NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5135 8.1633 118.3255 55.2996 33.6250 173.2610 2 Q 5.5114 8.4784 115.8203 51.3544 32.5126 173.4873 3 I 4.5640 8.7629 116.3694 59.0451 42.3378 173.3262 4 F 5.4345 9.2896 121.1329 55.7224 41.9204 175.0500 5 V 4.7134 8.6637 122.3097 60.9883 34.2954 174.1503 6 K 4.8238 9.0699 131.0272 55.4281 33.3019 176.7672 7 T 4.4578 9.1035 119.0329 60.6119 69.9032 175.3075 8 L 4.0307 8.3689 123.0686 58.1679 42.0761 177.3886 9 T 4.1929 7.4251 106.1799 61.6330 68.7888 175.5925 10 G 3.9034 8.0736 111.0275 45.0233 0.0000 173.7267 11 K 4.1319 7.4719 123.2195 56.5935 33.3157 175.6225 12 T 4.9913 8.5362 124.7314 62.4044 69.6816 174.1547 13 I 4.7444 8.9231 120.4984 59.3094 41.1049 174.3378 14 T 5.1663 8.4287 112.0598 60.0027 71.3061 173.5470 15 L 4.7654 8.6589 122.6556 52.9569 46.1261 175.5014 16 E 4.7936 8.7528 123.7785 55.3972 29.7439 175.3761 17 V 4.7596 8.4978 119.5564 59.6937 36.0819 174.9638 18 E 4.7795 9.3419 121.4870 53.9564 32.2049 175.9574 19 P 4.2341 0.0000 0.0000 64.8246 31.5733 177.8990 20 S 4.7073 7.7682 110.8651 57.8498 63.8872 174.0526 21 D 4.4871 8.0414 123.1926 54.6013 41.3413 175.9818 22 T 4.6984 8.2019 113.4946 61.0818 71.4947 175.7478 23 I 3.6488 8.5827 124.1896 64.8603 37.1399 178.3564 24 E 3.9092 8.1437 119.4736 59.3414 29.5293 178.3123 25 N 4.2375 7.9774 116.2776 56.5902 38.6381 177.4018 26 V 3.5685 7.8314 119.2090 66.0645 31.6402 178.1411 27 K 4.2272 8.4817 119.2747 58.9162 31.8983 179.1943 28 A 4.0402 7.9747 121.0822 54.8404 18.2674 179.8529 29 K 3.9143 8.0386 117.1829 59.7946 32.0643 179.6630 30 I 3.7468 7.9426 120.1072 64.2997 36.9407 178.3104 31 Q 4.2683 8.0674 121.9150 58.7676 28.6362 178.0076 32 D 4.3862 7.8049 119.1494 56.6765 40.9151 178.1413 33 K 4.1935 8.0370 119.3029 58.3096 32.5715 177.6793 34 E 4.6194 8.4016 116.1129 55.0843 30.4137 177.6297 35 G 3.8651 8.0795 107.0975 45.5268 0.0000 173.8936 36 I 3.9881 7.1496 121.9097 59.8587 37.8946 173.9078 37 P 4.4512 0.0000 0.0000 61.5841 32.0394 175.6499 38 P 4.2922 0.0000 0.0000 65.7904 31.2659 178.1756 39 D 4.3419 8.1163 117.2184 55.7096 39.4159 177.0219 40 Q 4.2926 8.0271 117.7405 56.5793 29.5191 175.0499 41 Q 4.5443 8.0613 118.9475 55.3153 30.4808 175.2949 42 R 4.7611 8.9388 123.1109 54.2084 32.5521 174.4896 43 L 4.7979 8.2714 124.4090 54.4382 43.3700 176.2341 44 I 5.1716 8.7780 123.1355 59.7336 41.8706 174.2539 45 F 4.9563 9.1815 127.3685 57.3426 42.9383 174.0590 46 A 3.2429 8.7713 129.4265 53.2503 15.6732 177.1075 47 G 3.9080 7.9580 104.7612 45.5904 0.0000 172.8179 48 K 4.5420 7.7612 119.0833 53.9909 34.9153 175.0652 49 Q 4.6241 8.6229 124.9864 55.6419 29.3739 175.5929 50 L 3.9521 8.8577 127.7595 54.7578 42.8392 176.1140 51 E 4.5566 9.3739 123.9258 54.7350 31.2703 176.5251 52 D 4.4393 9.1213 126.7717 57.6142 41.1155 178.9940 53 G 3.7134 7.9757 105.8530 47.4838 0.0000 173.9840 54 R 4.2309 7.8748 119.3408 55.9001 30.7361 175.6693 55 T 4.9800 8.4523 109.9319 59.7827 71.1239 175.9103 56 L 3.9003 8.3988 121.9556 57.9326 42.0655 180.3079 57 S 4.1166 8.4693 113.5307 61.3528 63.0325 176.1061 58 D 4.5135 7.7439 119.6231 56.6707 40.5525 176.9167 59 Y 4.5491 7.3225 113.6089 56.8689 38.4430 175.0371 60 N 4.1450 8.3572 116.6475 54.1861 36.7143 174.9792 61 I 3.6691 7.8702 119.2371 60.8211 37.3671 176.4602 62 Q 4.4444 8.3094 125.2240 53.3301 30.6692 174.9664 63 K 3.8783 8.4486 119.2798 58.6490 32.2046 175.4619 64 E 3.6333 9.3738 123.4377 57.2967 27.9387 175.0417 65 S 4.5652 7.8981 114.7748 59.0510 64.3096 173.4526 66 T 5.1606 8.7235 118.8092 62.1364 70.3633 173.8758 67 L 4.9287 9.4563 127.3706 54.1310 44.2235 175.3477 68 H 5.2435 9.3394 118.9000 54.1002 31.3714 173.4382 69 L 4.9927 8.8616 125.7148 53.5492 43.2635 175.5738 70 V 4.5446 8.6139 126.3792 61.1516 34.4889 174.2040 71 L 5.2002 8.3367 124.6845 52.9082 44.4754 175.9134 72 R 4.2373 8.8314 123.5377 55.6360 30.7252 175.7576 73 L 4.5667 8.5786 126.9688 53.2636 42.8295 176.2094 74 R 4.5880 8.1796 122.6194 54.2900 32.4341 176.8996 75 G 3.7773 8.2932 107.1998 46.7571 0.0000 173.1856 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 8.16 4.51 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 2 Q 8.48 5.51 0.00 1.87 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 3 I 8.76 4.56 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.78 0.00 0.00 4 F 9.29 5.43 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 5 V 8.66 4.71 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 1.04 0.00 0.00 0.93 0.00 0.00 6 K 9.07 4.82 0.00 1.76 1.48 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.34 7.81 7 T 9.10 4.46 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 1.25 0.00 0.00 8 L 8.37 4.03 0.00 1.73 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.43 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 8.07 3.90 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 0.00 0.00 0.00 11 K 7.47 4.13 0.00 2.04 1.70 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.54 4.99 4.20 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 1.18 0.00 0.00 13 I 8.92 4.74 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 1.50 0.98 0.93 0.00 0.00 14 T 8.43 5.17 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 1.42 0.00 0.00 15 L 8.66 4.77 0.00 1.47 1.48 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.75 4.79 0.00 1.92 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 2.21 2.35 0.00 17 V 8.50 4.76 2.03 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.34 4.78 0.00 1.79 1.80 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 2.20 2.38 0.00 19 P 0.00 4.23 0.00 2.16 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.77 4.71 0.00 3.96 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 21 D 8.04 4.49 0.00 2.84 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 8.20 4.70 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 1.26 0.00 0.00 23 I 8.58 3.65 2.18 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 1.75 0.96 0.90 0.00 0.00 24 E 8.14 3.91 0.00 2.20 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 2.31 2.36 0.00 25 N 7.98 4.24 0.00 3.12 2.86 0.00 0.00 6.71 7.24 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 26 V 7.83 3.57 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 1.00 0.00 0.00 0.95 0.00 0.00 27 K 8.48 4.23 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.54 7.81 28 A 7.97 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.91 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.60 7.81 30 I 7.94 3.75 2.14 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 1.40 0.81 0.91 0.00 0.00 31 Q 8.07 4.27 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 32 D 7.80 4.39 0.00 2.87 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 33 K 8.04 4.19 0.00 1.75 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 E 8.40 4.62 0.00 2.09 1.91 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 2.22 2.43 0.00 35 G 8.08 3.87 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 0.00 36 I 7.15 3.99 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 1.30 1.07 0.91 0.00 0.00 37 P 0.00 4.45 0.00 2.17 1.97 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 38 P 0.00 4.29 0.00 2.21 2.32 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 39 D 8.12 4.34 0.00 2.79 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 40 Q 8.03 4.29 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 41 Q 8.06 4.54 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 42 R 8.94 4.76 0.00 1.82 1.84 0.00 3.12 0.00 0.00 3.17 7.11 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 8.27 4.80 0.00 1.57 1.54 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.78 5.17 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 1.11 0.85 0.95 0.00 0.00 45 F 9.18 4.96 0.00 2.99 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 46 A 8.77 3.24 0.89 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 0.00 0.00 0.00 0.00 0.00 47 G 7.96 3.91 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 0.00 0.00 0.00 48 K 7.76 4.54 0.00 2.00 1.74 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.36 7.81 49 Q 8.62 4.62 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.86 3.95 0.00 1.37 1.19 0.67 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.37 4.56 0.00 2.19 1.98 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 2.29 2.38 0.00 52 D 9.12 4.44 0.00 2.84 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 53 G 7.98 3.71 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 0.00 0.00 0.00 54 R 7.87 4.23 0.00 2.27 1.82 0.00 2.46 0.00 0.00 2.85 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 55 T 8.45 4.98 4.49 0.00 0.00 0.00 0.00 0.00 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 56 L 8.40 3.90 0.00 1.88 1.70 0.90 0.86 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 57 S 8.47 4.12 0.00 3.99 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 58 D 7.74 4.51 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.32 4.55 0.00 3.03 2.98 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 60 N 8.36 4.15 0.00 2.91 2.97 0.00 0.00 6.94 7.37 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 61 I 7.87 3.67 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.04 0.59 0.00 0.00 62 Q 8.31 4.44 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 63 K 8.45 3.88 0.00 1.68 1.74 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.44 7.81 64 E 9.37 3.63 0.00 2.20 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 2.24 2.24 0.00 65 S 7.90 4.57 0.00 3.74 3.75 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 66 T 8.72 5.16 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 9.46 4.93 0.00 1.63 1.61 0.72 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.34 5.24 0.00 3.03 3.22 0.00 5.58 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 8.86 4.99 0.00 1.59 1.68 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.61 4.54 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 1.00 0.00 0.00 0.95 0.00 0.00 71 L 8.34 5.20 0.00 1.54 1.54 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.83 4.24 0.00 1.79 1.84 0.00 3.22 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 73 L 8.58 4.57 0.00 1.65 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.18 4.59 0.00 1.78 1.84 0.00 3.30 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 75 G 8.29 3.78 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 0.00 0.00 0.00