NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4778 8.3044 120.3275 55.2764 33.4786 173.7901 2 I 4.4337 7.9463 118.4803 57.9502 41.0729 172.6275 3 S 4.8381 8.1020 119.4304 55.6276 67.6063 173.9703 4 N 4.2716 8.7107 121.1649 56.1737 36.6609 176.7638 5 A 3.9684 8.0186 122.3248 55.0893 18.4075 179.6413 6 K 4.0325 8.0073 116.2374 59.2376 32.2044 179.5663 7 I 3.6443 7.9878 120.3286 64.2901 36.9646 178.1726 8 A 3.9526 8.1768 121.6923 55.1319 18.1089 179.4794 9 R 3.8115 7.9140 117.0821 59.6434 30.0956 178.7349 10 I 3.6295 7.9331 119.6830 64.6600 37.1618 178.2409 11 N 4.3960 8.2121 117.1665 56.0152 38.2711 177.1051 12 E 3.8497 8.4752 121.1890 59.3369 29.7623 178.9126 13 L 3.9474 8.1584 118.8911 57.6957 41.6688 179.2193 14 A 4.1171 8.7904 122.1181 54.5823 18.2445 179.5372 15 A 3.9501 7.9790 119.0651 55.2583 18.4298 179.9855 16 K 3.8857 8.1084 116.7820 59.4362 31.8507 179.5236 17 A 3.9593 8.0927 120.5845 55.2101 18.4689 179.6038 18 K 4.0136 8.2526 115.8920 59.3439 32.0925 179.1585 19 A 4.1903 7.9391 120.7072 54.8093 18.6730 178.3961 20 G 4.0057 8.2161 102.7878 45.7978 0.0000 174.5202 21 V 4.0706 7.6106 111.9985 61.1233 31.6786 175.3691 22 I 4.0124 7.4822 121.3670 60.4783 38.6063 176.2904 23 T 4.3637 8.1916 118.2048 60.8229 71.3455 175.4433 24 E 3.9550 8.6199 120.7743 59.5620 29.4008 179.3487 25 E 3.8971 8.0744 118.6832 59.3308 29.7908 178.4712 26 E 3.9427 7.8026 117.6293 59.3608 29.5534 179.4172 27 K 3.8839 8.4357 118.5934 59.4333 32.1406 179.0836 28 A 3.9794 8.1391 120.9476 55.2744 18.3015 179.3479 29 E 3.8669 8.1331 117.7649 59.2774 29.5288 178.3649 30 Q 3.9085 8.3946 120.0500 59.6075 29.0511 178.4946 31 Q 4.0746 8.1114 118.5903 58.9154 28.7180 179.2114 32 K 3.9099 7.8659 119.8168 59.6605 32.3152 178.8393 33 L 3.9941 8.3074 119.6403 57.9108 41.4134 179.7408 34 R 3.9149 8.2909 118.2131 59.3557 29.8832 179.1626 35 Q 4.0216 7.9299 117.4155 59.0606 28.5226 178.4732 36 E 4.0217 8.2268 118.7713 59.5695 29.4877 178.5692 37 Y 4.0960 7.9452 118.9530 60.3943 39.2909 177.1678 38 L 4.5773 8.3039 119.1583 55.4295 41.6782 175.6316 39 K 4.0864 7.4032 118.6296 58.4212 31.4574 176.8340 40 G 3.9406 8.7953 112.8944 44.9987 0.0000 171.8037 41 F 4.2270 7.9337 122.5965 57.9997 39.5628 174.6511 42 R 4.4037 7.5985 126.2619 54.2854 32.8139 177.1629 43 S 4.2561 7.9930 116.0057 57.5939 62.1838 175.1006 44 S 4.0750 8.2563 124.3572 61.6477 62.5171 176.2641 45 M 4.1329 8.0615 118.2021 57.2783 29.6079 177.2018 46 K 4.3919 7.4608 118.1696 54.6378 33.2717 176.0515 47 L 3.6319 7.6790 118.3301 56.4499 41.1790 173.6047 48 E 4.0985 7.5145 121.6418 55.9540 29.4925 176.2032 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 4.48 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 I 7.95 4.43 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 0.99 0.00 0.00 3 S 8.10 4.84 0.00 3.89 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.71 4.27 0.00 2.96 3.10 0.00 0.00 5.80 7.08 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 5 A 8.02 3.97 1.34 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 0.00 0.00 6 K 8.01 4.03 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 7 I 7.99 3.64 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.86 0.86 0.00 0.00 8 A 8.18 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 3.81 0.00 1.95 2.07 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 10 I 7.93 3.63 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.77 0.00 0.00 11 N 8.21 4.40 0.00 2.82 2.83 0.00 0.00 6.70 7.16 0.00 0.00 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 8.48 3.85 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 13 L 8.16 3.95 0.00 1.84 1.78 0.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.79 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.89 0.00 2.03 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.67 7.81 17 A 8.09 3.96 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 18 K 8.25 4.01 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 19 A 7.94 4.19 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.61 4.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.92 0.00 0.00 22 I 7.48 4.01 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.90 0.00 0.00 23 T 8.19 4.36 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 24 E 8.62 3.95 0.00 1.99 2.05 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 2.40 2.32 0.00 25 E 8.07 3.90 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 26 E 7.80 3.94 0.00 2.20 1.98 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 2.32 2.49 0.00 27 K 8.44 3.88 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 28 A 8.14 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.87 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 30 Q 8.39 3.91 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 31 Q 8.11 4.07 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 32 K 7.87 3.91 0.00 1.82 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 33 L 8.31 3.99 0.00 1.81 1.71 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.29 3.91 0.00 2.00 1.96 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.92 0.00 35 Q 7.93 4.02 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 36 E 8.23 4.02 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 37 Y 7.95 4.10 0.00 2.99 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 38 L 8.30 4.58 0.00 1.94 1.82 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.40 4.09 0.00 1.69 1.84 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.57 7.81 40 G 8.80 3.94 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 0.00 0.00 0.00 41 F 7.93 4.23 0.00 2.96 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.60 4.40 0.00 1.60 1.55 0.00 3.36 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 43 S 7.99 4.26 0.00 3.81 3.80 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 44 S 8.26 4.07 0.00 3.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.06 4.13 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 46 K 7.46 4.39 0.00 1.82 1.75 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.42 7.81 47 L 7.68 3.63 0.00 1.77 1.68 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.51 4.10 0.00 1.95 1.77 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 2.30 2.24 0.00