NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0117 8.2127 109.7467 45.2623 0.0000 174.0563 2 I 3.1427 8.0109 117.7083 62.8808 37.4012 172.7937 3 V 3.4935 7.6962 118.0078 65.8546 31.9762 176.5729 4 E 4.0570 8.0534 117.1720 59.5798 29.5950 178.1824 5 Q 4.1742 8.0927 118.0025 58.2744 29.2648 176.0804 6 C 4.7416 7.9383 114.1581 59.6832 29.1315 173.7860 7 C 4.8569 7.9667 115.1071 59.5826 29.5511 173.8816 8 T 4.4076 8.0281 114.3724 64.8322 70.4632 174.3450 9 S 4.7345 7.7369 115.1676 56.6437 64.4904 174.1040 10 I 3.8729 8.1653 125.0476 61.5388 37.4584 175.3824 11 C 4.7490 8.4640 123.2251 58.5128 29.4717 174.4910 12 S 4.4712 9.1025 119.9353 57.9070 64.7747 175.4762 13 L 4.0725 8.4687 122.1664 58.0339 41.0974 179.0638 14 Y 4.0596 8.0356 118.0046 60.9587 38.9538 177.7316 15 Q 4.1446 8.4077 118.8095 59.1707 28.8055 179.0710 16 L 4.2184 8.5684 120.2376 57.7510 41.7032 179.0763 17 E 3.9659 8.2932 119.3005 59.1957 29.2064 178.5484 18 N 4.2104 7.5547 115.6151 55.5647 38.5560 175.7778 19 Y 4.4010 7.8449 116.4224 57.5289 38.7022 175.7135 20 C 4.4116 7.1241 117.4659 59.2408 28.9889 173.4893 21 N 4.5094 8.6033 117.9410 53.8398 38.0751 175.2444 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 8.01 3.14 0.75 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.66 0.00 0.00 3 V 7.70 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 0.87 0.00 0.00 0.87 0.00 0.00 4 E 8.05 4.06 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 5 Q 8.09 4.17 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 6 C 7.94 4.74 0.00 3.11 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 7 C 7.97 4.86 0.00 3.29 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 8 T 8.03 4.41 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 7.74 4.73 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.17 3.87 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 1.42 0.47 0.93 0.00 0.00 11 C 8.46 4.75 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.10 4.47 0.00 4.11 4.06 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 13 L 8.47 4.07 0.00 1.78 1.81 0.95 0.70 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 14 Y 8.04 4.06 0.00 2.94 3.01 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 15 Q 8.41 4.14 0.00 2.49 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 16 L 8.57 4.22 0.00 1.84 1.78 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.29 3.97 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 18 N 7.55 4.21 0.00 2.47 2.45 0.00 0.00 6.97 7.35 0.00 0.00 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 7.84 4.40 0.00 3.07 2.97 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 0.00 0.00 0.00 20 C 7.12 4.41 0.00 3.04 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 21 N 8.60 4.51 0.00 2.71 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