NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3794 8.0433 122.7593 54.8265 44.0705 175.0513 2 K 5.0057 8.5764 124.6259 54.4668 35.0129 173.2446 3 C 5.4564 10.0173 122.5004 55.0766 44.9095 173.2087 4 N 5.2163 9.6192 119.1615 53.5353 39.2200 175.6783 5 K 4.5869 8.0883 120.8913 54.9653 34.7132 175.4714 6 L 3.8757 8.6251 120.9379 58.6782 41.9322 178.3516 7 V 4.1963 7.4935 118.7752 60.4519 32.3016 174.2219 8 P 4.3156 0.0000 0.0000 65.8683 31.4411 177.5210 9 L 4.2012 8.2017 116.8427 57.3018 41.9580 177.1379 10 F 4.7696 8.6497 117.1701 56.5463 41.5254 174.4647 11 Y 5.2225 7.7117 116.9138 56.9380 40.3303 172.6977 12 K 4.7720 9.0819 119.0492 55.9307 36.7772 174.6876 13 T 4.8093 8.3247 111.1111 60.9435 69.8419 175.4708 14 C 4.6959 9.3858 124.2597 56.2133 35.7021 172.0844 15 P 4.5296 0.0000 0.0000 61.4863 32.1925 175.3659 16 A 4.1862 8.3350 122.3307 53.4908 18.3525 177.4930 17 G 3.9764 8.8125 110.3289 45.4207 0.0000 173.9674 18 K 4.5577 7.8712 118.1050 54.8947 33.1624 175.8853 19 N 5.0872 8.4548 124.8747 52.4592 39.6299 175.1167 20 L 5.0320 7.5538 115.9713 53.5428 46.8634 175.1035 21 C 5.5904 9.4051 119.7297 55.7437 37.5325 172.5043 22 Y 5.6972 8.6360 118.6375 55.7604 41.7326 173.7992 23 K 4.7561 9.3793 119.5345 54.7852 36.4092 174.7840 24 M 4.9775 8.6189 123.6647 53.7969 34.7410 174.2608 25 F 5.0675 9.4563 124.8287 55.9233 42.7173 174.1152 26 M 4.8549 8.4380 121.3381 53.6516 33.5636 177.3409 27 V 3.6593 8.5832 116.9978 64.6101 31.7415 177.8890 28 A 4.1318 8.2475 122.2473 54.3787 19.0820 177.4463 29 T 4.7270 8.0288 106.0853 59.4278 68.2246 173.1655 30 P 4.4839 0.0000 0.0000 65.6027 32.1135 178.3741 31 K 4.2392 8.0670 117.4247 57.1539 32.7573 176.5137 32 V 4.3321 7.3468 117.0217 59.7751 32.8868 173.3350 33 P 3.6974 0.0000 0.0000 62.8112 31.4668 176.7329 34 V 3.9571 8.1031 113.9475 61.6107 32.2355 176.0484 35 K 4.5292 7.2508 120.0843 55.5173 34.9576 174.3515 36 R 4.8255 6.8657 121.8495 54.4625 34.7492 176.1852 37 G 3.8618 6.9728 107.2111 46.6736 0.0000 172.0018 38 C 5.3652 8.3275 118.8633 56.1945 40.6099 172.5049 39 I 4.3938 8.0233 119.6382 60.3752 40.1305 173.4561 40 D 4.4850 7.9152 123.8402 55.2526 41.7973 175.8109 41 V 3.9026 7.2286 118.9768 61.4573 32.6988 176.5952 42 C 4.2454 8.6013 127.8095 55.6237 43.8700 171.4223 43 P 4.1109 0.0000 0.0000 62.0742 31.3829 175.7717 44 K 4.1998 8.0631 122.3222 55.9617 32.8639 177.0867 45 S 4.8089 8.6100 122.3783 58.4882 63.5978 173.1079 46 S 4.8097 8.9352 117.1344 56.1840 66.0743 173.6455 47 L 4.0662 8.6942 121.0732 57.6516 41.8753 177.4508 48 L 4.5538 7.8729 115.6451 54.2817 43.2379 175.4448 49 V 4.7744 7.9274 119.4887 60.9545 34.4147 174.1494 50 K 4.9262 8.9803 127.6506 54.8317 34.7762 174.9293 51 Y 5.3962 8.8892 121.3779 56.2345 41.3191 175.3515 52 V 4.5600 9.1539 122.3360 61.4543 34.4823 173.4847 53 C 5.8192 9.0526 125.0608 55.4305 40.6446 172.2383 54 C 5.1646 9.2169 116.7199 53.3843 45.3189 173.3692 55 N 5.1704 8.3901 115.0471 52.4156 37.2964 174.2072 56 T 4.6745 7.3361 107.0753 60.0945 72.4636 173.1673 57 D 4.6347 8.9192 122.2833 56.7073 41.1721 177.1398 58 R 3.7157 8.6384 124.3572 57.2122 28.3021 174.8901 59 C 4.4723 8.0940 111.8510 56.5609 42.5982 173.2983 60 N 4.5603 7.9838 122.6390 52.9390 37.1620 174.5459 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 L 8.04 4.38 0.00 1.81 1.63 0.98 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.58 5.01 0.00 1.73 1.77 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 C 10.02 5.46 0.00 2.85 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 9.62 5.22 0.00 2.65 2.80 0.00 0.00 6.88 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.09 4.59 0.00 1.80 1.77 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.45 7.81 6 L 8.63 3.88 0.00 1.51 1.65 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.49 4.20 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 1.07 0.00 0.00 0.82 0.00 0.00 8 P 0.00 4.32 0.00 2.12 2.17 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 9 L 8.20 4.20 0.00 1.95 1.97 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.65 4.77 0.00 2.91 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 11 Y 7.71 5.22 0.00 3.09 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 12 K 9.08 4.77 0.00 1.81 1.93 0.00 1.33 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 13 T 8.32 4.81 4.27 0.00 0.00 0.00 0.00 0.00 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 14 C 9.39 4.70 0.00 2.87 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 16 A 8.33 4.19 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.81 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.87 4.56 0.00 1.77 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 19 N 8.45 5.09 0.00 2.70 2.82 0.00 0.00 6.93 7.85 0.00 0.00 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 L 7.55 5.03 0.00 1.74 1.56 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.41 5.59 0.00 2.97 3.10 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 22 Y 8.64 5.70 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 23 K 9.38 4.76 0.00 1.87 1.48 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.23 1.36 7.81 24 M 8.62 4.98 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.32 0.00 25 F 9.46 5.07 0.00 2.90 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 26 M 8.44 4.85 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 27 V 8.58 3.66 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 0.68 0.00 0.00 0.98 0.00 0.00 28 A 8.25 4.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.03 4.73 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 P 0.00 4.48 0.00 2.15 2.21 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 31 K 8.07 4.24 0.00 1.81 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 32 V 7.35 4.33 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 0.78 0.00 0.00 0.96 0.00 0.00 33 P 0.00 3.70 0.00 1.82 0.49 0.00 3.71 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 34 V 8.10 3.96 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 0.61 0.00 0.00 0.92 0.00 0.00 35 K 7.25 4.53 0.00 1.79 1.74 0.00 1.88 0.00 0.00 2.09 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.50 7.81 36 R 6.87 4.83 0.00 1.66 1.56 0.00 3.31 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.35 0.00 37 G 6.97 3.86 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 0.00 0.00 0.00 38 C 8.33 5.37 0.00 3.05 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 39 I 8.02 4.39 1.75 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.94 0.87 0.00 0.00 40 D 7.92 4.49 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.23 3.90 1.98 0.00 0.00 0.00 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 0.88 0.00 0.00 42 C 8.60 4.25 0.00 2.95 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 43 P 0.00 4.11 0.00 0.49 0.95 0.00 3.30 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.52 0.00 44 K 8.06 4.20 0.00 1.69 1.69 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 45 S 8.61 4.81 0.00 3.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.94 4.81 0.00 3.90 3.88 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 47 L 8.69 4.07 0.00 1.62 1.75 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.87 4.55 0.00 1.73 1.65 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.93 4.77 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 0.69 0.00 0.00 0.93 0.00 0.00 50 K 8.98 4.93 0.00 1.70 1.66 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.47 7.81 51 Y 8.89 5.40 0.00 2.90 2.91 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 0.00 0.00 0.00 52 V 9.15 4.56 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.07 0.00 0.00 53 C 9.05 5.82 0.00 2.91 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 54 C 9.22 5.16 0.00 2.99 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.39 5.17 0.00 2.82 2.88 0.00 0.00 5.83 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.34 4.67 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 57 D 8.92 4.63 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.64 3.72 0.00 1.69 1.81 0.00 2.50 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.23 0.00 59 C 8.09 4.47 0.00 3.12 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 60 N 7.98 4.56 0.00 2.81 2.83 0.00 0.00 5.92 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