NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4491 8.1627 118.3264 55.2861 33.5902 173.4119 2 Q 4.7774 8.2470 120.7766 53.1751 31.0980 172.7648 3 I 4.8813 9.0145 119.2651 59.3628 42.3370 173.2572 4 F 5.3188 9.2928 121.4297 55.7771 42.4338 175.2768 5 V 4.7446 8.8298 121.4378 61.0670 34.1532 174.2038 6 K 4.6580 9.0593 131.6890 55.8321 33.0300 176.5493 7 T 4.9526 8.7473 118.6562 60.4753 71.0889 175.5216 8 L 4.3577 8.5364 120.2417 56.0840 41.8819 178.0989 9 T 4.1237 7.4909 108.7230 61.9159 69.2756 175.7434 10 G 4.0089 7.7693 108.8801 44.7605 0.0000 173.1690 11 K 4.4762 7.7020 120.6835 55.4346 34.0514 175.3010 12 T 5.1136 8.5102 123.3526 61.8044 70.8543 173.3254 13 I 4.4222 8.6727 120.8051 59.8128 39.9498 174.6044 14 T 4.7325 8.3715 119.2605 60.7534 69.0513 173.3859 15 L 4.7211 8.3957 128.7429 53.2725 46.1199 174.3930 16 E 4.9030 8.7212 126.3317 55.0163 30.5551 175.0805 17 V 4.6361 9.0775 119.6534 59.9476 36.5068 174.3597 18 E 4.7637 9.2950 120.7691 53.9636 32.1665 176.2788 19 P 4.2035 0.0000 0.0000 65.3301 31.6032 178.2588 20 S 4.3737 7.8867 110.5382 59.1212 63.8661 174.2482 21 D 4.5100 8.0431 122.9830 54.4256 41.4079 175.9641 22 T 4.7799 8.1411 112.8247 61.1881 71.4606 176.0470 23 I 3.7563 8.4443 123.6768 64.4785 37.1882 178.6948 24 E 3.9570 8.0317 118.7973 59.3962 29.2480 178.8530 25 N 4.3105 7.9678 117.6887 56.2600 38.9854 176.9884 26 V 3.5577 7.8211 119.7444 66.1202 31.5794 178.2050 27 K 4.4285 8.5677 119.2897 58.8389 31.7239 179.2161 28 A 3.9927 7.8570 120.9841 54.9997 18.1964 179.8589 29 K 3.9030 8.3247 117.4202 59.6323 32.0468 179.6741 30 I 3.6744 7.9082 120.1592 64.3644 37.0257 178.2987 31 Q 4.1459 8.1872 121.7895 58.6918 28.6800 177.6869 32 D 4.3212 8.0991 118.1831 57.1816 41.3134 177.8035 33 K 4.1388 8.1648 119.0543 58.5477 32.5237 177.6814 34 E 4.6007 8.7792 116.1243 55.0898 30.6306 176.9762 35 G 3.8623 8.3107 107.3114 45.6541 0.0000 173.5240 36 I 4.0206 7.4100 121.4334 59.4296 37.7845 173.7324 37 P 4.3283 0.0000 0.0000 62.2776 31.9640 175.5220 38 P 4.2439 0.0000 0.0000 65.7460 31.4436 178.0853 39 D 4.3539 8.1211 116.0183 56.6389 41.2950 176.4998 40 Q 4.3951 8.0533 116.5223 56.0236 29.7069 174.8169 41 Q 4.5528 8.0306 119.4210 55.2650 30.2636 174.9357 42 R 4.5525 8.6919 123.9442 54.6464 32.6402 173.7948 43 L 5.1572 8.3714 126.6512 53.4918 44.0875 175.9054 44 I 5.1265 8.9277 123.1463 59.6679 41.5637 174.3487 45 F 4.9449 9.0320 127.2883 57.2159 43.0427 174.2068 46 A 3.4545 8.9828 128.6782 53.1729 15.8911 177.7454 47 G 3.8909 8.3472 105.0788 47.0102 0.0000 174.1174 48 K 4.5520 7.9346 119.8917 54.1651 34.2227 174.9751 49 Q 4.6148 8.5619 125.1035 55.5151 29.5847 175.3764 50 L 3.9406 8.5446 127.4672 54.6075 42.6752 175.9502 51 E 4.5911 9.3343 124.3219 54.5042 31.1715 176.2961 52 D 4.3891 9.1842 126.7935 57.7118 41.0352 178.6764 53 G 3.8333 8.0247 104.4030 46.2410 0.0000 173.4198 54 R 4.4298 8.1423 120.4554 55.1119 31.8474 175.0356 55 T 5.1105 8.0690 108.8465 59.5795 71.5671 175.0961 56 L 4.2053 8.5478 122.5578 58.0284 41.4443 180.1346 57 S 4.1761 8.4302 114.4705 61.5183 62.6251 176.2350 58 D 4.2798 7.7405 121.3046 56.7715 39.3526 177.3436 59 Y 4.5433 7.7769 114.7392 56.8985 37.9305 175.6689 60 N 4.2151 8.0978 117.1971 54.3880 38.0331 173.7715 61 I 3.5050 7.1327 115.5710 60.6173 37.4182 175.5326 62 Q 4.7131 8.2832 124.1197 52.9350 31.8013 174.8297 63 K 4.1014 8.4150 117.3600 59.0347 32.4515 176.8921 64 E 4.0705 9.2728 119.3946 56.9550 28.2234 175.0341 65 S 4.6063 7.9192 115.7315 59.0938 64.3643 173.2398 66 T 5.2280 8.7002 118.0760 62.0734 70.7296 173.7208 67 L 5.0062 9.2267 126.6089 53.6576 44.8915 174.9756 68 H 5.2347 9.3869 118.5909 54.0278 31.3840 173.2780 69 L 5.0982 8.7167 125.5311 53.4089 43.8745 175.4555 70 V 4.4351 8.6457 127.2178 60.9118 33.9528 174.5016 71 L 4.6985 8.5251 128.2525 54.5113 42.4358 176.9095 72 R 4.1816 9.2324 124.6604 56.5532 29.6632 175.9266 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 4.45 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 2 Q 8.25 4.78 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 1.75 2.07 0.00 3 I 9.01 4.88 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.82 0.00 0.00 4 F 9.29 5.32 0.00 2.99 2.97 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 5 V 8.83 4.74 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 0.95 0.00 0.00 0.92 0.00 0.00 6 K 9.06 4.66 0.00 1.83 1.57 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.39 7.81 7 T 8.75 4.95 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 1.23 0.00 0.00 8 L 8.54 4.36 0.00 1.65 1.76 0.97 0.85 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 9 T 7.49 4.12 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 10 G 7.77 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 0.00 0.00 0.00 11 K 7.70 4.48 0.00 1.92 1.68 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 12 T 8.51 5.11 4.30 0.00 0.00 0.00 0.00 0.00 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 13 I 8.67 4.42 1.88 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 1.33 0.94 0.93 0.00 0.00 14 T 8.37 4.73 4.19 0.00 0.00 0.00 0.00 0.00 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 15 L 8.40 4.72 0.00 1.68 1.32 0.89 0.52 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 16 E 8.72 4.90 0.00 1.93 1.79 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 2.18 2.34 0.00 17 V 9.08 4.64 2.04 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 0.69 0.00 0.00 0.91 0.00 0.00 18 E 9.29 4.76 0.00 2.07 1.79 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 2.19 2.37 0.00 19 P 0.00 4.20 0.00 2.16 2.09 0.00 3.57 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 2.10 2.05 0.00 20 S 7.89 4.37 0.00 3.97 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 21 D 8.04 4.51 0.00 2.81 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 8.14 4.78 4.42 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 1.22 0.00 0.00 23 I 8.44 3.76 2.04 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 1.88 0.96 0.90 0.00 0.00 24 E 8.03 3.96 0.00 2.14 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 2.54 2.32 0.00 25 N 7.97 4.31 0.00 2.84 2.99 0.00 0.00 6.78 8.81 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 26 V 7.82 3.56 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 0.94 0.00 0.00 0.99 0.00 0.00 27 K 8.57 4.43 0.00 1.99 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.48 7.81 28 A 7.86 3.99 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 8.32 3.90 0.00 1.98 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 7.91 3.67 2.13 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 1.39 1.10 0.91 0.00 0.00 31 Q 8.19 4.15 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 32 D 8.10 4.32 0.00 2.72 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 33 K 8.16 4.14 0.00 1.77 1.87 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 34 E 8.78 4.60 0.00 2.02 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 2.24 2.43 0.00 35 G 8.31 3.86 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 0.00 0.00 0.00 36 I 7.41 4.02 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 1.42 1.13 0.91 0.00 0.00 37 P 0.00 4.33 0.00 2.17 1.99 0.00 3.61 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 38 P 0.00 4.24 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.12 4.35 0.00 2.61 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 40 Q 8.05 4.40 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 8.03 4.55 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 42 R 8.69 4.55 0.00 1.87 1.98 0.00 3.08 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 43 L 8.37 5.16 0.00 1.59 1.52 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.93 5.13 1.92 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 0.97 0.99 0.00 0.00 45 F 9.03 4.94 0.00 3.00 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 46 A 8.98 3.45 0.81 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.35 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 48 K 7.93 4.55 0.00 2.03 1.83 0.00 1.90 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.54 7.81 49 Q 8.56 4.61 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.54 3.94 0.00 1.43 1.31 0.71 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.33 4.59 0.00 2.15 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 2.27 2.31 0.00 52 D 9.18 4.39 0.00 2.80 2.76 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 53 G 8.02 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 54 R 8.14 4.43 0.00 2.16 1.95 0.00 3.20 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 55 T 8.07 5.11 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 1.26 0.00 0.00 56 L 8.55 4.21 0.00 1.88 1.70 0.92 0.46 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 57 S 8.43 4.18 0.00 4.03 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 0.00 58 D 7.74 4.28 0.00 2.67 2.40 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 59 Y 7.78 4.54 0.00 3.19 3.09 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 0.00 60 N 8.10 4.22 0.00 2.94 3.07 0.00 0.00 7.14 7.46 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 61 I 7.13 3.51 1.74 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.55 0.00 0.00 62 Q 8.28 4.71 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 63 K 8.42 4.10 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.52 7.81 64 E 9.27 4.07 0.00 2.23 2.36 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 2.31 2.51 0.00 65 S 7.92 4.61 0.00 3.78 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 5.23 4.30 0.00 0.00 0.00 0.00 0.00 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 67 L 9.23 5.01 0.00 1.56 1.60 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.39 5.23 0.00 3.15 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.72 5.10 0.00 1.62 1.57 0.93 0.80 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 8.65 4.44 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.53 4.70 0.00 1.56 1.60 0.93 0.95 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 72 R 9.23 4.18 0.00 1.84 1.80 0.00 3.29 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00