NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3580 8.3044 120.3487 55.5732 33.3977 173.8920 2 D 4.8218 8.1320 120.7747 49.5852 44.1858 173.4091 3 P 4.1491 0.0000 0.0000 64.0008 31.2022 176.7666 4 N 4.1133 8.8591 114.3054 56.4599 39.7193 174.4026 5 C 4.4044 7.7892 117.9418 59.1592 32.4734 173.7562 6 S 4.7937 8.2996 122.2806 58.0414 63.1470 173.7500 7 C 4.3104 8.0942 117.5252 59.9431 29.0133 174.1230 8 A 4.3245 8.3248 126.5600 52.5330 18.9865 177.1993 9 T 4.5609 8.1953 112.9339 63.5391 69.3183 175.4824 10 D 4.3749 7.9762 122.4803 54.8067 39.8824 177.3999 11 G 4.0471 8.3779 105.6374 45.3848 0.0000 173.7243 12 S 4.5414 8.8107 115.0822 58.6966 63.1311 175.1333 13 C 4.1715 8.2123 116.6573 61.3195 29.6214 175.3532 14 S 3.7299 8.0713 114.3395 58.6571 60.4458 172.9714 15 C 4.2728 7.7257 115.5635 58.7443 30.4788 172.0531 16 A 3.8251 8.9256 121.2250 53.6550 17.6019 179.0567 17 G 3.9986 8.6046 106.7673 45.1519 0.0000 174.1940 18 S 5.9587 6.5270 126.9887 59.0898 66.2368 176.2165 19 C 4.5239 7.7445 119.4148 58.0905 32.7137 172.4309 20 K 4.5134 8.3780 125.5717 56.1386 32.3460 175.4816 21 C 4.3483 7.8355 115.2589 59.7632 28.7340 173.8428 22 K 4.0990 8.8216 124.7334 59.1407 32.5123 177.8547 23 Q 4.6345 7.6707 113.5084 54.6715 27.8272 174.4572 24 C 4.4912 7.5521 120.5216 59.4388 33.7512 173.2495 25 K 4.8738 8.0927 123.5732 55.7291 33.3537 176.6419 26 C 4.4328 7.6889 119.0076 59.5029 27.7092 172.9092 27 T 3.4766 7.2594 116.1845 64.8934 66.7642 174.6203 28 S 4.0470 7.2088 120.8760 61.9779 64.3205 175.2844 29 C 4.4816 7.6959 124.5877 59.1442 30.0080 173.8829 30 K 4.6283 7.4842 124.1607 55.4672 32.0763 175.2813 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 M 8.30 4.36 0.00 1.99 2.04 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 2.54 0.00 2 D 8.13 4.82 0.00 2.71 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 2.22 1.91 0.00 3.86 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 4 N 8.86 4.11 0.00 2.73 3.01 0.00 0.00 6.80 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 5 C 7.79 4.40 0.00 3.00 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 6 S 8.30 4.79 0.00 3.96 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 7 C 8.09 4.31 0.00 2.98 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 8 A 8.32 4.32 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.56 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 1.21 0.00 0.00 10 D 7.98 4.37 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 4.05 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 0.00 0.00 0.00 12 S 8.81 4.54 0.00 3.82 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 13 C 8.21 4.17 0.00 3.08 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 14 S 8.07 3.73 0.00 3.95 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 15 C 7.73 4.27 0.00 3.07 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 16 A 8.93 3.83 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.53 5.96 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 19 C 7.74 4.52 0.00 3.06 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 4.51 0.00 1.70 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.47 7.81 21 C 7.84 4.35 0.00 3.00 2.85 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 22 K 8.82 4.10 0.00 1.91 1.86 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.42 7.81 23 Q 7.67 4.63 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 24 C 7.55 4.49 0.00 2.97 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 25 K 8.09 4.87 0.00 1.73 1.68 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.46 7.81 26 C 7.69 4.43 0.00 2.95 2.91 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 27 T 7.26 3.48 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 1.21 0.00 0.00 28 S 7.21 4.05 0.00 3.86 3.78 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 0.00 0.00 0.00 0.00 29 C 7.70 4.48 0.00 2.93 2.87 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 30 K 7.48 4.63 0.00 1.68 1.78 0.00 1.68 0.00 0.00 0.92 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.34 7.81