NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2855 8.1727 119.9976 56.0645 34.9777 176.8716 4 Q 3.7381 8.1672 121.3818 59.2528 28.6354 177.0175 5 I 3.7558 7.8290 120.7252 64.0693 37.7900 176.8989 6 E 3.9241 8.2590 119.7808 59.7784 29.3390 178.5978 7 D 4.3606 8.3291 118.6841 57.2165 40.7762 178.7737 8 K 4.0147 8.2395 120.2522 59.3020 32.2317 178.6524 9 G 3.9163 8.1159 106.1118 48.3652 0.0000 175.2619 10 E 4.0364 8.1678 121.4756 58.8192 29.4683 179.2888 11 E 3.9429 8.2032 119.2102 59.2764 29.7624 178.7754 12 I 3.6837 8.0715 120.2720 64.4219 37.1482 178.1515 13 L 3.8906 8.0455 121.0575 58.0919 41.9480 178.8392 14 S 4.3016 8.1626 113.1724 61.4975 62.2350 176.3295 15 K 4.0474 8.1366 121.1205 59.4510 31.7257 179.2675 16 L 3.9493 7.8278 119.2126 57.9533 41.5055 179.1326 17 Y 4.1773 8.0513 116.7041 61.4075 37.8242 178.2461 18 H 4.2032 8.3718 118.9996 59.2663 29.9133 177.1381 19 I 3.8920 8.0434 123.3651 63.9452 36.9535 178.1331 20 E 3.9563 8.3901 119.1939 59.4970 29.2372 179.2267 21 N 4.3615 8.1949 116.5306 56.2832 38.3374 177.3172 22 E 3.9263 8.2229 119.9753 59.4716 29.4961 179.4079 23 L 4.0670 8.1773 118.8924 57.5585 41.5396 179.5348 24 A 3.9664 8.0468 120.8139 55.1891 18.3630 179.7116 25 R 3.8700 7.9346 116.5867 59.6291 30.3046 179.3731 26 I 3.7122 8.0457 119.6702 64.4437 37.1286 178.7733 27 K 4.0689 8.4149 119.4522 58.8238 31.7795 179.5551 28 K 3.9248 7.8812 119.9893 59.5621 32.0159 178.7737 29 L 4.0731 7.6798 117.8127 57.4973 41.4708 178.4365 30 L 4.5397 7.6432 116.7640 53.5470 42.1789 176.8563 31 G 4.0541 7.7066 106.5723 46.7254 0.0000 173.9779 32 E 4.2534 8.1391 122.8807 55.9938 29.6110 175.5642 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 3 K 8.17 4.29 0.00 2.07 2.13 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 4 Q 8.17 3.74 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 5 I 7.83 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.64 0.91 0.00 0.00 6 E 8.26 3.92 0.00 2.09 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 2.39 2.44 0.00 7 D 8.33 4.36 0.00 2.94 2.71 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 0.00 0.00 0.00 0.00 8 K 8.24 4.01 0.00 2.04 1.94 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 9 G 8.12 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 0.00 0.00 0.00 10 E 8.17 4.04 0.00 2.18 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 2.50 2.48 0.00 11 E 8.20 3.94 0.00 2.07 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 0.00 2.31 2.36 0.00 12 I 8.07 3.68 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.89 0.00 0.00 13 L 8.05 3.89 0.00 1.94 1.89 0.75 0.72 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 14 S 8.16 4.30 0.00 4.01 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 15 K 8.14 4.05 0.00 2.00 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.64 7.81 16 L 7.83 3.95 0.00 1.70 1.54 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.05 4.18 0.00 3.19 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.37 4.20 0.00 3.29 3.52 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.04 3.89 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.89 0.00 0.00 20 E 8.39 3.96 0.00 2.24 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 2.31 2.46 0.00 21 N 8.19 4.36 0.00 2.86 2.86 0.00 0.00 7.00 7.46 0.00 0.00 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 E 8.22 3.93 0.00 2.12 1.96 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 2.26 2.29 0.00 23 L 8.18 4.07 0.00 1.81 1.71 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.05 3.97 1.38 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 0.00 0.00 0.00 25 R 7.93 3.87 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 26 I 8.05 3.71 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.13 0.91 0.00 0.00 27 K 8.41 4.07 0.00 2.03 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.44 7.81 28 K 7.88 3.92 0.00 1.97 1.99 0.00 1.65 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 1.43 1.47 7.81 29 L 7.68 4.07 0.00 1.83 1.74 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.64 4.54 0.00 1.65 1.67 1.01 0.77 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 31 G 7.71 4.05 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 0.00 32 E 8.14 4.25 0.00 2.05 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 2.37 2.36 0.00