NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7664 8.4549 115.5907 54.9282 39.5203 173.2138 2 I 3.9469 8.1179 121.7172 59.2101 38.0298 173.4345 3 P 4.8450 0.0000 0.0000 61.5829 33.8641 175.1032 4 S 4.2532 8.4521 115.3205 59.8749 62.7753 173.6512 5 G 4.0889 8.8843 115.3792 45.5162 0.0000 173.9847 6 Q 4.5835 7.7382 118.4144 54.1646 30.7924 173.5316 7 P 5.6148 0.0000 0.0000 62.0741 32.5490 174.1547 8 C 5.1465 8.4573 115.4221 53.3946 44.7168 172.3044 9 P 4.1838 0.0000 0.0000 65.1475 31.5185 175.4830 10 Y 4.7037 7.3319 113.2896 55.5753 42.5568 175.2515 11 N 4.7577 8.7217 119.4334 51.7678 37.0975 173.9778 12 E 5.0108 7.4617 112.5760 55.4714 31.4733 175.8391 13 N 5.0445 8.3656 112.0124 52.8110 40.2798 174.9200 14 C 5.2672 8.0347 114.1551 54.9651 44.2023 176.0825 15 C 4.2556 9.2859 119.6961 60.1012 39.7290 175.6781 16 S 4.0701 7.9920 111.2071 58.0902 63.2905 173.8596 17 Q 3.4697 7.7090 120.9333 57.0719 27.8391 173.2566 18 S 4.5825 7.6816 111.6142 55.8477 62.6332 171.1528 19 C 5.0033 9.2279 124.3330 56.1490 34.6194 173.8342 20 T 4.5533 9.0667 122.2149 62.6579 70.8327 174.7173 21 G 3.9541 9.4012 114.6175 46.6973 0.0000 174.0821 22 G 3.9116 8.4828 105.5079 45.2844 0.0000 173.6849 23 R 5.0540 7.5296 114.5579 54.0920 33.4127 173.9017 24 C 4.7946 9.4820 118.9414 57.3297 41.5034 173.6941 25 D 4.6331 9.0626 122.5216 54.4183 40.4411 176.1408 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 8.45 4.77 0.00 2.97 3.17 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 0.00 0.00 0.00 0.00 2 I 8.12 3.95 1.99 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 1.40 0.68 0.91 0.00 0.00 3 P 0.00 4.85 0.00 2.11 2.17 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 2.05 1.96 0.00 4 S 8.45 4.25 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.88 4.09 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 0.00 0.00 0.00 6 Q 7.74 4.58 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 7 P 0.00 5.61 0.00 2.05 2.02 0.00 3.30 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 8 C 8.46 5.15 0.00 2.93 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 9 P 0.00 4.18 0.00 2.24 2.18 0.00 3.73 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 2.05 2.01 0.00 10 Y 7.33 4.70 0.00 2.99 2.86 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 11 N 8.72 4.76 0.00 2.75 2.81 0.00 0.00 6.77 7.67 0.00 0.00 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 E 7.46 5.01 0.00 1.94 1.87 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 2.09 2.22 0.00 13 N 8.37 5.04 0.00 2.71 2.76 0.00 0.00 6.96 7.70 0.00 0.00 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 C 8.03 5.27 0.00 3.01 2.94 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 0.00 0.00 0.00 15 C 9.29 4.26 0.00 2.91 3.15 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 0.00 16 S 7.99 4.07 0.00 3.98 3.98 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 17 Q 7.71 3.47 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 18 S 7.68 4.58 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 9.23 5.00 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.07 4.55 4.50 0.00 0.00 0.00 0.00 0.00 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 21 G 9.40 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.48 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 0.00 0.00 0.00 23 R 7.53 5.05 0.00 1.91 1.96 0.00 2.77 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 24 C 9.48 4.79 0.00 3.04 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 25 D 9.06 4.63 0.00 2.64 2.53 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