NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9449 8.2127 109.7395 45.2947 0.0000 174.1424 2 I 3.7077 7.9864 117.6024 61.3012 37.6586 172.2830 3 V 3.4532 8.2833 120.1803 66.6081 31.7629 177.0703 4 E 3.8924 7.9772 117.7676 59.3715 29.4685 178.5916 5 Q 3.9452 8.1923 119.7780 59.7392 28.8588 178.0842 6 C 4.2476 8.2461 116.0815 59.6392 40.1923 175.0515 7 C 4.2672 7.2210 119.4369 61.8328 31.6767 175.3299 8 T 4.1800 8.5559 111.0584 61.5624 68.9769 175.5723 9 S 4.6133 8.6805 111.2592 57.7062 62.7141 176.7863 10 I 4.6712 8.5758 105.6452 59.4308 40.2688 172.5944 11 C 5.1488 8.3705 115.1784 53.1888 40.0482 173.6778 12 S 4.9164 8.7036 115.2931 56.7763 66.1312 175.3084 13 L 4.0059 8.2697 122.0764 57.9442 41.0768 179.4222 14 Y 4.0657 7.8409 115.9055 61.0028 38.2751 177.7789 15 Q 4.2616 8.3549 119.1281 59.0575 28.8068 178.8096 16 L 4.1659 8.0024 119.7787 57.6918 41.7046 179.0526 17 E 4.0373 8.0739 118.5969 58.7196 29.3085 178.2081 18 N 4.4441 8.1099 115.2179 55.4070 38.6119 175.5491 19 Y 4.3237 7.8082 116.4914 57.0420 38.8536 175.6819 20 C 4.4092 7.2408 117.7963 59.6108 29.0039 173.5050 21 N 4.5315 8.5726 118.3742 53.7109 38.2616 175.3179 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 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 2 I 7.99 3.71 2.03 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.17 1.09 0.00 0.00 3 V 8.28 3.45 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 0.97 0.00 0.00 0.80 0.00 0.00 4 E 7.98 3.89 0.00 2.24 1.96 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 0.00 2.39 2.41 0.00 5 Q 8.19 3.95 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 6 C 8.25 4.25 0.00 2.98 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 7 C 7.22 4.27 0.00 2.89 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 8 T 8.56 4.18 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 1.26 0.00 0.00 9 S 8.68 4.61 0.00 3.95 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.67 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.56 0.91 0.00 0.00 11 C 8.37 5.15 0.00 3.17 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 12 S 8.70 4.92 0.00 4.24 4.10 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 0.00 0.00 0.00 13 L 8.27 4.01 0.00 1.38 1.54 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.84 4.07 0.00 3.00 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 15 Q 8.35 4.26 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 16 L 8.00 4.17 0.00 1.92 1.74 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.07 4.04 0.00 2.17 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 0.00 2.32 2.35 0.00 18 N 8.11 4.44 0.00 2.79 2.57 0.00 0.00 6.91 7.14 0.00 0.00 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 7.81 4.32 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 7.24 4.41 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.53 0.00 2.72 2.73 0.00 0.00 6.81 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