NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6292 8.2227 120.3132 53.0346 41.0776 175.9171 2 H 3.7875 8.7271 118.6623 58.6088 29.5639 175.2233 3 Y 3.8789 8.8478 122.1556 60.9668 39.1196 177.3469 4 N 4.3663 8.8910 117.5074 56.1098 38.5939 176.4423 5 C 4.0917 8.2869 120.2158 59.9047 40.5039 175.9476 6 V 3.7550 7.7271 120.9861 65.4567 30.9541 177.9076 7 S 4.1014 7.9821 111.9177 59.8484 62.2544 175.0244 8 S 4.6793 7.5833 114.4433 57.8878 63.2277 174.4982 9 G 3.7889 7.9779 110.5382 45.6084 0.0000 173.6841 10 G 4.0477 8.2909 108.4973 44.5351 0.0000 172.5880 11 Q 4.7147 8.5735 120.0055 54.2695 32.0922 173.6214 12 C 4.9737 8.7622 123.8905 56.2954 39.5023 173.0408 13 L 4.9046 8.8040 123.4718 53.4645 45.3458 177.3163 14 Y 3.7237 8.9382 120.0416 60.1816 38.4951 176.2033 15 S 4.4775 7.9438 113.1866 57.0085 64.4432 173.2948 16 A 4.1841 8.1966 122.8131 51.9265 18.6192 178.1571 17 C 4.3785 8.5331 118.4301 56.2511 36.8656 172.5268 18 P 4.4954 0.0000 0.0000 61.8132 31.8480 175.3642 19 I 3.4712 7.8906 118.8363 62.8723 37.9644 175.4978 20 F 4.1480 8.6901 124.1544 58.0732 35.7797 174.1372 21 T 5.0852 7.7321 109.6256 60.2203 72.2556 172.4740 22 K 4.6768 9.1527 120.7484 55.1637 36.8929 174.9048 23 I 4.2147 8.2134 121.2272 61.0916 38.2964 176.3319 24 Q 4.4157 9.4759 128.5465 52.3231 29.0960 172.9764 25 G 3.6930 8.4769 108.0985 44.4349 0.0000 169.9477 26 T 5.0229 7.8812 107.4986 59.9842 72.0007 173.2624 27 C 4.6946 8.1183 117.9038 56.3297 43.5130 172.9044 28 Y 3.6509 8.6129 115.7014 60.0371 33.7506 170.2047 29 R 3.6970 8.9241 111.2238 57.3620 28.3002 178.3705 30 G 3.9791 8.4895 104.4149 45.6564 0.0000 174.9381 31 K 4.2726 7.8930 117.6128 56.8698 32.8525 175.9186 32 A 4.6593 7.9897 120.4848 49.7409 22.7989 175.0287 33 K 4.5362 9.0573 119.0486 55.2848 34.7386 175.4376 34 C 4.9333 8.8105 124.2859 55.6417 46.1258 171.5137 35 C 5.3592 9.2479 125.0317 55.1128 37.7651 174.1844 36 K 4.1797 8.8300 124.3053 56.7475 32.2983 175.5583 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 D 8.22 4.63 0.00 2.97 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 2 H 8.73 3.79 0.00 3.27 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.85 3.88 0.00 3.14 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 4 N 8.89 4.37 0.00 2.92 2.86 0.00 0.00 6.71 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.29 4.09 0.00 2.97 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 6 V 7.73 3.75 1.81 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 1.09 0.00 0.00 0.80 0.00 0.00 7 S 7.98 4.10 0.00 3.33 3.65 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 0.00 0.00 0.00 0.00 8 S 7.58 4.68 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.98 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 0.00 0.00 0.00 10 G 8.29 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 11 Q 8.57 4.71 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 12 C 8.76 4.97 0.00 2.70 2.26 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 13 L 8.80 4.90 0.00 1.48 1.51 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.94 3.72 0.00 2.99 3.02 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 S 7.94 4.48 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.20 4.18 1.26 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 0.00 0.00 17 C 8.53 4.38 0.00 2.95 3.02 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 18 P 0.00 4.50 0.00 2.23 2.19 0.00 3.71 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 2.08 1.96 0.00 19 I 7.89 3.47 1.61 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.17 0.82 0.00 0.00 20 F 8.69 4.15 0.00 3.30 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.73 5.09 4.37 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 1.25 0.00 0.00 22 K 9.15 4.68 0.00 1.70 1.90 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.52 7.81 23 I 8.21 4.21 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.90 0.00 0.00 24 Q 9.48 4.42 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.49 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 25 G 8.48 3.69 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 0.00 0.00 0.00 26 T 7.88 5.02 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 1.18 0.00 0.00 27 C 8.12 4.69 0.00 1.95 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 0.00 0.00 0.00 28 Y 8.61 3.65 0.00 3.10 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 29 R 8.92 3.70 0.00 2.01 2.04 0.00 3.45 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.49 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 31 K 7.89 4.27 0.00 2.02 2.10 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.65 7.81 32 A 7.99 4.66 0.48 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.06 4.54 0.00 1.66 1.66 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.33 7.81 34 C 8.81 4.93 0.00 2.87 2.99 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 35 C 9.25 5.36 0.00 2.82 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 36 K 8.83 4.18 0.00 1.76 1.54 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.54 7.81