NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4842 8.1633 120.6078 55.3137 33.8292 174.1032 2 K 4.7566 8.4604 125.0724 54.1164 34.9821 171.7553 3 V 4.3241 9.0327 122.4007 61.8527 34.3641 172.3798 4 R 4.1122 8.2026 129.4051 53.8992 29.5017 176.1762 5 A 4.8852 8.2156 126.1164 53.0135 22.6387 177.5886 6 S 3.7373 8.9213 120.6864 58.2057 59.4558 171.4243 7 V 3.2149 9.0181 128.7706 63.2419 30.2415 171.8354 8 K 4.5992 7.9755 128.8251 57.3336 33.2907 177.3775 9 R 3.3798 8.2323 117.9155 59.6150 29.7616 175.2034 10 I 4.3004 7.8894 119.0157 63.2008 38.0629 173.5798 11 C 4.3202 7.2246 117.2675 56.1531 39.8087 174.5092 12 D 4.0946 7.7642 119.9037 56.8806 40.7549 175.9697 13 K 4.1720 7.8475 114.9358 57.9393 32.8409 177.7421 14 C 3.7082 7.7371 115.5617 55.2548 40.1692 173.6442 15 K 4.5559 8.9549 125.6113 55.5152 33.4952 176.5152 16 V 4.4337 8.3905 124.4361 60.5089 32.6598 174.9131 17 I 4.5516 8.2866 127.3021 59.1857 39.4631 175.8242 18 R 4.5666 8.6998 126.4517 56.3084 31.1614 177.0734 19 R 4.2091 9.2353 117.9910 56.6840 30.9485 174.7202 20 H 4.0248 9.6387 123.1479 56.8199 26.2089 176.4551 21 G 3.9528 8.3087 104.9711 45.7288 0.0000 173.9318 22 R 4.4664 7.9347 120.1852 54.6501 31.6209 175.7969 23 V 4.1451 8.4473 122.7578 62.4339 32.3834 173.9908 24 Y 4.6517 8.9855 126.6042 56.0448 40.8968 175.1105 25 V 4.5418 8.7542 125.8631 61.8924 33.4451 174.7247 26 I 4.9778 8.7938 128.1705 59.7153 40.3976 174.1332 27 C 5.1768 8.5880 125.1161 57.6001 35.1817 173.1144 28 E 4.3436 8.8216 118.9217 56.1092 29.2446 175.7273 29 N 4.9033 7.8301 118.4776 50.7929 40.5353 171.9556 30 P 4.3296 0.0000 0.0000 66.1068 31.1126 178.2504 31 K 3.7397 7.4922 113.8028 57.9085 32.1484 176.7214 32 H 4.8329 8.4858 113.0219 55.1039 31.4836 172.5137 33 K 4.0565 7.6560 121.1779 55.6999 30.9888 174.5097 34 Q 4.2446 8.8187 121.7953 54.5363 29.0769 173.3258 35 R 3.0000 8.6182 123.5406 53.1939 31.8431 177.0217 36 Q 4.7061 7.7372 126.1047 54.2496 27.9902 175.4288 37 G 3.8863 8.5911 112.6735 47.2981 0.0000 173.0194 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 8.16 4.48 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 2 K 8.46 4.76 0.00 1.80 1.64 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.50 7.81 3 V 9.03 4.32 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.90 0.00 0.00 4 R 8.20 4.11 0.00 1.84 1.94 0.00 3.43 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 5 A 8.22 4.89 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 6 S 8.92 3.74 0.00 4.04 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 7 V 9.02 3.21 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 1.09 0.00 0.00 0.91 0.00 0.00 8 K 7.98 4.60 0.00 1.69 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.48 7.81 9 R 8.23 3.38 0.00 1.86 1.95 0.00 3.21 0.00 0.00 3.71 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 10 I 7.89 4.30 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.17 0.91 0.00 0.00 11 C 7.22 4.32 0.00 2.74 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.09 0.00 2.76 2.75 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 13 K 7.85 4.17 0.00 1.72 1.85 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 14 C 7.74 3.71 0.00 2.97 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 15 K 8.95 4.56 0.00 2.06 1.73 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.38 7.81 16 V 8.39 4.43 2.09 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 0.73 0.00 0.00 0.95 0.00 0.00 17 I 8.29 4.55 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.02 0.96 0.00 0.00 18 R 8.70 4.57 0.00 1.71 1.88 0.00 3.25 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 19 R 9.24 4.21 0.00 2.08 2.08 0.00 2.21 0.00 0.00 2.80 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 20 H 9.64 4.02 0.00 3.15 3.36 0.00 5.97 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 21 G 8.31 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 R 7.93 4.47 0.00 1.66 1.80 0.00 2.67 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 23 V 8.45 4.15 2.12 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 1.01 0.00 0.00 0.98 0.00 0.00 24 Y 8.99 4.65 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 25 V 8.75 4.54 2.04 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 0.99 0.00 0.00 0.97 0.00 0.00 26 I 8.79 4.98 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.94 0.00 0.00 27 C 8.59 5.18 0.00 2.96 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 28 E 8.82 4.34 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 29 N 7.83 4.90 0.00 2.72 2.89 0.00 0.00 7.08 7.69 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 30 P 0.00 4.33 0.00 2.24 2.32 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 31 K 7.49 3.74 0.00 2.00 1.64 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.53 7.81 32 H 8.49 4.83 0.00 3.01 3.25 0.00 5.89 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.66 4.06 0.00 1.80 1.79 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.74 1.46 7.81 34 Q 8.82 4.24 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 35 R 8.62 3.00 0.00 1.45 0.88 0.00 3.11 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.59 0.00 36 Q 7.74 4.71 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 37 G 8.59 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00