NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.2829 8.3449 118.8243 56.2913 29.8514 173.3770 7 M 4.6413 8.0471 117.4412 53.0626 35.3878 172.9699 8 D 4.6553 8.2850 117.3174 53.8593 44.9507 173.6219 9 I 4.6132 7.8740 121.9498 60.1633 41.0193 174.0390 10 T 4.4532 8.0121 118.9461 60.6175 70.0888 172.8020 11 D 4.4433 8.6664 128.5100 54.6051 40.4304 176.3081 12 I 3.8709 8.2588 126.4817 64.0201 37.9619 176.9878 13 N 4.9152 7.7570 116.8423 51.4323 39.0726 173.5058 14 A 4.1808 7.8669 122.1401 51.7491 19.5654 176.1597 15 P 4.4589 0.0000 0.0000 62.1835 32.1618 176.6721 16 K 4.1496 8.3359 119.9772 55.6508 32.6583 175.4265 17 P 4.4693 0.0000 0.0000 62.1642 32.1087 176.2693 18 K 4.1482 8.4185 120.0692 56.3665 33.4207 176.4137 19 K 4.3981 8.4809 120.6861 55.1996 33.7361 175.9728 20 K 4.4133 8.4025 123.3314 54.9688 34.0506 175.7241 21 Q 4.5594 8.0623 118.4517 54.5277 30.4223 176.5016 22 R 4.1131 8.3441 117.5394 56.7196 30.1447 176.8457 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 6 Q 8.34 4.28 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 7 M 8.05 4.64 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 8 D 8.29 4.66 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 4.61 1.87 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 1.30 0.84 0.91 0.00 0.00 10 T 8.01 4.45 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 11 D 8.67 4.44 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 3.87 1.87 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 1.30 0.74 0.91 0.00 0.00 13 N 7.76 4.92 0.00 2.62 2.67 0.00 0.00 6.89 7.96 0.00 0.00 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 A 7.87 4.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.19 2.06 0.00 3.77 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 16 K 8.34 4.15 0.00 1.77 1.78 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.37 7.81 17 P 0.00 4.47 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 18 K 8.42 4.15 0.00 1.89 1.85 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 19 K 8.48 4.40 0.00 1.82 1.83 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.47 7.81 20 K 8.40 4.41 0.00 1.76 1.79 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.38 7.81 21 Q 8.06 4.56 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.09 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 22 R 8.34 4.11 0.00 1.80 1.84 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00