NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3473 8.3449 119.6940 55.5700 30.1727 174.8017 4 R 4.3667 8.5249 121.7704 55.8859 31.2777 174.3098 5 I 4.8327 8.5848 123.0191 59.5292 40.9032 175.4012 6 T 4.3918 8.5821 115.9500 61.3660 70.0310 175.1355 7 L 3.8639 8.2846 124.3992 58.2202 42.0176 179.3161 8 K 3.9426 7.8721 118.9972 59.7486 32.2949 178.4229 9 D 4.4008 8.3112 119.1696 57.3005 40.6048 178.1223 10 Y 4.0628 8.4084 120.1379 60.7088 38.7669 177.9819 11 A 4.2878 8.2783 123.0702 55.0004 18.2526 179.5691 12 M 3.9988 7.8782 116.3985 58.2916 32.0235 178.7713 13 R 3.8147 7.4853 117.4252 57.8843 30.4691 177.8640 14 F 4.7117 8.2873 114.6699 55.8323 41.0716 176.8510 15 G 4.1301 7.8702 105.0333 45.7372 0.0000 174.7697 16 Q 4.1204 8.5638 118.8759 58.8106 28.7053 179.3519 17 T 4.1112 7.7928 117.8383 66.1238 68.6991 176.5007 18 K 4.0124 8.1003 121.0255 59.6683 32.1147 178.6369 19 T 4.0898 8.0721 115.6754 66.7622 68.4881 176.2900 20 A 4.1004 8.4002 125.0546 55.7483 18.3923 180.4907 21 K 3.9852 8.2327 122.1448 60.1707 31.6151 180.9479 22 D 4.6155 8.5347 119.5219 56.5516 40.7886 178.0374 23 L 4.3924 7.7997 117.1952 53.6112 42.4251 176.5246 24 G 3.8297 7.7746 106.3869 46.9385 0.0000 173.5044 25 V 4.4093 7.6689 111.0415 59.0552 35.5475 174.9949 26 Y 4.7067 7.2384 118.5585 55.7689 39.5826 176.6496 27 Q 4.0208 8.8911 119.5271 59.3846 28.7741 179.0187 28 S 4.2228 8.5271 113.2744 61.6739 62.3161 176.0663 29 A 3.9322 7.5911 123.2329 54.9058 17.9813 179.6884 30 I 3.6243 7.5812 117.9282 64.6776 37.2280 178.0157 31 N 4.3396 8.0813 117.6456 56.4543 38.7463 176.8682 32 K 3.9312 8.1173 120.9426 59.2871 32.3682 178.5491 33 A 3.9702 7.9727 121.1402 55.2924 18.2109 179.7576 34 I 3.5400 7.7394 118.0879 64.6913 36.9925 177.8578 35 H 4.0544 8.1297 117.7483 59.4582 29.7769 176.5622 36 A 4.0907 8.4328 119.6611 51.9438 18.5264 177.1270 37 G 3.8011 8.1737 105.6580 46.3706 0.0000 174.6221 38 R 3.9952 7.4931 116.6653 55.8390 31.3642 178.1760 39 K 4.0171 8.4022 121.6701 55.0056 32.4177 174.3645 40 I 4.4948 7.0437 124.5115 58.9337 40.5751 174.3275 41 F 5.2811 8.8863 124.8228 55.6186 42.7301 173.9410 42 L 5.2017 9.3040 122.7980 53.2271 45.0298 175.4770 43 T 4.9086 8.9900 118.9511 61.9202 71.6531 172.9913 44 I 4.5857 8.5423 127.2890 60.2176 38.5740 175.4327 45 N 4.7993 8.9963 124.2904 51.6834 39.9574 176.3016 46 A 4.1769 8.4838 123.2520 54.8484 18.5806 178.2709 47 D 4.5716 8.0586 113.5310 53.4687 39.8267 177.2950 48 G 3.9676 8.4997 110.2386 45.4712 0.0000 174.3814 49 S 4.4529 8.6899 114.8217 57.8486 64.0511 172.9408 50 V 4.8423 8.0447 120.2431 61.2603 34.2345 173.7016 51 Y 4.9041 9.1242 128.4498 55.7427 41.2770 174.0351 52 A 5.1773 8.0778 127.3533 49.9474 22.6510 174.4693 53 E 4.9514 8.8981 117.8405 54.4723 33.6000 173.9706 54 E 5.0097 9.9632 123.0310 54.4725 32.9838 174.5246 55 V 4.8206 8.4879 126.3452 61.1779 33.1906 175.1854 56 K 4.4160 10.1574 129.0054 56.2581 35.6853 175.4112 56A D 4.3039 9.7049 126.2562 55.5499 37.9846 175.0813 56B G 4.0297 8.1033 104.5073 45.8496 0.0000 172.7048 56C E 4.8267 8.3176 119.5270 54.5441 32.8463 175.6620 56D V 4.7495 8.3382 121.4884 60.3813 32.4268 174.8997 56E K 4.9429 9.0405 125.1244 53.2776 36.4530 174.3282 57 P 4.4406 0.0000 0.0000 63.0482 32.1530 175.3744 58 F 5.0060 8.4116 123.5066 55.6479 42.0374 173.0903 59 P 3.1358 0.0000 0.0000 61.9550 32.1377 176.7292 60 S 4.1888 8.4191 113.9837 59.3895 63.5920 173.7642 61 N 3.7949 7.8718 122.9615 53.6518 39.1336 173.6788 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 Q 8.34 4.35 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 4 R 8.52 4.37 0.00 1.79 2.00 0.00 3.01 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 5 I 8.58 4.83 2.12 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 1.42 0.82 1.14 0.00 0.00 6 T 8.58 4.39 4.14 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 1.40 0.00 0.00 7 L 8.28 3.86 0.00 1.52 1.48 0.85 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.87 3.94 0.00 1.82 1.76 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.52 7.81 9 D 8.31 4.40 0.00 2.81 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 10 Y 8.41 4.06 0.00 3.22 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.29 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.88 4.00 0.00 1.97 2.32 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 2.63 2.55 0.00 13 R 7.49 3.81 0.00 1.11 0.86 0.00 3.14 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 14 F 8.29 4.71 0.00 2.82 2.92 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 15 G 7.87 4.13 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 0.00 0.00 0.00 16 Q 8.56 4.12 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 17 T 7.79 4.11 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 1.25 0.00 0.00 18 K 8.10 4.01 0.00 1.88 2.05 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.50 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.67 1.55 7.81 19 T 8.07 4.09 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 20 A 8.40 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.99 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 22 D 8.53 4.62 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.80 4.39 0.00 1.64 1.68 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.77 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 25 V 7.67 4.41 1.77 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 0.52 0.00 0.00 0.88 0.00 0.00 26 Y 7.24 4.71 0.00 3.20 3.08 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 0.00 0.00 0.00 0.00 27 Q 8.89 4.02 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 28 S 8.53 4.22 0.00 4.03 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 29 A 7.59 3.93 0.74 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 0.00 0.00 30 I 7.58 3.62 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.94 0.00 0.00 31 N 8.08 4.34 0.00 2.81 2.95 0.00 0.00 6.93 7.07 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 32 K 8.12 3.93 0.00 2.04 1.94 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 33 A 7.97 3.97 1.29 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 0.00 0.00 0.00 34 I 7.74 3.54 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 1.34 0.63 0.89 0.00 0.00 35 H 8.13 4.05 0.00 3.15 3.55 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.43 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 3.80 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 0.00 0.00 0.00 38 R 7.49 4.00 0.00 1.50 1.90 0.00 3.13 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 39 K 8.40 4.02 0.00 1.88 1.85 0.00 1.61 0.00 0.00 1.88 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.39 7.81 40 I 7.04 4.49 1.33 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.40 0.27 0.00 0.00 41 F 8.89 5.28 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 9.30 5.20 0.00 1.62 1.34 0.75 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.99 4.91 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 44 I 8.54 4.59 1.97 0.00 0.00 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 1.52 0.71 0.95 0.00 0.00 45 N 9.00 4.80 0.00 3.01 2.73 0.00 0.00 6.52 7.99 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 46 A 8.48 4.18 1.29 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 0.00 0.00 0.00 47 D 8.06 4.57 0.00 2.78 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 48 G 8.50 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 0.00 0.00 0.00 49 S 8.69 4.45 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.04 4.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.90 0.00 0.00 51 Y 9.12 4.90 0.00 3.04 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 52 A 8.08 5.18 1.20 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 0.00 0.00 0.00 53 E 8.90 4.95 0.00 2.09 1.75 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 2.22 2.35 0.00 54 E 9.96 5.01 0.00 1.85 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 2.16 2.24 0.00 55 V 8.49 4.82 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.10 0.00 0.00 56 K 10.16 4.42 0.00 1.79 1.59 0.00 2.00 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.41 7.81 56A D 9.70 4.30 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56B G 8.10 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 0.00 0.00 0.00 56C E 8.32 4.83 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 56D V 8.34 4.75 2.12 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 0.78 0.00 0.00 1.01 0.00 0.00 56E K 9.04 4.94 0.00 1.67 1.72 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.52 7.81 57 P 0.00 4.44 0.00 2.06 2.11 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 58 F 8.41 5.01 0.00 2.93 2.83 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 59 P 0.00 3.14 0.00 1.81 1.17 0.00 3.52 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 60 S 8.42 4.19 0.00 3.99 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 61 N 7.87 3.79 0.00 2.77 2.75 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00