NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0068 8.2127 109.7467 45.0694 0.0000 174.0165 2 I 3.2061 7.9969 119.1149 62.4020 37.4357 172.5575 3 V 3.4923 8.3353 119.9445 66.0658 31.7033 177.2638 4 E 3.9720 8.0258 116.4912 59.5154 29.4352 178.7122 5 Q 4.1888 8.1300 118.5937 58.3684 29.3020 175.7816 6 C 5.1670 8.1670 112.9013 55.7360 41.9039 174.1406 7 C 4.2248 8.1294 116.8372 60.1739 28.5159 174.4455 8 T 4.3849 7.8386 108.6754 62.2319 69.4279 174.6401 9 S 4.6628 7.4545 114.6309 56.1726 66.1097 172.9364 10 I 4.1282 8.2236 122.6840 61.4698 37.2639 176.4443 11 C 4.8963 8.5818 123.5348 55.6409 41.2508 174.4689 12 S 4.4418 9.1687 119.9400 57.9263 64.7925 175.4641 13 L 3.9038 8.2330 122.0113 58.2163 41.0241 179.4657 14 Y 4.3253 7.4430 115.3166 61.1751 38.2004 178.0614 15 Q 4.2105 8.3464 118.9687 59.1114 28.8012 178.9778 16 L 4.3533 8.3967 119.9971 57.4683 41.6146 178.9762 17 E 3.9925 8.1838 119.2463 58.8244 29.2741 178.2096 18 N 4.3289 7.8114 115.0628 55.3958 38.2255 174.9927 19 Y 4.5762 7.7979 117.2394 57.7397 38.5941 175.5384 20 C 4.3787 7.7039 118.2040 59.2865 28.9483 173.5305 21 N 4.5440 8.5784 117.8448 53.8043 38.1323 175.3281 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 G 8.21 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 2 I 8.00 3.21 0.57 0.00 0.00 0.38 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 1.63 0.65 0.00 0.00 3 V 8.34 3.49 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 0.87 0.00 0.00 4 E 8.03 3.97 0.00 2.12 2.01 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 2.32 2.43 0.00 5 Q 8.13 4.19 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 6 C 8.17 5.17 0.00 3.04 3.04 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 0.00 0.00 0.00 0.00 7 C 8.13 4.22 0.00 3.12 2.95 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 8 T 7.84 4.38 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 9 S 7.45 4.66 0.00 3.97 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 10 I 8.22 4.13 1.88 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 1.41 0.54 0.91 0.00 0.00 11 C 8.58 4.90 0.00 2.99 3.07 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 0.00 0.00 0.00 12 S 9.17 4.44 0.00 4.01 4.04 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 0.00 0.00 0.00 0.00 13 L 8.23 3.90 0.00 1.34 1.58 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.44 4.33 0.00 2.99 2.94 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 15 Q 8.35 4.21 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 16 L 8.40 4.35 0.00 1.87 1.82 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.18 3.99 0.00 2.29 2.11 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 2.34 2.40 0.00 18 N 7.81 4.33 0.00 2.36 2.41 0.00 0.00 6.91 8.07 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 19 Y 7.80 4.58 0.00 3.12 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 20 C 7.70 4.38 0.00 3.05 2.88 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 21 N 8.58 4.54 0.00 2.73 2.74 0.00 0.00 6.80 7.56 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