NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.6817 8.0232 122.7654 51.8132 20.9936 178.7640 5 K 3.6187 7.0862 115.6939 57.6755 31.8935 177.3648 6 W 4.4351 7.9772 117.7579 59.3931 28.6209 177.8753 7 D 4.4475 7.6335 119.7674 57.1552 40.3024 178.1987 8 Q 3.9544 8.1713 120.0991 58.9170 29.0798 177.8246 9 W 4.6288 8.4777 129.5441 60.8452 30.6983 177.5837 10 S 3.9865 8.3432 112.8579 61.7219 61.7444 176.4834 11 S 4.1521 8.1527 117.6432 61.6563 62.5729 176.2818 12 D 4.4130 8.3877 121.8919 57.2533 40.4859 178.7801 13 W 3.9959 8.0028 128.8776 60.1106 30.5662 177.8923 14 Q 3.8718 8.0098 119.8399 59.5022 28.4923 178.4760 15 T 3.8996 7.8231 116.8147 66.1679 68.4124 176.6463 16 W 4.1394 8.2217 130.4527 60.4498 30.5790 177.7904 17 N 3.7213 7.9709 116.5107 56.0866 38.0422 177.2727 18 A 3.8817 7.8346 122.1487 54.8088 18.4156 179.6792 19 K 3.7970 7.8704 118.2923 59.2018 32.2071 178.7638 20 W 3.7348 7.6532 129.0231 60.5662 30.4117 177.6249 21 D 4.2588 8.2215 118.8901 57.2320 40.2079 178.6022 22 Q 3.8246 7.8176 119.6398 58.8647 29.0040 178.0451 23 W 3.9097 7.8761 129.3335 60.4716 30.6123 177.7973 24 S 3.3549 7.6115 113.0786 61.1620 61.7543 175.8885 25 N 4.2353 8.0568 119.2209 56.4227 38.2606 177.1636 26 D 4.2708 7.9079 120.2595 56.8131 40.7520 178.7016 27 W 3.8213 7.6521 129.1721 60.4580 30.6412 177.7770 28 N 4.1323 8.3806 116.5972 56.2730 37.8536 177.3047 29 A 3.9223 7.9517 122.1577 54.5674 18.3572 179.5604 30 W 3.8324 8.0137 126.9145 60.5619 30.7951 178.0909 31 R 3.1691 7.6677 118.4237 59.4375 29.4878 179.0486 32 S 3.9945 7.8105 114.3295 61.7190 62.7315 176.5195 33 D 4.2523 8.0342 121.8439 57.0241 40.4119 178.7722 34 W 3.7184 7.5720 129.1118 60.3320 30.5641 178.1242 35 Q 3.8016 8.3233 118.0535 58.7618 28.1249 178.5179 36 A 3.8776 7.8578 121.7929 54.9212 18.4178 179.4624 37 W 3.8952 8.1752 126.9062 60.3529 30.6785 178.0300 38 K 2.8503 7.6910 119.8032 59.2650 31.4919 178.5305 39 D 4.2050 7.8631 119.0935 57.3826 40.7253 178.4859 40 D 4.2076 7.8122 119.4599 56.8561 40.8761 178.6398 41 W 3.8937 7.9878 129.0103 60.3831 30.5981 177.9453 42 A 3.6114 8.3015 120.9987 55.0396 17.7362 179.8821 43 R 3.6322 7.7967 116.6752 59.0756 30.0456 179.2972 44 W 3.5567 7.8389 118.7138 59.3214 28.8745 178.3802 45 N 4.2674 7.5760 116.2654 56.3745 37.7178 177.3692 46 Q 3.8903 7.4713 118.0845 58.7626 28.9526 178.5690 47 R 3.8726 7.6693 119.5748 59.4407 30.1115 178.7446 48 W 4.5855 8.0616 118.7747 59.6997 28.9354 177.9871 49 D 4.6499 8.1903 118.2507 57.2233 40.4000 177.6433 50 N 4.5772 7.9307 115.4014 54.8956 38.6008 176.2294 51 W 4.2888 8.6439 129.1963 58.7770 30.9938 175.5484 52 A 4.2632 7.9196 126.0667 52.7057 17.8398 176.9662 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 4 A 8.02 4.68 1.09 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 0.00 0.00 5 K 7.09 3.62 0.00 1.68 1.88 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.41 7.81 6 W 7.98 4.44 0.00 3.61 3.53 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 0.00 0.00 0.00 0.00 7 D 7.63 4.45 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 3.95 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 9 W 8.48 4.63 0.00 3.48 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 3.99 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.15 4.15 0.00 4.08 3.92 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 D 8.39 4.41 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.00 4.00 0.00 2.45 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 14 Q 8.01 3.87 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 15 T 7.82 3.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 16 W 8.22 4.14 0.00 3.24 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.97 3.72 0.00 2.68 2.66 0.00 0.00 6.93 7.76 0.00 0.00 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 A 7.83 3.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 3.80 0.00 1.80 1.78 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.39 1.42 7.81 20 W 7.65 3.73 0.00 2.16 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.26 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.82 3.82 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 23 W 7.88 3.91 0.00 3.34 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 24 S 7.61 3.35 0.00 3.37 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.06 4.24 0.00 2.81 2.76 0.00 0.00 7.04 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 26 D 7.91 4.27 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.82 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.13 0.00 2.86 2.80 0.00 0.00 6.98 6.81 0.00 0.00 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 A 7.95 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.01 3.83 0.00 3.41 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.67 3.17 0.00 1.63 1.71 0.00 3.02 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.70 0.00 32 S 7.81 3.99 0.00 3.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.03 4.25 0.00 2.51 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 7.57 3.72 0.00 1.81 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 3.80 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 36 A 7.86 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.18 3.90 0.00 3.34 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 2.85 0.00 0.79 1.36 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.02 1.26 7.81 39 D 7.86 4.21 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.81 4.21 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.99 3.89 0.00 2.05 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.30 3.61 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 3.63 0.00 1.71 1.53 0.00 2.84 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 44 W 7.84 3.56 0.00 3.22 2.56 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 0.00 0.00 0.00 0.00 45 N 7.58 4.27 0.00 2.52 2.61 0.00 0.00 6.96 7.04 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 46 Q 7.47 3.89 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 47 R 7.67 3.87 0.00 1.57 1.46 0.00 2.98 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.28 0.00 48 W 8.06 4.59 0.00 3.30 3.06 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 49 D 8.19 4.65 0.00 3.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 7.93 4.58 0.00 2.86 2.90 0.00 0.00 6.96 9.02 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 51 W 8.64 4.29 0.00 3.43 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.26 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00