NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3343 8.4444 120.2238 55.7967 32.1629 176.5772 2 E 4.4859 7.4136 118.1606 53.1254 29.7232 171.1955 3 Y 4.2164 8.0554 119.8319 57.5150 43.1978 171.7663 4 K 3.9338 8.6480 119.6397 57.7527 32.4211 176.8744 5 C 3.8574 8.4741 117.4854 58.9737 27.5173 171.3701 6 Y 5.6832 6.7611 117.4974 54.1898 39.9855 174.6332 7 C 4.4419 8.7991 125.1944 59.2984 32.8717 173.3789 8 T 5.6915 8.3261 113.7209 60.4670 70.2884 173.2493 9 D 4.5846 8.5156 122.1278 55.3550 42.5300 174.9036 10 T 4.9996 7.7091 111.4774 59.9926 71.4003 172.9691 11 Y 4.9841 8.0282 118.7063 57.5747 42.9054 175.4134 12 S 5.0888 8.7733 113.9898 58.6869 63.4765 173.4749 13 D 4.2804 7.4302 118.3070 53.4181 44.2494 175.8813 14 C 3.8437 7.9998 119.0384 55.9316 41.1084 172.3760 15 P 3.9193 0.0000 0.0000 61.5474 31.5663 177.6909 16 G 3.4492 7.8691 109.4267 48.3497 0.0000 174.8984 17 F 4.3867 6.8169 113.7360 58.6065 38.6109 176.1109 18 C 5.0264 6.8505 121.0261 53.3921 42.9840 172.8481 19 K 3.6473 8.1935 121.9020 59.8693 31.0692 178.4692 20 T 4.4512 7.6320 117.3178 62.4362 67.4058 171.5700 21 C 4.8838 8.2077 118.8455 54.0907 38.2471 173.6689 22 K 4.5372 8.9797 123.6794 54.5374 33.6956 174.9318 23 A 3.6424 8.4682 130.3775 51.0744 18.5317 176.1536 24 E 3.9676 8.0134 120.8827 55.5882 33.0313 176.1906 25 F 3.8702 9.4478 113.7726 57.6452 37.0274 175.2162 26 G 4.0202 8.2359 109.5652 45.5009 0.0000 173.8741 27 K 4.5807 7.8537 118.6587 55.6056 35.1441 174.0843 28 Y 5.2771 8.2436 115.3740 56.1649 42.2352 175.0618 29 I 4.9584 8.3001 119.6937 60.5364 41.7171 175.1756 30 C 4.9797 9.3415 128.1673 55.8750 45.0905 173.3741 31 L 5.0820 7.9355 124.2492 54.5992 41.7929 176.0241 32 D 4.8491 8.0630 116.8706 53.3184 43.9511 175.2888 33 L 5.2468 8.1466 123.0608 54.3499 43.7518 175.0698 34 I 4.3193 8.6419 124.2747 61.1388 42.1123 175.3037 35 S 4.3529 8.1538 117.3770 57.4582 62.7767 173.4931 36 P 4.5975 0.0000 0.0000 64.0237 31.9482 176.7891 37 N 4.8510 8.5084 113.7638 52.8853 39.8724 175.7458 38 D 5.4157 7.6311 126.5480 53.6869 40.5293 176.6445 39 C 4.6824 7.1608 112.0682 59.4321 31.6441 173.5759 40 V 4.1248 8.0513 120.9223 62.6127 31.6915 175.8949 41 K 3.9619 7.7984 124.6942 57.0839 32.1959 173.6804 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 E 8.44 4.33 0.00 1.97 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 0.00 2.19 2.27 0.00 2 E 7.41 4.49 0.00 1.99 1.89 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 2.31 2.43 0.00 3 Y 8.06 4.22 0.00 2.97 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 4 K 8.65 3.93 0.00 1.93 1.97 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.36 7.81 5 C 8.47 3.86 0.00 3.11 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 6 Y 6.76 5.68 0.00 3.12 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 7 C 8.80 4.44 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 8 T 8.33 5.69 4.35 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 1.53 0.00 0.00 9 D 8.52 4.58 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 5.00 4.20 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 1.26 0.00 0.00 11 Y 8.03 4.98 0.00 3.13 2.98 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 12 S 8.77 5.09 0.00 3.97 3.99 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 13 D 7.43 4.28 0.00 2.56 2.35 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 14 C 8.00 3.84 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 3.92 0.00 0.49 0.62 0.00 3.42 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 16 G 7.87 3.45 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 0.00 0.00 0.00 0.00 17 F 6.82 4.39 0.00 3.07 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 6.85 5.03 0.00 3.25 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 19 K 8.19 3.65 0.00 1.85 1.90 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 20 T 7.63 4.45 4.29 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 1.26 0.00 0.00 21 C 8.21 4.88 0.00 2.48 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.98 4.54 0.00 1.91 1.77 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.38 7.81 23 A 8.47 3.64 0.52 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 0.00 0.00 24 E 8.01 3.97 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.06 0.00 25 F 9.45 3.87 0.00 3.29 3.14 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 26 G 8.24 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 27 K 7.85 4.58 0.00 2.02 2.07 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.85 1.57 7.81 28 Y 8.24 5.28 0.00 3.35 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 4.96 2.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 1.04 0.00 0.00 30 C 9.34 4.98 0.00 3.66 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 5.08 0.00 1.60 1.65 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.06 4.85 0.00 2.96 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 33 L 8.15 5.25 0.00 1.74 1.63 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.64 4.32 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.31 0.93 0.00 0.00 35 S 8.15 4.35 0.00 3.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.60 0.00 2.21 2.15 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 37 N 8.51 4.85 0.00 2.77 2.87 0.00 0.00 5.97 8.03 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 38 D 7.63 5.42 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.16 4.68 0.00 2.86 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 40 V 8.05 4.12 2.02 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 0.68 0.00 0.00 0.86 0.00 0.00 41 K 7.80 3.96 0.00 1.68 1.57 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.15 1.17 7.81