NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5870 8.1476 118.3251 55.3528 33.6227 173.4406 2 Q 4.6422 8.2328 116.5454 52.5554 31.7755 172.8794 3 I 4.4427 9.0967 115.4286 59.1134 42.2657 174.9154 4 F 5.5036 8.8535 120.3342 55.6782 42.9291 175.1149 5 V 4.7903 9.3087 121.0443 61.3777 34.2585 174.3106 6 K 5.0341 9.0603 128.6967 55.3086 34.2249 176.5430 7 T 4.8968 8.0516 114.1384 59.9889 70.7315 174.6336 8 L 4.1782 8.4521 120.4716 57.5982 41.8665 178.9897 9 T 4.1882 7.4473 105.5947 61.9658 68.6783 173.9333 10 G 4.1735 7.9454 111.5722 45.6156 0.0000 174.9469 11 K 4.0041 7.8256 117.6920 57.4347 32.9599 175.3016 12 T 5.0562 8.2967 116.8384 61.9283 71.3813 173.2217 13 I 4.6112 8.9994 127.4242 59.7487 39.5882 174.5368 14 T 5.1353 8.6165 117.2139 60.1311 70.7105 173.9290 15 L 4.8448 8.6015 123.9978 52.9640 46.2686 175.1551 16 E 4.7386 8.7147 122.0027 55.7073 30.5956 175.8735 17 V 4.6335 9.3826 117.9758 60.3065 36.3396 174.1291 18 E 4.7727 9.3174 119.6057 54.3479 33.3612 175.4452 19 P 3.6955 0.0000 0.0000 65.6621 31.1479 177.7758 20 S 4.4147 7.8664 111.1456 59.1044 63.9531 174.2020 21 D 4.4711 8.6748 123.8015 54.4778 41.3243 176.0849 22 T 4.7372 8.1286 113.0506 61.0128 71.5368 176.0670 23 I 3.7545 8.3643 123.0335 64.4293 37.0609 178.6489 24 E 3.9677 8.1852 118.1062 59.4434 29.3338 178.8063 25 N 4.2864 8.0015 117.2031 56.2192 38.6658 177.4726 26 V 3.5923 7.7122 119.5267 65.9940 31.5492 178.2531 27 K 4.3526 8.5252 119.4362 58.6933 31.7599 179.2342 28 A 4.0195 7.9878 121.4166 54.8833 18.1477 179.8481 29 K 3.9484 7.9827 117.1672 59.7002 32.0389 179.7039 30 I 3.7400 7.9091 120.1539 64.1122 36.9318 178.2233 31 Q 4.2112 8.0889 121.9010 58.7591 28.8080 177.7477 32 D 4.4973 8.3179 116.6328 55.6940 41.2763 177.0752 33 K 4.2501 7.4737 119.0056 58.5891 32.9631 176.6228 34 E 4.4200 9.0554 116.2444 55.7494 31.2277 177.2098 35 G 3.9406 8.7571 106.8605 44.9890 0.0000 173.3987 36 I 3.9540 7.4360 121.5482 59.8345 37.8723 173.7068 37 P 4.5376 0.0000 0.0000 61.9680 32.0421 175.2602 38 P 4.2350 0.0000 0.0000 65.8617 31.3312 177.9134 39 D 4.5569 8.0475 114.7776 55.0866 39.6420 176.6250 40 Q 4.6009 8.1704 118.5335 55.8954 29.7569 175.2127 41 Q 4.5193 7.7905 118.5316 55.4272 30.4660 175.3374 42 R 4.6854 8.8981 122.2062 54.5599 33.1517 174.4755 43 L 5.1739 8.4348 124.2215 53.4278 44.1980 175.9240 44 I 5.1325 8.6907 122.4522 59.7057 41.8341 174.2094 45 F 5.0666 8.8870 127.2122 57.1658 43.1290 174.1899 46 A 3.6894 8.9044 127.9123 53.2198 15.9207 177.5459 47 G 3.9208 8.6688 104.4436 46.7349 0.0000 174.0481 48 K 4.6136 7.7300 117.0387 54.4842 35.6948 175.0694 49 Q 4.6179 8.5120 122.4969 56.1226 29.6874 175.1882 50 L 4.1028 8.5279 127.2925 54.2396 42.6780 176.2531 51 E 4.5317 9.7198 123.7056 55.2464 31.0261 176.3531 52 D 4.5272 8.6742 123.6890 55.4107 41.5613 176.5613 53 G 4.0457 8.9491 109.4877 45.2872 0.0000 173.9314 54 R 4.5809 7.5468 118.7380 54.7501 31.9659 175.9832 55 T 4.8620 8.5994 111.5385 59.9956 70.8740 175.9604 56 L 4.0666 8.3574 122.0068 57.8558 42.0015 180.3222 57 S 4.1184 8.2447 113.5844 61.2660 63.0678 176.1168 58 D 4.3928 7.5625 120.0146 56.4370 40.5290 176.6902 59 Y 4.7432 7.6254 114.0673 56.9830 38.5406 174.9547 60 N 4.1957 8.3463 116.2779 54.2618 36.6866 174.4322 61 I 3.6535 7.8152 119.7516 60.6444 37.3751 175.7666 62 Q 4.6278 8.1217 126.2800 53.5804 31.3175 174.9411 63 K 4.1933 8.2080 117.5389 58.6820 33.0401 177.0662 64 E 3.9906 8.6278 119.9677 56.6237 28.0153 175.0457 65 S 4.6192 7.6390 115.2211 58.8983 64.3839 173.2697 66 T 5.1991 8.6763 117.9077 62.1065 71.1273 173.7481 67 L 5.0522 9.1309 126.6072 53.7253 44.8677 175.0343 68 H 5.3475 9.2203 117.4142 53.9805 32.1783 172.7530 69 L 5.3233 9.0476 124.7095 53.2562 44.2706 175.9483 70 V 4.6162 8.7281 124.6322 60.0226 35.0208 174.2577 71 L 5.3363 8.5743 122.3770 53.2141 43.9207 176.1371 72 R 4.4389 8.8230 118.5751 53.7088 31.9181 176.3263 73 L 4.5492 8.2009 128.1855 53.8566 40.2881 177.1632 74 R 4.1652 7.3593 122.0360 56.5236 30.3663 174.2741 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 M 8.15 4.59 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 2 Q 8.23 4.64 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 3 I 9.10 4.44 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.77 0.77 0.00 0.00 4 F 8.85 5.50 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.31 4.79 2.11 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 0.80 0.00 0.00 0.93 0.00 0.00 6 K 9.06 5.03 0.00 1.44 1.63 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.44 7.81 7 T 8.05 4.90 4.25 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 0.00 0.00 1.22 0.00 0.00 8 L 8.45 4.18 0.00 1.79 1.76 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.45 4.19 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 10 G 7.95 4.17 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 0.00 0.00 0.00 11 K 7.83 4.00 0.00 1.95 1.97 0.00 1.45 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.48 7.81 12 T 8.30 5.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 13 I 9.00 4.61 1.90 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 1.42 0.89 0.93 0.00 0.00 14 T 8.62 5.14 4.43 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 1.43 0.00 0.00 15 L 8.60 4.84 0.00 1.50 1.49 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.74 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 17 V 9.38 4.63 2.14 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 0.61 0.00 0.00 0.84 0.00 0.00 18 E 9.32 4.77 0.00 1.98 1.74 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 2.20 2.26 0.00 19 P 0.00 3.70 0.00 2.19 2.31 0.00 3.66 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 2.06 1.96 0.00 20 S 7.87 4.41 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.67 4.47 0.00 2.74 2.61 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 0.00 0.00 0.00 0.00 22 T 8.13 4.74 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 1.21 0.00 0.00 23 I 8.36 3.75 2.03 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 1.97 1.02 0.91 0.00 0.00 24 E 8.19 3.97 0.00 2.19 2.22 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 2.37 2.41 0.00 25 N 8.00 4.29 0.00 2.99 2.90 0.00 0.00 6.61 7.52 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 26 V 7.71 3.59 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 1.00 0.00 0.00 0.95 0.00 0.00 27 K 8.53 4.35 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.46 7.81 28 A 7.99 4.02 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 29 K 7.98 3.95 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 7.91 3.74 2.14 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 1.11 0.91 0.00 0.00 31 Q 8.09 4.21 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 32 D 8.32 4.50 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.25 0.00 1.99 1.93 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.25 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.51 7.81 34 E 9.06 4.42 0.00 1.92 1.95 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 2.24 2.36 0.00 35 G 8.76 3.94 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 0.00 0.00 0.00 36 I 7.44 3.95 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 1.42 1.01 0.91 0.00 0.00 37 P 0.00 4.54 0.00 2.17 1.98 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.24 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.05 4.56 0.00 2.77 2.80 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 40 Q 8.17 4.60 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 41 Q 7.79 4.52 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 42 R 8.90 4.69 0.00 1.93 1.82 0.00 3.39 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.43 5.17 0.00 1.56 1.53 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.69 5.13 1.91 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 1.11 0.86 0.97 0.00 0.00 45 F 8.89 5.07 0.00 2.97 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 46 A 8.90 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.67 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 48 K 7.73 4.61 0.00 1.93 1.86 0.00 1.48 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.46 7.81 49 Q 8.51 4.62 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.53 4.10 0.00 1.40 1.20 0.69 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.72 4.53 0.00 2.02 1.93 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 2.37 2.45 0.00 52 D 8.67 4.53 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 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 54 R 7.55 4.58 0.00 1.97 1.61 0.00 3.42 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 55 T 8.60 4.86 4.48 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 1.23 0.00 0.00 56 L 8.36 4.07 0.00 1.87 1.69 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.24 4.12 0.00 4.00 4.10 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 0.00 0.00 0.00 58 D 7.56 4.39 0.00 2.49 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 4.74 0.00 3.05 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 60 N 8.35 4.20 0.00 3.00 3.03 0.00 0.00 6.91 7.13 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 61 I 7.82 3.65 1.75 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.18 0.52 0.00 0.00 62 Q 8.12 4.63 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 63 K 8.21 4.19 0.00 1.81 1.77 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 64 E 8.63 3.99 0.00 2.23 2.31 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 2.35 2.63 0.00 65 S 7.64 4.62 0.00 3.79 3.74 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 66 T 8.68 5.20 4.39 0.00 0.00 0.00 0.00 0.00 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 67 L 9.13 5.05 0.00 1.63 1.60 0.77 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.22 5.35 0.00 3.10 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.05 5.32 0.00 1.56 1.53 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.73 4.62 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 0.75 0.00 0.00 0.94 0.00 0.00 71 L 8.57 5.34 0.00 1.54 1.62 0.92 0.84 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 72 R 8.82 4.44 0.00 1.81 2.01 0.00 2.77 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 73 L 8.20 4.55 0.00 1.66 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.36 4.17 0.00 1.68 1.71 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00