NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4637 8.3049 118.1948 54.4933 32.0389 174.4688 2 R 3.7651 8.0151 124.6945 58.7968 30.6990 175.1768 3 D 4.8004 8.7663 118.0854 52.7981 43.1545 175.3499 4 R 4.6219 8.3673 123.6763 56.0340 31.3275 177.5037 5 T 3.9009 7.8971 117.0557 67.0300 68.0481 175.8048 6 H 4.2546 8.0895 118.9296 59.2978 30.3489 176.9101 7 E 4.0933 8.1504 118.2970 58.7792 29.0443 177.4524 8 L 3.9645 8.6391 122.3858 53.5153 41.7814 181.7823 9 R 3.1823 6.7835 111.4082 55.4839 31.8409 177.4339 10 Q 4.5762 9.0802 122.3789 56.4546 29.7023 175.6942 11 G 3.7496 7.2565 105.5526 47.4012 0.0000 176.4977 12 D 4.6689 9.4047 120.4609 55.6394 41.9316 178.1940 13 N 4.1566 8.3060 117.2801 56.2681 38.8305 175.0987 14 I 4.3619 7.5609 108.6519 60.6837 39.1736 177.4423 15 S 4.1278 7.8915 117.0248 61.2473 63.5320 176.1037 16 D 4.4527 8.7342 121.2114 56.9999 41.0878 176.9975 17 D 4.6137 7.5970 117.1778 55.2910 40.6016 176.6529 18 E 4.6744 8.3025 110.3165 55.1969 36.0492 178.9531 19 D 4.7808 7.7392 121.3815 55.5943 41.6715 173.3380 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 4.46 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 R 8.02 3.77 0.00 1.90 2.08 0.00 3.18 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 3 D 8.77 4.80 0.00 2.62 2.56 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 4 R 8.37 4.62 0.00 1.88 1.88 0.00 3.20 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 5 T 7.90 3.90 4.26 0.00 0.00 0.00 0.00 0.00 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 6 H 8.09 4.25 0.00 3.09 3.35 0.00 5.93 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.15 4.09 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 8 L 8.64 3.96 0.00 1.88 1.67 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 R 6.78 3.18 0.00 1.97 1.50 0.00 3.33 0.00 0.00 3.16 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 10 Q 9.08 4.58 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 11 G 7.26 3.75 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 0.00 0.00 0.00 12 D 9.40 4.67 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 13 N 8.31 4.16 0.00 2.68 2.85 0.00 0.00 6.84 7.94 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 14 I 7.56 4.36 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.02 0.90 0.00 0.00 15 S 7.89 4.13 0.00 3.97 4.34 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 0.00 0.00 0.00 0.00 16 D 8.73 4.45 0.00 2.91 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.60 4.61 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 4.67 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 19 D 7.74 4.78 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00