NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3288 8.2644 123.5819 52.0615 19.8414 175.8202 2 V 4.3532 7.9919 121.7749 58.5026 34.9083 173.3103 3 Q 4.0812 8.7884 122.5823 56.9163 29.5405 175.9425 4 Q 4.4484 8.4623 119.1134 56.2724 29.8736 174.5444 5 N 4.8773 7.4483 112.2837 52.3206 42.6358 174.0642 6 K 4.0328 8.4172 121.5122 55.0052 31.6365 174.4622 7 P 4.1538 0.0000 0.0000 62.9334 31.4309 176.8981 8 T 3.9189 8.5533 117.7521 62.3973 69.0827 174.2520 9 R 3.9256 8.6589 123.5469 59.5221 29.3017 178.6844 10 S 4.0353 8.1230 113.1946 61.2257 62.3008 175.7192 11 K 3.7889 8.1507 121.3988 59.7570 31.6309 178.0100 12 R 3.9582 7.5413 117.0179 59.6996 30.1530 177.9994 13 G 3.7606 7.9557 104.5417 48.0767 0.0000 175.1437 14 M 4.0155 7.8397 120.9277 58.4735 31.8263 179.0156 15 R 4.0273 7.9643 116.9941 58.7198 30.1922 177.4883 16 R 4.5242 7.7045 117.0891 56.6526 30.4264 178.3823 17 S 4.2353 7.8251 114.8193 62.0584 63.3044 175.1235 18 H 4.2918 8.2702 120.0135 57.8099 28.9568 177.1985 19 D 4.4454 8.2278 116.8053 55.6474 40.7812 176.5373 20 A 4.2170 7.6868 122.4118 51.7800 18.9751 177.3753 21 L 4.3575 8.1133 119.6832 54.4516 42.9338 176.5453 22 T 4.6500 8.0308 114.5239 60.7361 70.5799 174.5817 23 A 4.8198 8.0185 124.6062 52.4876 18.1880 179.2382 24 V 4.4133 7.9963 107.5315 61.5682 34.2958 175.0796 25 T 3.2678 8.8407 108.3136 62.3876 67.2940 172.8125 26 S 4.0831 8.3229 116.2565 58.6797 63.6439 170.3844 27 L 4.8885 7.4343 123.3204 54.7876 39.8091 179.0211 28 S 4.7532 8.1332 107.6095 57.4690 65.9803 173.0908 29 V 4.9802 8.4652 123.5830 59.9394 34.0590 174.5244 30 D 4.5785 8.5513 122.0216 53.8767 41.9717 176.1669 31 K 4.3168 8.4368 119.7337 58.5054 33.3327 178.7365 32 T 4.0934 7.9961 115.3458 65.8951 68.7169 174.2211 33 S 4.7921 7.3785 113.1419 56.2932 65.9823 173.7714 34 G 3.8295 8.2455 109.2285 45.8842 0.0000 173.8442 35 E 3.9986 7.5418 119.2097 55.7248 30.7057 177.2422 36 K 4.7135 8.7638 127.4600 55.6584 31.7021 174.9420 37 H 5.0461 8.8652 122.2076 53.0250 32.0882 173.6119 38 L 4.4430 8.1930 119.5222 53.9325 42.8614 176.2432 39 R 3.9763 8.2361 122.2396 58.0165 30.1066 176.5462 40 H 4.8668 11.0028 118.8370 56.8690 25.7995 174.2187 41 H 3.8446 8.1200 111.0750 55.1369 30.4155 173.7943 42 I 3.3894 6.8840 120.9743 59.2003 37.2294 175.5380 43 T 4.3848 7.9644 113.5252 60.8594 70.6885 174.4086 44 A 4.4484 7.9618 123.2145 53.1962 18.4479 177.9556 45 D 4.7489 8.6979 113.8433 53.8114 43.9098 175.1161 46 G 3.7338 7.9464 111.3966 46.2470 0.0000 172.5845 47 Y 4.8454 8.8763 122.3308 58.8622 40.4106 175.2383 48 Y 5.4311 8.4680 129.4572 59.4818 38.5719 174.7291 49 R 4.3115 8.2753 117.0714 55.6716 31.9394 174.7656 50 G 4.4240 7.7350 104.7181 44.5111 0.0000 173.0161 51 R 3.2932 8.5343 116.7959 58.0532 30.4074 177.2562 52 K 3.8385 8.1537 114.3122 55.8453 32.4841 176.3179 53 V 3.2448 7.9246 110.6080 62.6463 31.5833 173.0948 54 I 3.0279 8.5676 130.2158 60.5014 33.3778 172.8259 55 A 4.0825 8.3063 127.5143 52.6629 19.0897 177.6023 56 K 4.2861 8.5843 118.7657 57.4044 34.2630 174.5207 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 A 8.26 4.33 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 4.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 3 Q 8.79 4.08 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 4 Q 8.46 4.45 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 5 N 7.45 4.88 0.00 2.70 2.64 0.00 0.00 6.95 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 6 K 8.42 4.03 0.00 1.71 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 P 0.00 4.15 0.00 2.07 2.04 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 8 T 8.55 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 9 R 8.66 3.93 0.00 2.07 2.19 0.00 3.04 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 10 S 8.12 4.04 0.00 3.91 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 11 K 8.15 3.79 0.00 1.90 2.00 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.58 7.81 12 R 7.54 3.96 0.00 1.83 2.19 0.00 3.32 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 13 G 7.96 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 0.00 0.00 0.00 14 M 7.84 4.02 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 15 R 7.96 4.03 0.00 1.81 2.13 0.00 3.24 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 16 R 7.70 4.52 0.00 1.96 1.92 0.00 3.22 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 17 S 7.83 4.24 0.00 4.10 4.03 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 0.00 0.00 0.00 0.00 18 H 8.27 4.29 0.00 3.24 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.23 4.45 0.00 2.71 2.74 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 0.00 0.00 0.00 0.00 20 A 7.69 4.22 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.36 0.00 1.65 1.61 0.92 0.81 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 22 T 8.03 4.65 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 23 A 8.02 4.82 1.11 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 0.00 0.00 24 V 8.00 4.41 2.09 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 0.80 0.00 0.00 0.93 0.00 0.00 25 T 8.84 3.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 26 S 8.32 4.08 0.00 4.03 3.95 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 27 L 7.43 4.89 0.00 1.87 0.68 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.13 4.75 0.00 4.01 3.73 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 29 V 8.47 4.98 2.09 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 0.77 0.00 0.00 0.95 0.00 0.00 30 D 8.55 4.58 0.00 2.56 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 31 K 8.44 4.32 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.41 7.81 32 T 8.00 4.09 4.46 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 0.00 0.00 0.00 1.43 0.00 0.00 33 S 7.38 4.79 0.00 3.52 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 34 G 8.25 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.54 4.00 0.00 1.81 1.82 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 2.10 2.44 0.00 36 K 8.76 4.71 0.00 1.77 1.75 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 37 H 8.87 5.05 0.00 3.27 3.42 0.00 5.31 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.19 4.44 0.00 1.55 1.60 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.24 3.98 0.00 1.88 2.00 0.00 3.32 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 40 H 11.00 4.87 0.00 3.15 3.53 0.00 5.98 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.12 3.84 0.00 2.99 2.99 0.00 5.56 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.88 3.39 1.81 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 1.37 0.73 0.93 0.00 0.00 43 T 7.96 4.38 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 1.30 0.00 0.00 44 A 7.96 4.45 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 45 D 8.70 4.75 0.00 2.85 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 46 G 7.95 3.73 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 0.00 0.00 0.00 47 Y 8.88 4.85 0.00 3.01 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.47 5.43 0.00 3.06 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 49 R 8.28 4.31 0.00 1.21 1.58 0.00 2.76 0.00 0.00 2.61 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 50 G 7.73 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.53 3.29 0.00 1.94 1.91 0.00 3.07 0.00 0.00 3.14 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 52 K 8.15 3.84 0.00 1.30 1.48 0.00 1.45 0.00 0.00 0.61 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.81 7.81 53 V 7.92 3.24 2.09 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 0.77 0.00 0.00 1.05 0.00 0.00 54 I 8.57 3.03 1.86 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 1.34 1.20 0.91 0.00 0.00 55 A 8.31 4.08 1.22 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 0.00 0.00 56 K 8.58 4.29 0.00 1.94 1.91 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.48 7.81