NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3849 8.3049 120.3536 54.8126 32.7108 175.0458 2 E 3.7831 8.9297 126.7660 56.7318 29.8598 175.0346 3 Q 4.6871 9.6096 124.4595 54.3313 32.1830 174.8998 4 R 5.2899 8.4600 122.6462 54.9854 33.2553 175.2887 5 I 4.5817 8.8606 119.0031 60.1308 42.0317 174.1348 6 T 4.3789 8.5871 118.3485 61.4509 69.5602 174.8509 7 L 3.9314 8.6401 125.3501 58.3440 41.8953 179.1512 8 K 3.8706 8.1099 118.9832 59.7962 32.1183 177.9673 9 D 4.3776 8.2363 118.7108 57.6211 40.7951 178.3904 10 Y 4.0010 8.3141 119.4960 60.9091 38.7989 178.1509 11 A 4.2281 8.8720 123.2085 54.8064 18.2023 179.2616 12 M 3.7096 8.1667 116.6643 58.5335 32.3180 178.2756 13 R 3.7127 7.5966 118.0996 59.0950 30.3986 177.8818 14 F 4.4834 7.6646 115.0095 56.6331 39.8252 176.9835 15 G 4.1659 8.4669 106.1715 46.1001 0.0000 174.7384 16 Q 4.1958 8.5305 119.5127 58.4424 28.6660 179.4450 17 T 3.8991 7.8431 116.9727 66.6660 68.6972 176.5623 18 K 4.0723 8.0692 120.8047 59.3432 31.9715 178.9273 19 T 4.0861 7.9252 116.0486 66.6054 68.4153 175.9247 20 A 4.0945 8.0816 122.6576 55.4079 18.1294 179.3251 21 K 3.7297 7.7838 116.1805 59.9449 32.2996 178.2014 22 D 4.4311 8.1836 117.8769 57.2151 40.9057 178.2372 23 L 4.2880 8.0466 116.6898 53.8360 43.4138 175.8627 24 G 3.5017 8.8010 107.2416 44.8888 0.0000 171.7221 25 V 4.1368 6.7818 117.8942 62.1302 35.3612 172.1777 26 Y 4.3611 8.2734 119.3344 57.3568 38.7121 177.0837 27 Q 4.1386 8.8871 124.6097 59.0019 29.1018 178.5993 28 S 4.1866 8.3124 115.1176 61.3078 63.0030 176.1251 29 A 4.1057 8.2426 124.3627 55.0245 18.1697 179.4288 30 I 3.7945 8.0373 117.8210 64.7272 37.1657 177.5751 31 N 4.2770 8.1194 117.2926 56.9577 38.6798 176.9669 32 K 3.9853 8.4583 119.4175 59.4703 32.1719 179.1750 33 A 4.0105 8.2361 121.0210 55.2964 18.3201 179.8843 34 I 3.6571 8.2913 118.5237 64.9501 37.1025 178.4343 35 H 4.2235 8.5572 115.5885 58.1639 28.5704 176.7135 36 A 4.4649 8.0932 120.7489 51.3446 18.9160 177.4968 37 G 3.8366 7.7576 104.8511 46.1096 0.0000 174.4746 38 R 3.9843 7.5198 118.2176 56.0748 31.1410 178.1175 39 K 4.4002 8.3857 122.9784 55.5480 30.4591 175.8314 40 I 4.7932 7.2878 122.6544 59.9513 39.5588 176.3527 41 F 5.3499 9.0939 120.8816 55.2571 41.9229 173.3549 42 L 5.1823 9.6224 120.5111 53.1163 45.2316 175.4675 43 T 5.1746 8.8050 111.6152 60.0974 71.6287 172.7676 44 I 4.7301 8.6684 126.0235 59.8399 38.9208 174.9888 45 N 5.0232 9.2518 124.4966 51.3458 40.5249 176.2204 46 A 3.9398 8.8430 124.2716 55.2694 18.5265 178.3651 47 D 4.5286 8.0850 112.8713 53.6987 39.7421 177.1498 48 G 3.8853 8.4054 108.6136 45.4398 0.0000 173.4569 49 S 4.3891 8.8951 115.5629 57.1995 64.7997 173.2307 50 V 4.6603 7.6940 122.4850 61.3135 33.4769 174.0685 51 Y 4.9930 8.6737 123.7037 56.2253 42.8215 173.8840 52 A 5.1474 8.6574 122.2249 50.4058 22.3752 175.2003 53 E 5.0157 8.4475 119.3877 54.5630 34.6826 174.1546 54 E 5.0863 9.7323 122.7266 54.5361 33.3919 174.5636 55 V 4.6709 8.6246 127.4127 62.1730 32.2173 175.2713 56 K 4.3832 9.4329 125.0472 57.2830 35.2898 174.6392 57 D 4.1404 9.8683 118.0972 55.6338 38.3660 174.9722 58 G 3.9517 8.7373 104.5141 45.4345 0.0000 173.0273 59 E 4.7790 8.1313 117.1309 54.4652 33.9692 174.6964 60 V 4.8588 8.4673 119.8513 61.4011 32.4494 174.3940 61 K 4.7849 8.9182 127.2267 54.1626 36.1582 173.7622 62 P 4.8889 0.0000 0.0000 62.2107 32.5183 176.0056 63 W 5.0559 8.7165 131.3614 55.7908 33.6252 172.9773 64 P 4.0955 0.0000 0.0000 61.2726 33.3565 175.6933 65 S 4.2886 8.1549 113.6175 59.1746 62.9288 174.1311 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 8.30 4.38 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 E 8.93 3.78 0.00 2.12 1.96 0.00 0.00 0.00 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 2.45 0.00 3 Q 9.61 4.69 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 4 R 8.46 5.29 0.00 1.72 2.05 0.00 3.05 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 5 I 8.86 4.58 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 1.14 0.00 0.00 6 T 8.59 4.38 4.28 0.00 0.00 0.00 0.00 0.00 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 7 L 8.64 3.93 0.00 1.62 1.60 0.93 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.11 3.87 0.00 1.87 1.80 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.55 7.81 9 D 8.24 4.38 0.00 2.89 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 10 Y 8.31 4.00 0.00 3.17 3.22 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 11 A 8.87 4.23 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 12 M 8.17 3.71 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 13 R 7.60 3.71 0.00 1.42 1.18 0.00 2.98 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 14 F 7.66 4.48 0.00 2.87 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 15 G 8.47 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 16 Q 8.53 4.20 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 17 T 7.84 3.90 4.28 0.00 0.00 0.00 0.00 0.00 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 18 K 8.07 4.07 0.00 1.88 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 19 T 7.93 4.09 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 20 A 8.08 4.09 1.49 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 0.00 0.00 0.00 21 K 7.78 3.73 0.00 1.89 2.04 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 22 D 8.18 4.43 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.29 0.00 1.67 1.78 1.06 0.78 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 24 G 8.80 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.78 4.14 2.05 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 0.83 0.00 0.00 0.69 0.00 0.00 26 Y 8.27 4.36 0.00 3.18 2.85 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 0.00 0.00 0.00 27 Q 8.89 4.14 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 28 S 8.31 4.19 0.00 4.11 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.11 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.79 2.16 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.91 1.00 0.00 0.00 31 N 8.12 4.28 0.00 3.04 3.16 0.00 0.00 7.29 6.44 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 32 K 8.46 3.99 0.00 1.88 1.89 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.82 1.66 7.81 33 A 8.24 4.01 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 34 I 8.29 3.66 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.93 0.00 0.00 35 H 8.56 4.22 0.00 3.19 3.41 0.00 5.66 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 8.09 4.46 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 37 G 7.76 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.52 3.98 0.00 1.66 1.93 0.00 3.23 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 39 K 8.39 4.40 0.00 1.72 1.79 0.00 1.66 0.00 0.00 1.98 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.43 7.81 40 I 7.29 4.79 1.49 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.55 0.43 0.00 0.00 41 F 9.09 5.35 0.00 3.16 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 42 L 9.62 5.18 0.00 1.55 1.38 0.74 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.80 5.17 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 I 8.67 4.73 1.94 0.00 0.00 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 1.47 1.05 0.97 0.00 0.00 45 N 9.25 5.02 0.00 2.84 2.77 0.00 0.00 6.46 7.41 0.00 0.00 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 8.84 3.94 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 47 D 8.08 4.53 0.00 2.78 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 48 G 8.41 3.89 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 0.00 49 S 8.90 4.39 0.00 3.70 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 50 V 7.69 4.66 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.81 0.00 0.00 51 Y 8.67 4.99 0.00 2.98 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 52 A 8.66 5.15 1.42 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 53 E 8.45 5.02 0.00 1.16 1.64 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 2.23 2.08 0.00 54 E 9.73 5.09 0.00 1.87 1.83 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 2.23 2.28 0.00 55 V 8.62 4.67 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 0.85 0.00 0.00 1.05 0.00 0.00 56 K 9.43 4.38 0.00 1.96 1.88 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.39 7.81 57 D 9.87 4.14 0.00 2.84 2.79 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 58 G 8.74 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 0.00 0.00 0.00 59 E 8.13 4.78 0.00 2.05 2.05 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 2.19 2.35 0.00 60 V 8.47 4.86 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 1.17 0.00 0.00 1.00 0.00 0.00 61 K 8.92 4.78 0.00 1.87 1.91 0.00 1.41 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.44 7.81 62 P 0.00 4.89 0.00 1.96 2.00 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 63 W 8.72 5.06 0.00 3.21 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 1.63 0.49 0.00 3.43 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.00 65 S 8.15 4.29 0.00 3.83 3.77 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