NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4836 8.1627 118.3276 55.3590 33.6446 173.2048 2 Q 4.9042 8.2877 119.6171 52.5356 32.0691 172.5069 3 I 4.9077 9.2768 119.4350 59.3358 42.6548 173.0328 4 F 5.2388 9.0894 120.5006 55.6019 42.3220 174.7395 5 V 4.7939 9.2963 123.4020 61.0788 34.1143 173.9979 6 K 4.8302 9.0336 130.9424 54.8305 33.6039 176.2051 7 T 4.7787 8.2588 118.8625 60.4595 69.9610 175.5990 8 L 4.2174 8.2821 121.4620 58.0921 40.7900 178.4999 9 T 3.9509 7.7919 109.5308 64.0065 69.0703 174.2276 10 G 3.8079 7.4619 111.3801 45.7241 0.0000 174.9069 11 K 4.0789 8.1687 120.3958 56.5821 32.6344 175.4605 12 T 4.8081 8.4185 120.0455 62.0711 70.3342 173.8461 13 I 4.4554 9.1266 127.9227 60.2304 39.4433 174.7313 14 T 4.7893 8.4336 122.7359 61.8402 70.2394 173.7729 15 L 4.6601 8.5243 127.7784 53.0854 45.7383 174.6881 16 E 4.6895 8.7602 127.1208 55.5537 30.2033 175.1370 17 V 4.6504 8.9329 120.0067 59.7513 36.2460 174.4203 18 E 4.7726 8.4823 118.7133 54.0934 33.3149 175.9128 19 P 4.2469 0.0000 0.0000 65.3162 31.5881 178.2121 20 S 4.6305 7.8440 110.0417 58.1585 63.8287 174.0220 21 D 4.4265 7.8365 122.5844 54.7240 41.2955 176.3334 22 T 4.8278 8.0895 113.7050 60.5321 72.0130 176.1158 23 I 3.6772 7.7139 121.0530 64.5395 37.0704 178.4909 24 E 3.9258 8.2202 118.9425 59.5915 29.0619 178.9654 25 N 4.2978 7.7258 114.9853 56.3120 38.8902 177.4168 26 V 3.6860 7.6049 119.2560 66.1166 31.2828 178.3291 27 K 4.4485 8.9886 119.4979 58.6983 31.2980 179.1232 28 A 3.8497 7.9734 121.0999 54.7782 18.2049 179.7819 29 K 4.0389 8.1487 117.2530 59.4828 32.1063 179.5833 30 I 3.9190 7.6896 119.6077 63.9023 36.6225 177.9217 31 Q 4.1744 7.6421 120.5201 59.2004 28.5963 177.9454 32 D 4.4114 7.5566 118.1311 56.5060 40.8833 178.4502 33 K 4.1897 7.4202 116.8655 58.6527 32.6085 177.9693 34 E 4.4672 8.3355 116.5803 57.4651 31.3057 177.6812 35 G 4.1572 8.3738 105.6703 47.4521 0.0000 174.8645 36 I 4.2810 7.2482 119.9435 57.9263 38.0477 173.4138 37 P 4.1279 0.0000 0.0000 61.9519 31.8165 175.8252 38 P 4.2816 0.0000 0.0000 65.6369 31.4723 178.2936 39 D 4.3392 8.0834 116.3991 55.7316 39.6949 176.8352 40 Q 4.4257 8.2592 117.5528 55.7396 29.3312 174.6760 41 Q 4.6741 7.6468 118.5753 54.9051 31.1029 175.1904 42 R 4.7036 8.6416 120.9206 54.6199 33.7618 174.1709 43 L 5.1325 8.4819 124.2297 53.1655 44.3384 175.8352 44 I 5.0107 8.9121 123.5878 59.4877 41.4482 174.3725 45 F 5.1031 8.9977 126.3036 57.0722 42.5004 174.5806 46 A 3.6656 9.5514 129.0972 53.3907 15.9690 176.9840 47 G 4.0232 8.4509 106.2575 46.4353 0.0000 174.3206 48 K 4.5443 8.4400 121.9347 54.0343 34.5260 174.6165 49 Q 4.4909 8.6631 127.8838 56.0115 29.6368 175.3351 50 L 3.8072 8.2682 127.0429 54.4864 42.6703 176.1149 51 E 4.6917 9.4494 123.2390 54.2793 31.8052 175.4717 52 D 4.3682 8.8855 124.3303 56.3951 41.2381 177.0812 53 G 4.1256 8.6494 111.4649 45.1801 0.0000 173.5428 54 R 4.6794 7.8965 118.8364 54.2776 33.3779 175.7759 55 T 4.7166 8.2593 111.3021 60.7144 70.5001 175.7950 56 L 4.2140 8.4479 121.4292 57.6222 41.5367 179.9129 57 S 4.1893 7.9607 114.2299 61.2877 62.5270 176.4679 58 D 4.3240 7.4352 121.0950 57.3878 40.7182 177.5993 59 Y 4.3577 7.8240 112.9955 57.4587 38.2849 174.7813 60 N 4.1704 7.6788 116.2248 54.4912 37.9452 174.0434 61 I 3.5434 7.5150 117.8490 60.6122 36.9796 175.2151 62 Q 4.9384 8.1238 128.3529 53.9909 31.2509 174.6656 63 K 4.2264 8.5104 118.7887 59.0019 33.1465 176.9036 64 E 4.1227 8.9847 120.4853 56.8519 28.1220 174.9257 65 S 4.6081 7.6789 115.2947 59.0372 64.2759 173.2598 66 T 5.2541 8.8062 118.8777 61.9747 70.9985 173.2650 67 L 5.0107 9.2366 126.9909 53.5039 43.9646 175.7980 68 H 4.9687 8.9340 120.9750 55.4237 30.3930 174.2193 69 L 5.1371 8.3890 123.8058 53.3258 44.4791 175.7723 70 V 3.9990 8.9766 127.7846 62.1398 32.9967 175.0899 71 L 4.2534 8.5313 128.4814 53.3207 41.4613 176.7657 72 R 4.1244 8.2331 123.4213 56.6381 29.6103 176.0468 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 4.48 0.00 2.09 2.25 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 2.55 2.55 0.00 2 Q 8.29 4.90 0.00 2.10 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 1.87 2.22 0.00 3 I 9.28 4.91 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.85 0.00 0.00 4 F 9.09 5.24 0.00 2.97 2.94 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 5 V 9.30 4.79 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.03 4.83 0.00 1.79 1.55 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.34 7.81 7 T 8.26 4.78 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 8.28 4.22 0.00 1.77 1.86 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.79 3.95 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 7.46 3.81 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 0.00 11 K 8.17 4.08 0.00 1.84 1.76 0.00 1.64 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.47 7.81 12 T 8.42 4.81 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 1.31 0.00 0.00 13 I 9.13 4.46 1.89 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 1.45 0.77 0.91 0.00 0.00 14 T 8.43 4.79 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 15 L 8.52 4.66 0.00 1.64 1.36 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.76 4.69 0.00 1.94 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 0.00 2.21 2.35 0.00 17 V 8.93 4.65 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 0.86 0.00 0.00 18 E 8.48 4.77 0.00 2.04 1.76 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 2.26 2.28 0.00 19 P 0.00 4.25 0.00 2.16 2.08 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.84 4.63 0.00 3.97 3.96 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 21 D 7.84 4.43 0.00 2.94 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 8.09 4.83 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 1.22 0.00 0.00 23 I 7.71 3.68 2.02 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 1.73 1.11 0.90 0.00 0.00 24 E 8.22 3.93 0.00 2.05 2.01 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 2.41 2.61 0.00 25 N 7.73 4.30 0.00 2.96 2.87 0.00 0.00 7.02 8.99 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 26 V 7.60 3.69 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.93 0.00 0.00 27 K 8.99 4.45 0.00 1.78 1.84 0.00 1.71 0.00 0.00 1.97 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.30 7.81 28 A 7.97 3.85 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.15 4.04 0.00 1.97 1.84 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.69 7.81 30 I 7.69 3.92 1.86 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 1.51 0.54 0.91 0.00 0.00 31 Q 7.64 4.17 0.00 1.96 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 7.56 4.41 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.19 0.00 1.76 1.84 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.59 7.81 34 E 8.34 4.47 0.00 1.87 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 2.26 2.44 0.00 35 G 8.37 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.25 4.28 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 1.41 0.71 0.91 0.00 0.00 37 P 0.00 4.13 0.00 2.17 2.01 0.00 3.61 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 2.12 2.15 0.00 38 P 0.00 4.28 0.00 2.17 2.11 0.00 3.59 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 2.11 2.23 0.00 39 D 8.08 4.34 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 40 Q 8.26 4.43 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 7.65 4.67 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 42 R 8.64 4.70 0.00 1.95 1.80 0.00 3.10 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 1.53 1.57 0.00 43 L 8.48 5.13 0.00 1.53 1.52 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.91 5.01 1.90 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 1.12 1.28 0.94 0.00 0.00 45 F 9.00 5.10 0.00 2.97 2.84 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 46 A 9.55 3.67 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.02 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 0.00 0.00 0.00 48 K 8.44 4.54 0.00 1.81 1.80 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.45 7.81 49 Q 8.66 4.49 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 50 L 8.27 3.81 0.00 1.41 1.14 0.71 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.45 4.69 0.00 2.00 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 2.30 2.40 0.00 52 D 8.89 4.37 0.00 2.68 2.84 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 53 G 8.65 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 54 R 7.90 4.68 0.00 2.17 1.98 0.00 3.14 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 55 T 8.26 4.72 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 1.28 0.00 0.00 56 L 8.45 4.21 0.00 1.92 1.71 0.96 0.75 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 57 S 7.96 4.19 0.00 4.00 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 0.00 58 D 7.44 4.32 0.00 2.57 2.35 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 0.00 59 Y 7.82 4.36 0.00 2.89 3.11 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 0.00 0.00 0.00 0.00 60 N 7.68 4.17 0.00 2.99 3.06 0.00 0.00 7.16 7.82 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 61 I 7.51 3.54 1.63 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 0.54 0.00 0.00 62 Q 8.12 4.94 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 63 K 8.51 4.23 0.00 1.88 1.82 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.50 7.81 64 E 8.98 4.12 0.00 2.29 2.35 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 2.47 2.38 0.00 65 S 7.68 4.61 0.00 4.01 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 66 T 8.81 5.25 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 67 L 9.24 5.01 0.00 1.57 1.75 0.85 0.83 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 68 H 8.93 4.97 0.00 3.20 3.24 0.00 5.75 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 8.39 5.14 0.00 1.62 1.54 1.02 0.98 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 8.98 4.00 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 0.89 0.00 0.00 0.94 0.00 0.00 71 L 8.53 4.25 0.00 1.55 1.64 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.23 4.12 0.00 1.87 1.83 0.00 3.29 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00