NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3635 8.3044 120.3500 55.1728 33.3224 178.1577 2 K 3.9688 8.8465 117.4865 55.0479 32.3960 174.7484 3 R 4.2716 8.6005 125.6435 56.4048 32.3572 176.7054 4 T 4.3550 7.9004 114.0824 58.7315 65.5159 174.0490 5 F 5.3650 7.1305 124.6693 58.2132 40.9450 171.4530 6 Q 4.2022 8.2146 124.4438 52.4058 28.5802 173.7161 7 P 3.9611 0.0000 0.0000 63.4056 31.5738 177.2683 8 S 4.4366 8.4006 115.2378 55.6981 63.3707 174.3032 9 V 3.5929 8.4246 127.5026 64.9616 30.9488 177.4677 10 L 3.9090 7.9858 120.1365 57.7725 41.6003 178.5018 11 K 3.8422 8.1770 117.4153 60.1068 32.0990 178.8750 12 R 3.9489 8.0207 118.0712 59.9204 30.1173 177.9117 13 N 4.4450 8.2243 115.6741 56.1174 38.3901 176.8438 14 R 4.3812 7.7411 114.8626 56.6277 30.1295 177.2376 15 S 4.5076 7.8863 114.7344 60.1659 66.0039 174.7487 16 H 4.9110 8.8496 114.6003 55.2322 30.2894 173.6686 17 G 4.4504 7.9252 108.1665 44.0199 0.0000 174.2326 18 F 4.2579 8.7129 121.2711 61.7342 39.1625 177.3215 19 R 3.9859 8.2820 116.9348 59.5300 30.5038 178.0925 20 A 4.1091 8.0634 119.4271 55.1498 19.2628 178.2422 21 R 4.4227 8.5493 117.0719 54.9985 27.1156 174.9659 22 M 4.4425 7.1445 118.8190 56.4798 39.9140 177.1646 23 A 4.2079 7.8899 120.1682 53.5353 18.7014 176.8258 24 T 4.6739 7.2043 104.5685 58.7346 72.0062 175.1413 25 K 3.9339 8.4663 122.3124 59.9892 32.1288 178.7199 26 N 4.5914 8.0722 114.7474 55.1809 38.6888 177.3152 27 G 3.6903 8.4768 108.3762 47.9912 0.0000 176.0206 28 R 4.0024 7.6769 120.9105 58.1126 29.9844 178.0801 29 Q 4.2140 7.8455 116.9156 57.1058 29.1060 176.9022 30 V 4.0454 7.2455 118.3596 65.8308 32.0136 177.3741 31 L 3.9629 7.8267 117.8703 58.0028 41.5471 179.3604 32 A 3.9967 8.2017 120.4251 55.0885 17.7871 179.6023 33 R 3.9262 8.2311 117.5289 59.1246 29.9673 178.6655 34 R 4.1094 7.7281 117.3905 58.5682 30.4057 178.7539 35 R 3.9209 9.1684 118.5679 59.0762 29.8534 178.7789 36 A 3.9844 7.8199 119.2606 55.1870 18.5998 179.4094 37 K 4.1098 7.6810 114.8838 56.4340 33.5638 176.4713 38 G 3.8798 7.8337 107.4969 46.8078 0.0000 172.7093 39 R 4.4184 8.0043 120.4912 55.1756 32.1142 176.4182 40 A 3.9904 8.5884 126.7343 55.1632 18.6554 178.8472 41 R 4.3088 7.6423 119.5084 54.6105 29.4626 176.3572 42 L 4.0886 8.5343 125.1976 57.2508 42.1418 178.3585 43 T 4.1639 7.9914 108.0480 62.0259 69.4385 172.8168 44 V 3.1912 8.4678 130.4889 63.5957 28.9938 172.6898 45 S 3.7670 6.9346 113.7865 60.9583 63.7731 175.4089 46 K 4.0204 7.6321 127.2789 56.1739 31.7940 175.2285 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 4.36 0.00 2.00 1.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.85 3.97 0.00 1.84 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.53 7.81 3 R 8.60 4.27 0.00 1.88 1.95 0.00 3.43 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.90 4.36 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 5 F 7.13 5.36 0.00 2.92 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 6 Q 8.21 4.20 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 7 P 0.00 3.96 0.00 1.99 1.63 0.00 3.44 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 8 S 8.40 4.44 0.00 3.80 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 3.59 2.08 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 0.75 0.00 0.00 0.94 0.00 0.00 10 L 7.99 3.91 0.00 1.74 1.68 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.18 3.84 0.00 1.88 1.90 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.54 7.81 12 R 8.02 3.95 0.00 1.95 2.15 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 13 N 8.22 4.44 0.00 2.97 2.89 0.00 0.00 6.90 8.54 0.00 0.00 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 R 7.74 4.38 0.00 1.99 2.03 0.00 3.02 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 15 S 7.89 4.51 0.00 4.05 3.74 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 16 H 8.85 4.91 0.00 3.03 3.26 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 4.26 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.28 3.99 0.00 1.89 2.04 0.00 3.36 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 20 A 8.06 4.11 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 21 R 8.55 4.42 0.00 1.69 1.85 0.00 3.30 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 22 M 7.14 4.44 0.00 1.81 1.90 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 23 A 7.89 4.21 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 24 T 7.20 4.67 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 25 K 8.47 3.93 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.57 7.81 26 N 8.07 4.59 0.00 2.69 2.85 0.00 0.00 6.85 7.65 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 27 G 8.48 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.00 0.00 1.78 1.93 0.00 3.08 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 29 Q 7.85 4.21 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 30 V 7.25 4.05 2.27 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 1.08 0.00 0.00 0.95 0.00 0.00 31 L 7.83 3.96 0.00 1.73 1.78 0.75 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.20 4.00 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 33 R 8.23 3.93 0.00 2.07 2.05 0.00 3.08 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 34 R 7.73 4.11 0.00 2.08 1.97 0.00 3.20 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 35 R 9.17 3.92 0.00 1.85 2.00 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 36 A 7.82 3.98 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 37 K 7.68 4.11 0.00 1.94 1.98 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 7.83 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 0.00 0.00 0.00 39 R 8.00 4.42 0.00 1.88 1.84 0.00 3.32 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 40 A 8.59 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 4.31 0.00 1.82 1.94 0.00 3.23 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 42 L 8.53 4.09 0.00 1.63 1.79 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.99 4.16 4.36 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 1.27 0.00 0.00 44 V 8.47 3.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 45 S 6.93 3.77 0.00 4.00 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 46 K 7.63 4.02 0.00 1.66 1.64 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.31 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.43 7.81