NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 R 4.2750 8.2431 120.8651 55.7086 31.2043 175.1970 1 G 3.7023 8.6551 114.1620 45.0019 0.0000 171.4503 2 I 3.5831 8.2109 119.8731 63.3023 39.0756 176.7473 3 V 3.6168 7.5857 119.6182 65.6477 30.6865 177.6117 4 E 3.9592 8.2660 120.7981 58.6918 29.6321 178.4359 5 Q 4.5999 7.9030 114.2767 56.0607 29.0156 176.5134 6 C 5.1198 7.8346 111.7684 56.1000 42.2872 174.4527 7 C 4.7355 7.9188 114.9030 59.4256 28.9218 174.2260 8 T 4.3899 7.5807 106.5575 62.5712 69.9625 174.7058 9 S 4.5873 7.7369 116.8500 56.6891 64.6959 172.6760 10 I 4.4503 7.9765 122.3052 59.6308 38.1360 175.8515 11 C 4.7382 8.6592 126.5715 56.3563 37.1540 174.6345 12 S 4.4977 9.4232 120.7842 57.6367 64.4551 174.9981 13 L 4.1014 8.3366 122.6355 58.0439 41.2882 178.0405 14 Y 4.3080 7.6368 115.0159 60.2673 38.4718 177.2911 15 Q 4.2219 7.9826 119.3365 58.8261 28.8057 178.4545 16 L 4.2412 8.5904 120.4977 57.8728 41.6046 178.9595 17 E 4.1025 8.0017 117.5459 58.2835 29.3432 178.0403 18 N 4.3614 7.7881 115.5139 55.5495 38.5026 174.9333 19 Y 4.6320 7.7285 116.5700 57.7459 38.5440 175.2860 20 C 4.6217 7.5172 118.1767 58.5891 29.6757 173.6045 21 N 4.5436 8.5764 118.4814 53.7144 38.2556 175.2888 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 0 R 8.24 4.27 0.00 1.78 1.96 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 1 G 8.66 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.58 1.51 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.92 0.81 0.00 0.00 3 V 7.59 3.62 2.06 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 0.88 0.00 0.00 0.89 0.00 0.00 4 E 8.27 3.96 0.00 2.05 1.94 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 2.39 2.32 0.00 5 Q 7.90 4.60 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 6 C 7.83 5.12 0.00 2.98 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 7 C 7.92 4.74 0.00 3.24 2.89 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 8 T 7.58 4.39 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 4.59 0.00 4.10 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.45 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 0.93 0.00 0.00 11 C 8.66 4.74 0.00 3.03 3.09 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 0.00 0.00 0.00 12 S 9.42 4.50 0.00 4.22 4.13 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 0.00 0.00 0.00 0.00 13 L 8.34 4.10 0.00 1.49 1.02 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.64 4.31 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.22 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.59 4.24 0.00 1.84 1.76 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.00 4.10 0.00 2.28 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 2.31 2.35 0.00 18 N 7.79 4.36 0.00 2.33 2.38 0.00 0.00 6.84 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 7.73 4.63 0.00 3.08 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 20 C 7.52 4.62 0.00 2.93 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 8.58 4.54 0.00 2.70 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