NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0191 8.2127 109.7451 45.4927 0.0000 173.4504 2 I 2.9513 8.3397 117.6618 63.1697 37.5375 173.8470 3 V 3.4902 8.3705 119.9467 66.1215 31.7336 177.2940 4 E 3.9486 8.0480 116.4414 59.4120 29.3997 178.6280 5 Q 4.1991 8.2923 119.0043 58.2237 29.3611 176.2415 6 C 5.2055 8.2721 115.4754 55.7996 41.9251 174.7191 7 C 4.2729 8.3548 117.7652 59.9486 28.5120 173.9997 8 T 4.4176 7.5692 108.9795 61.8314 69.9318 174.2701 9 S 4.5645 7.3548 114.8984 56.9681 65.1392 173.3778 10 I 3.8729 8.3132 127.0570 61.5140 37.3403 176.1550 11 C 4.9929 8.5874 123.2883 55.3042 41.1081 174.5582 12 S 4.5112 9.1947 120.5393 57.8203 64.9784 175.3176 13 L 4.0045 8.4759 121.7588 58.0188 41.0361 179.1464 14 Y 4.1889 8.0119 118.1320 61.0056 39.1314 177.7802 15 Q 4.2105 8.3785 118.8920 59.0467 28.7702 178.8313 16 L 4.3886 8.4091 120.0081 57.4199 41.6116 179.1609 17 E 3.9480 8.0919 118.4861 59.2508 29.0672 178.7873 18 N 4.3105 7.7522 115.0618 55.3416 38.5372 175.7411 19 Y 4.5266 7.6041 116.4681 57.0616 38.5307 175.3366 20 C 4.5004 7.2962 118.5385 58.9595 29.2136 173.5259 21 N 4.5287 8.5003 117.1221 53.8248 38.1625 175.4805 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 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 2.95 0.98 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 1.09 0.53 0.70 0.00 0.00 3 V 8.37 3.49 2.05 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 1.08 0.00 0.00 0.88 0.00 0.00 4 E 8.05 3.95 0.00 2.10 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 8.29 4.20 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 6 C 8.27 5.21 0.00 2.97 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.27 0.00 3.05 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 7.57 4.42 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 1.24 0.00 0.00 9 S 7.35 4.56 0.00 3.84 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 10 I 8.31 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 0.66 0.93 0.00 0.00 11 C 8.59 4.99 0.00 2.98 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 9.19 4.51 0.00 4.09 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 8.48 4.00 0.00 1.77 1.81 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.01 4.19 0.00 2.95 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.21 0.00 2.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 16 L 8.41 4.39 0.00 1.87 1.80 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.09 3.95 0.00 1.99 1.88 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 2.30 2.57 0.00 18 N 7.75 4.31 0.00 2.47 2.51 0.00 0.00 6.95 8.37 0.00 0.00 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 7.60 4.53 0.00 3.05 2.96 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 0.00 0.00 0.00 20 C 7.30 4.50 0.00 3.03 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 8.50 4.53 0.00 2.71 2.73 0.00 0.00 6.75 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