0.00 2.00 1.82 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 2.31 2.30 0.00 4 S 8.63 4.98 0.00 4.01 3.90 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 5 C 8.66 5.39 0.00 3.20 3.39 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 6 V 7.67 3.54 2.34 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 1.00 0.00 0.00 1.09 0.00 0.00 7 Y 7.95 4.61 0.00 2.87 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 I 7.52 4.53 1.91 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 1.39 0.65 0.97 0.00 0.00 9 P 0.00 4.65 0.00 2.08 2.04 0.00 3.72 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 2.04 2.12 0.00 10 C 8.70 4.28 0.00 2.97 3.07 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 11 T 8.82 4.37 4.39 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 1.22 0.00 0.00 12 V 9.23 3.59 2.15 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 1.00 0.00 0.00 0.94 0.00 0.00 13 T 8.31 4.03 4.24 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 1.22 0.00 0.00 14 A 7.75 4.08 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 0.00 0.00 15 L 7.72 4.05 0.00 1.83 1.75 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.73 4.33 0.00 1.77 1.70 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.86 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 0.00 0.00 0.00 18 C 8.44 4.69 0.00 2.86 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 19 S 8.84 4.91 0.00 3.92 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 20 C 8.71 4.77 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.16 4.48 0.00 3.81 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.52 4.22 0.00 2.76 2.71 0.00 0.00 7.14 7.60 0.00 0.00 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 R 8.36 4.04 0.00 2.11 2.06 0.00 3.15 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 24 V 7.66 4.85 2.17 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 0.90 0.00 0.00 1.18 0.00 0.00 25 C 9.10 5.15 0.00 3.00 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 26 Y 9.17 4.87 0.00 2.82 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 27 N 8.77 5.20 0.00 2.65 2.66 0.00 0.00 7.25 7.72 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 28 G 8.65 4.43 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 0.00 0.00 0.00 29 I 6.93 4.52 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.88 0.00 0.00 30 P 0.00 2.97 0.00 1.96 1.53 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00