NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1780 8.3149 120.1102 56.6757 33.1987 174.4847 2 T 4.1397 6.9877 114.5276 61.2341 73.0876 173.3355 3 Y 4.9542 8.1361 120.3725 56.3355 42.2436 174.2673 4 Q 4.8728 8.5732 121.8251 54.4094 33.1817 173.3362 5 C 4.8355 8.5028 123.8930 57.6873 32.8587 173.9513 6 Q 4.6359 8.2373 123.8655 56.3097 28.7611 175.2384 7 Y 4.6154 7.9769 114.6263 60.2942 41.2599 175.1929 8 C 5.0945 8.0334 115.4339 57.7114 31.0092 173.7411 9 E 5.1167 8.7079 112.4158 54.9203 30.1866 175.1384 10 Y 4.8442 7.9998 118.9412 55.9780 41.2205 174.4279 11 R 4.8818 7.4095 120.6889 54.4153 33.1631 174.1113 12 S 4.6964 8.7329 114.6188 57.1817 67.2453 174.6947 13 A 4.2009 8.7907 122.4406 52.6842 20.3717 176.5333 14 D 5.0437 7.8696 115.4336 52.5638 43.0566 176.1875 15 S 3.6918 8.6024 121.9051 61.5112 62.3029 175.9507 16 S 4.0537 8.1452 115.3884 61.3932 62.0385 175.6003 17 N 4.3300 8.4828 119.4786 56.5209 38.4089 176.6571 18 L 4.2202 7.5489 121.3850 58.3425 42.0985 178.5221 19 K 3.8580 8.3005 119.4836 60.1681 31.9746 178.3151 20 T 3.8270 8.1988 115.7270 67.1258 68.3788 175.4461 21 H 3.8364 8.4997 120.0898 59.8323 29.6908 176.9016 22 I 3.6450 8.0577 120.9824 64.3935 36.7852 178.4029 23 K 3.9497 8.1299 119.8200 58.9313 32.0863 177.9677 24 T 4.3071 7.9018 107.8115 61.9185 69.5473 175.8136 25 K 4.2378 7.7956 120.4061 57.0675 34.2132 175.4943 26 H 4.4870 7.8548 113.4256 55.5076 31.4411 174.8928 27 S 3.4827 8.1292 120.8090 62.3956 60.6291 174.8781 28 K 4.0524 7.7976 112.8320 57.7463 28.9086 174.1314 29 E 4.1123 8.7086 127.5737 57.7855 30.8929 176.7831 30 K 4.9206 7.2877 121.0993 56.5735 34.1626 174.2176 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 K 8.31 4.18 0.00 1.67 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 2 T 6.99 4.14 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 3 Y 8.14 4.95 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.57 4.87 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 5 C 8.50 4.84 0.00 3.31 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 6 Q 8.24 4.64 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 5.83 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 7 Y 7.98 4.62 0.00 2.70 2.60 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 0.00 0.00 0.00 0.00 8 C 8.03 5.09 0.00 3.16 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 9 E 8.71 5.12 0.00 1.94 1.94 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 2.38 2.22 0.00 10 Y 8.00 4.84 0.00 3.11 2.59 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 11 R 7.41 4.88 0.00 1.72 1.66 0.00 2.95 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.39 0.00 12 S 8.73 4.70 0.00 3.94 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 13 A 8.79 4.20 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 14 D 7.87 5.04 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 3.69 0.00 2.90 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.15 4.05 0.00 3.92 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 17 N 8.48 4.33 0.00 3.00 3.04 0.00 0.00 6.73 6.90 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 18 L 7.55 4.22 0.00 1.98 2.00 1.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.30 3.86 0.00 1.85 2.03 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.53 7.81 20 T 8.20 3.83 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 21 H 8.50 3.84 0.00 2.86 3.59 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.06 3.64 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.75 0.87 0.00 0.00 23 K 8.13 3.95 0.00 1.96 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.58 7.81 24 T 7.90 4.31 4.15 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 0.00 0.00 0.00 1.22 0.00 0.00 25 K 7.80 4.24 0.00 1.26 1.37 0.00 1.51 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.14 1.15 7.81 26 H 7.85 4.49 0.00 2.59 2.48 0.00 5.64 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 27 S 8.13 3.48 0.00 3.94 3.72 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 0.00 0.00 0.00 0.00 28 K 7.80 4.05 0.00 1.83 2.17 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.54 7.81 29 E 8.71 4.11 0.00 1.88 1.95 0.00 0.00 0.00 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 2.28 0.00 30 K 7.29 4.92 0.00 1.89 2.06 0.00 1.48 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.49 7.81