NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6517 8.2827 119.2023 53.5407 41.1960 176.2746 7 K 3.8564 7.9238 118.5653 58.6608 31.8185 175.0874 8 E 3.9738 9.1428 120.1265 59.9541 29.6798 178.8174 9 M 4.1037 7.7240 117.5099 58.4707 32.1482 179.1314 10 R 3.9430 7.9696 115.5510 59.1342 29.4864 178.5341 11 N 4.4413 8.2095 116.7995 56.2898 38.5955 176.8351 12 A 4.0129 7.7009 121.9002 55.6231 18.3422 178.5699 13 Y 3.9903 8.3239 117.8665 61.1756 38.8630 178.7396 14 W 4.1239 8.3707 119.0078 59.4982 28.9764 177.9593 15 E 3.9918 8.7682 118.8676 59.6415 29.2233 178.8409 16 I 3.7538 8.0676 119.5628 64.3685 36.9824 178.3870 17 A 3.8488 7.8535 120.3427 54.4281 18.1873 178.6827 18 L 4.5788 7.5923 114.8568 53.8167 42.6657 176.8832 19 L 4.0288 7.3110 121.2010 54.1989 41.8500 176.3356 20 P 4.2800 0.0000 0.0000 65.3673 31.2988 176.8308 21 N 4.7442 8.4779 113.6704 52.7541 39.0645 174.7166 22 L 4.5796 7.2813 119.1421 53.7172 42.8790 177.1475 23 N 4.7100 8.9747 121.4506 52.2764 39.6172 176.0974 24 N 4.3198 8.6268 117.9951 56.5476 38.5118 177.6347 25 Q 3.9433 8.0934 118.8591 59.0118 28.8870 178.6733 26 Q 3.8266 8.1906 118.7468 59.0319 28.7428 178.9815 27 K 4.1025 8.1121 119.3698 59.5565 31.9246 179.4732 28 R 3.7852 8.3399 118.3226 59.1877 29.9933 178.4783 29 A 4.1169 7.7050 120.3575 55.4470 18.2266 179.5078 30 F 4.2227 7.6495 115.5477 60.9860 39.0252 177.9185 31 I 3.7870 8.0577 119.4080 64.4650 36.9217 178.4101 32 R 3.8387 8.8478 120.5714 59.6561 29.8749 178.5883 33 S 4.1660 8.3599 112.9516 60.9670 62.2768 175.8103 34 L 3.9972 8.2584 123.3528 58.6046 41.7241 178.7511 35 Y 4.1160 8.3314 115.0724 60.8183 37.7616 178.1796 36 D 4.8250 8.0702 119.5045 55.8904 41.8115 176.2360 37 D 4.6324 8.3356 121.7147 50.8069 42.4912 173.6106 38 P 4.4619 0.0000 0.0000 64.6817 31.1376 178.3333 39 S 4.2287 8.1260 111.8379 61.1589 62.9435 175.4974 40 Q 4.3788 7.8752 120.0641 55.9108 28.5720 177.3320 41 S 4.1619 8.1543 117.8722 61.7399 62.7796 176.5548 42 A 3.9838 7.9350 123.6189 54.8464 18.2187 179.2549 43 N 4.2807 8.0440 114.4223 56.6149 38.7798 177.6200 44 L 4.1105 8.4741 120.7237 57.4715 41.7465 179.4121 45 L 3.7926 8.0397 120.1860 57.9617 42.0279 178.8789 46 A 3.8797 7.7455 120.1326 55.1517 18.2420 178.8044 47 E 3.8133 8.0635 117.7262 59.8447 29.6198 179.2276 48 A 3.0855 7.6392 120.2802 54.6535 18.2325 179.8103 49 K 3.8978 7.7060 116.8929 59.2482 32.1333 179.5317 50 K 3.9239 8.1894 120.2345 59.4146 32.1473 178.6889 51 L 4.0495 7.7202 120.7643 57.8521 41.7775 178.3843 52 N 4.3222 7.9086 116.5183 56.8159 39.2822 176.3820 53 D 4.4711 8.3367 120.1294 57.1396 40.6579 178.5747 54 A 4.0833 7.7737 120.6082 54.6338 18.3962 178.6604 55 Q 4.3778 7.7665 113.6432 54.6993 29.4189 175.9069 56 A 4.0519 7.1194 123.4409 51.5939 18.9085 176.4359 57 P 4.4027 0.0000 0.0000 62.4302 31.8883 176.8053 58 K 4.1492 8.3843 121.6628 57.2276 32.3852 175.7987 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 6 N 8.28 4.65 0.00 2.80 2.86 0.00 0.00 6.71 5.65 0.00 0.00 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 K 7.92 3.86 0.00 1.95 1.79 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.72 1.60 7.81 8 E 9.14 3.97 0.00 2.01 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 0.00 2.42 2.38 0.00 9 M 7.72 4.10 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 10 R 7.97 3.94 0.00 2.11 2.20 0.00 3.02 0.00 0.00 3.42 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 11 N 8.21 4.44 0.00 2.93 2.97 0.00 0.00 6.72 7.14 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 12 A 7.70 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 3.99 0.00 3.12 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 14 W 8.37 4.12 0.00 3.71 3.35 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 15 E 8.77 3.99 0.00 2.09 2.25 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 2.32 2.38 0.00 16 I 8.07 3.75 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 1.30 0.51 0.93 0.00 0.00 17 A 7.85 3.85 0.98 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 18 L 7.59 4.58 0.00 1.76 1.80 1.09 1.11 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 19 L 7.31 4.03 0.00 1.65 1.83 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.28 0.00 2.18 2.20 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 21 N 8.48 4.74 0.00 3.03 3.02 0.00 0.00 7.03 8.54 0.00 0.00 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 L 7.28 4.58 0.00 1.77 1.64 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.97 4.71 0.00 3.00 2.96 0.00 0.00 6.73 6.48 0.00 0.00 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 N 8.63 4.32 0.00 2.73 2.89 0.00 0.00 6.81 7.74 0.00 0.00 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 Q 8.09 3.94 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 26 Q 8.19 3.83 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 27 K 8.11 4.10 0.00 1.94 1.82 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.71 7.81 28 R 8.34 3.79 0.00 1.95 1.90 0.00 3.10 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 29 A 7.70 4.12 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.65 4.22 0.00 3.31 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 31 I 8.06 3.79 1.90 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.98 0.00 0.00 32 R 8.85 3.84 0.00 1.82 1.99 0.00 3.05 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 33 S 8.36 4.17 0.00 4.11 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 34 L 8.26 4.00 0.00 2.02 2.03 0.95 0.88 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 35 Y 8.33 4.12 0.00 3.07 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 36 D 8.07 4.82 0.00 2.86 2.76 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 37 D 8.34 4.63 0.00 2.70 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 38 P 0.00 4.46 0.00 2.17 2.04 0.00 3.94 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 2.07 1.94 0.00 39 S 8.13 4.23 0.00 4.02 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 40 Q 7.88 4.38 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 41 S 8.15 4.16 0.00 4.08 4.26 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 42 A 7.93 3.98 1.34 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 0.00 0.00 43 N 8.04 4.28 0.00 2.97 2.90 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.47 4.11 0.00 1.77 1.81 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.04 3.79 0.00 1.96 1.70 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.75 3.88 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 47 E 8.06 3.81 0.00 2.33 2.20 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 2.61 2.61 0.00 48 A 7.64 3.09 0.37 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.71 3.90 0.00 1.94 1.82 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.53 7.81 50 K 8.19 3.92 0.00 1.90 1.96 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 51 L 7.72 4.05 0.00 1.85 1.93 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.91 4.32 0.00 2.80 2.96 0.00 0.00 7.26 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.34 4.47 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.77 4.38 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 56 A 7.12 4.05 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 57 P 0.00 4.40 0.00 2.06 2.02 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 58 K 8.38 4.15 0.00 1.78 1.70 0.00 1.49 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.71 7.81