NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 M 4.4035 8.3049 118.1957 55.8005 32.5313 174.0441 -6 H 3.8653 8.9008 113.1021 55.4282 26.2927 173.8431 -5 H 4.0127 8.5784 118.6881 57.1893 30.9958 173.2363 -4 H 4.5843 8.2183 125.2794 55.0967 32.5112 171.9355 -3 H 4.4355 8.5076 124.5365 54.4859 28.7881 174.2992 -2 H 4.6262 8.3530 124.8294 55.8105 30.7197 174.2007 -1 H 4.7037 8.8728 122.0424 53.6756 32.1452 174.3859 0 A 3.9418 8.8602 127.4052 55.3744 18.2620 177.8214 1 M 4.4439 7.8810 112.6435 55.1580 32.3088 176.0556 2 E 4.2115 8.2848 119.3070 56.5320 31.0863 175.9437 3 E 4.9635 8.8148 121.1354 55.0076 32.5582 175.1828 4 V 4.7615 9.2139 117.5885 59.7461 36.5838 174.6837 5 T 5.1094 8.6281 117.1181 62.0904 71.4213 173.7907 6 I 4.5471 8.9361 127.8744 59.6010 39.5674 175.0106 7 K 4.5511 9.1703 127.9933 55.5079 33.2658 176.1398 8 A 4.9465 9.0459 129.3821 50.5693 20.5412 175.9347 9 N 4.9096 9.0130 121.5381 52.9821 39.4904 174.6048 10 L 4.8310 9.0656 125.6895 54.0685 43.4781 176.2523 11 I 4.7519 8.7188 124.5450 59.5896 40.2690 174.9741 12 F 5.1454 8.9939 125.7177 55.6571 40.9232 176.9862 13 A 4.0310 8.2671 121.4360 55.5725 18.2256 178.6487 14 N 4.6491 8.2761 110.2167 53.1035 37.4353 176.1322 15 G 4.0356 8.4172 108.5118 45.4081 0.0000 174.3857 16 S 4.6839 7.8331 114.6188 58.5933 64.5753 173.1529 17 T 5.3920 8.2046 110.0307 60.6996 72.4593 172.8221 18 Q 4.5743 8.8923 120.6539 55.7667 33.2497 172.6460 19 T 5.1027 8.7543 123.2565 62.0382 70.2619 173.7050 20 A 4.6297 9.0980 128.6836 50.0523 21.7774 174.5736 21 E 4.9104 8.4612 121.9163 54.8351 31.6103 175.4474 22 F 4.5813 9.0963 122.8465 55.5518 41.5903 174.5842 23 K 5.4665 9.5233 122.6646 53.3819 34.7807 177.5763 24 G 3.7577 8.2863 109.4020 45.5293 0.0000 172.2757 25 T 4.6460 7.9134 113.6590 60.7046 71.1654 174.9734 26 F 3.9587 9.3358 124.0386 61.6069 39.4164 177.3554 27 E 3.8923 8.2395 117.5381 59.4238 29.3153 179.3988 28 K 3.9862 8.2822 118.3709 59.2438 32.1596 179.3607 29 A 3.9602 8.2274 121.4307 55.2911 18.3053 179.8347 30 T 3.2928 7.3449 113.7560 66.7309 68.4911 176.9976 31 S 4.2002 7.7556 116.8155 61.8012 62.8538 176.7640 32 E 3.9267 8.3541 121.1464 59.0168 29.1395 179.2753 33 A 2.0000 7.1820 120.8583 54.6639 18.2871 179.3737 34 Y 3.8116 7.1215 114.4548 60.8667 37.6371 178.4618 35 A 4.0809 7.7979 121.2382 55.2552 18.7621 178.7632 36 Y 4.2045 8.1116 117.9345 60.7293 38.9661 177.8431 37 A 4.0154 7.8872 121.7524 55.3135 18.1937 179.3003 38 D 4.7168 8.3426 117.6199 57.8362 40.7064 179.0860 39 T 4.0073 7.5360 108.6645 63.9616 69.0978 175.7438 40 L 4.2147 7.5600 120.6230 55.2358 41.8863 178.4141 41 K 4.6722 7.8315 121.9757 58.8452 31.9313 178.2795 42 K 3.8838 8.1045 118.9338 59.4858 32.1754 177.1116 43 D 4.5883 8.0191 116.0656 55.5377 41.4371 176.6969 44 N 4.7977 8.7029 114.4915 52.4389 39.8293 175.2481 45 G 4.4561 8.5619 105.2990 44.3204 0.0000 172.6517 46 E 4.4359 8.5429 116.4682 56.1557 30.6241 175.9775 47 W 5.1309 8.1534 117.8309 55.1143 31.1653 174.9431 48 T 4.7997 8.7310 117.0983 61.7953 71.9882 173.2346 49 V 5.0232 8.7231 124.9968 60.0483 34.2958 174.6844 50 D 4.9312 8.9905 123.0696 52.5799 43.6865 175.2422 51 V 4.6077 8.5764 123.7156 62.4239 32.9621 174.5666 52 A 4.7227 8.8360 127.6257 49.9424 23.8757 174.9878 53 D 4.3243 9.5509 115.2282 55.8195 38.3911 175.4783 54 G 3.7910 9.2706 101.7295 46.6285 0.0000 175.0535 55 G 4.1287 8.3359 107.6214 45.2832 0.0000 174.8049 56 Y 4.2332 8.2513 116.5454 59.3170 38.5491 174.8863 57 T 5.0643 7.8528 116.9514 61.5370 72.4162 172.6813 58 L 4.8063 9.1221 126.5767 53.0732 44.6841 175.7920 59 N 5.0265 9.0498 123.5890 52.3217 39.5277 174.4464 60 I 4.7057 8.4356 126.2263 59.4190 39.4014 174.7870 61 K 4.9321 8.8753 129.5283 54.6461 33.5828 174.6944 62 F 5.3143 9.1421 126.1576 55.9346 40.5041 176.7969 63 A 4.0966 9.1638 125.8424 53.0099 18.9728 177.8349 64 G 4.0766 8.4077 109.3953 45.8404 0.0000 173.3467 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 -7 M 8.30 4.40 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.49 0.00 -6 H 8.90 3.87 0.00 3.35 3.33 0.00 5.75 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 H 8.58 4.01 0.00 3.07 3.28 0.00 5.91 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.22 4.58 0.00 2.92 3.00 0.00 5.96 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.51 4.44 0.00 3.15 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.35 4.63 0.00 3.07 3.17 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.87 4.70 0.00 3.21 3.11 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.86 3.94 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 1 M 7.88 4.44 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 2 E 8.28 4.21 0.00 2.13 2.21 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 2.44 2.42 0.00 3 E 8.81 4.96 0.00 1.85 1.92 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 2.39 2.26 0.00 4 V 9.21 4.76 2.53 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 1.17 0.00 0.00 1.15 0.00 0.00 5 T 8.63 5.11 4.31 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 1.24 0.00 0.00 6 I 8.94 4.55 1.83 0.00 0.00 0.40 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 0.62 0.70 0.00 0.00 7 K 9.17 4.55 0.00 1.74 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 A 9.05 4.95 1.37 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 0.00 0.00 0.00 9 N 9.01 4.91 0.00 2.80 2.81 0.00 0.00 6.69 6.98 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 10 L 9.07 4.83 0.00 1.66 1.35 1.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.72 4.75 1.84 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 1.23 0.77 0.94 0.00 0.00 12 F 8.99 5.15 0.00 3.04 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 13 A 8.27 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.65 0.00 2.88 2.96 0.00 0.00 6.18 7.00 0.00 0.00 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 8.42 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.68 0.00 3.99 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 17 T 8.20 5.39 4.31 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 1.27 0.00 0.00 18 Q 8.89 4.57 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 19 T 8.75 5.10 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 1.28 0.00 0.00 20 A 9.10 4.63 1.05 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 21 E 8.46 4.91 0.00 1.71 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 2.22 2.26 0.00 22 F 9.10 4.58 0.00 2.90 2.87 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 23 K 9.52 5.47 0.00 1.59 1.70 0.00 1.83 0.00 0.00 2.35 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.20 7.81 24 G 8.29 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 25 T 7.91 4.65 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 F 9.34 3.96 0.00 3.10 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 27 E 8.24 3.89 0.00 2.13 1.99 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 2.42 2.56 0.00 28 K 8.28 3.99 0.00 1.86 1.85 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 29 A 8.23 3.96 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 30 T 7.34 3.29 4.09 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 1.01 0.00 0.00 31 S 7.76 4.20 0.00 4.02 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 32 E 8.35 3.93 0.00 2.15 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 0.00 2.36 2.44 0.00 33 A 7.18 2.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.12 3.81 0.00 3.12 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 35 A 7.80 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.11 4.20 0.00 3.24 3.14 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 0.00 37 A 7.89 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.34 4.72 0.00 3.05 2.87 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 39 T 7.54 4.01 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 1.34 0.00 0.00 40 L 7.56 4.21 0.00 1.68 1.36 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.83 4.67 0.00 2.08 2.04 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.58 7.81 42 K 8.10 3.88 0.00 1.78 1.85 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 43 D 8.02 4.59 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.70 4.80 0.00 2.72 2.92 0.00 0.00 6.98 7.20 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 45 G 8.56 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 0.00 0.00 0.00 0.00 46 E 8.54 4.44 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 47 W 8.15 5.13 0.00 2.67 1.94 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 48 T 8.73 4.80 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 49 V 8.72 5.02 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.11 0.00 0.00 50 D 8.99 4.93 0.00 2.60 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 51 V 8.58 4.61 2.17 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 0.91 0.00 0.00 1.05 0.00 0.00 52 A 8.84 4.72 1.24 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 0.00 0.00 0.00 53 D 9.55 4.32 0.00 2.96 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 54 G 9.27 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 55 G 8.34 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 56 Y 8.25 4.23 0.00 3.39 3.12 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 0.00 0.00 0.00 0.00 57 T 7.85 5.06 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 1.24 0.00 0.00 58 L 9.12 4.81 0.00 1.37 1.46 0.19 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 59 N 9.05 5.03 0.00 2.82 2.79 0.00 0.00 6.49 6.82 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 60 I 8.44 4.71 1.72 0.00 0.00 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 1.01 0.82 0.28 0.00 0.00 61 K 8.88 4.93 0.00 1.74 1.61 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.54 7.81 62 F 9.14 5.31 0.00 3.13 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.16 4.10 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 64 G 8.41 4.08 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 0.00 0.00 0.00