NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 H 4.8391 8.4293 117.8418 55.5795 30.0997 172.1344 20 K 4.2750 8.4831 124.0002 52.5808 33.9203 174.1072 21 P 4.4852 0.0000 0.0000 61.4493 32.9914 175.0614 22 P 4.5273 0.0000 0.0000 61.4195 32.0666 174.3683 23 P 4.4277 0.0000 0.0000 62.7448 31.8297 175.8724 24 E 4.6943 8.2522 119.6799 53.8285 31.5734 174.5797 25 P 4.1994 0.0000 0.0000 62.5721 32.0959 175.1606 26 D 4.6900 8.1045 119.1703 52.8611 41.6783 176.0709 27 W 4.6906 8.8530 125.6421 56.7323 29.7113 177.2250 28 S 4.1933 8.7967 116.8909 61.0449 62.3294 174.2280 29 N 4.8694 8.1035 118.8228 52.1458 39.5536 173.2092 30 T 4.8429 8.2603 121.9647 62.0143 71.3562 174.2144 31 V 4.4972 7.8928 122.0142 60.9720 34.5156 172.1048 32 P 4.4585 0.0000 0.0000 62.5370 32.0125 176.9557 33 V 3.6255 8.4368 122.3593 66.1552 31.6351 176.9370 34 N 4.6795 7.8378 121.1489 52.0671 37.0504 175.0638 35 K 4.1669 8.4012 123.5480 58.5616 32.6046 177.3360 36 T 4.7126 7.3486 106.5342 59.6589 71.8829 172.9709 37 I 4.0837 8.1376 123.3670 59.7371 37.7889 174.6955 38 P 4.5460 0.0000 0.0000 62.5971 32.0624 175.8116 39 V 4.3266 7.9321 111.6307 59.4936 34.4653 175.3062 40 D 4.5988 8.5570 123.7997 53.1402 40.9005 176.2622 41 T 4.1308 8.3676 116.1263 61.9190 69.0393 174.5664 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 19 H 8.43 4.84 0.00 3.18 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.48 4.27 0.00 1.95 1.82 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.50 7.81 21 P 0.00 4.49 0.00 2.21 2.13 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 22 P 0.00 4.53 0.00 2.20 2.10 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 23 P 0.00 4.43 0.00 2.03 2.01 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 24 E 8.25 4.69 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 25 P 0.00 4.20 0.00 1.24 1.62 0.00 3.81 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 26 D 8.10 4.69 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 W 8.85 4.69 0.00 3.29 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.80 4.19 0.00 3.83 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 29 N 8.10 4.87 0.00 2.64 2.72 0.00 0.00 6.80 7.70 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 30 T 8.26 4.84 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31 V 7.89 4.50 2.10 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 0.75 0.00 0.00 1.02 0.00 0.00 32 P 0.00 4.46 0.00 2.10 1.98 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 33 V 8.44 3.63 2.10 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 0.81 0.00 0.00 0.96 0.00 0.00 34 N 7.84 4.68 0.00 2.76 3.00 0.00 0.00 6.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.40 4.17 0.00 1.75 1.88 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.37 7.81 36 T 7.35 4.71 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 37 I 8.14 4.08 1.87 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 1.47 0.43 0.91 0.00 0.00 38 P 0.00 4.55 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 39 V 7.93 4.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 40 D 8.56 4.60 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.37 4.13 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