NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3193 8.1627 120.6043 55.6201 33.1231 171.7631 2 Q 4.4215 7.9269 122.2923 52.3930 30.3157 172.7062 3 I 4.4979 8.7758 122.1360 59.5566 41.0808 174.0300 4 F 5.3194 9.1768 121.0258 55.6616 42.5899 174.8098 5 V 4.8465 9.0443 121.7854 61.1052 34.2498 173.9315 6 K 5.0118 9.2238 130.2325 54.9111 34.1150 176.0116 7 T 4.8705 8.7472 118.2934 60.5140 71.0946 175.1257 8 L 4.4859 8.4777 119.1980 55.5134 41.4574 177.6933 9 T 4.4655 7.8195 106.3801 61.1249 69.2708 173.6546 10 G 4.1216 8.4204 110.5467 45.7358 0.0000 174.8117 11 K 4.1809 7.9115 118.8460 56.9268 33.2021 176.4323 12 T 5.2072 8.4373 120.2062 61.7959 72.1166 173.2433 13 I 4.7126 8.8328 119.6768 59.4177 40.6775 174.3916 14 T 4.9980 8.4119 113.4086 60.1343 71.1118 173.6036 15 L 4.7595 8.4884 123.3611 52.9926 45.7568 175.3331 16 E 4.6635 8.7481 123.0324 55.6591 30.1089 176.1621 17 V 4.7310 8.3887 117.7347 59.4537 35.8963 174.9385 18 E 4.5804 9.3690 121.4547 54.0926 31.5509 175.1432 19 P 4.1570 0.0000 0.0000 66.0108 31.5234 177.8166 20 S 4.2484 7.9160 110.6879 60.0728 63.0086 173.9323 21 D 4.3692 8.1397 121.4361 55.2209 41.1856 176.6895 22 T 4.7359 8.2498 113.8998 61.0229 71.3943 175.8929 23 I 3.6954 8.7287 122.7034 64.3838 36.9984 178.4144 24 E 3.9051 8.2184 120.2662 59.2822 29.4574 178.4747 25 N 4.2842 8.2819 116.5415 56.5155 38.6535 177.3680 26 V 3.5737 7.6815 119.3576 66.1295 31.5800 178.2642 27 K 4.2940 8.5309 119.3417 58.6365 31.8094 179.3092 28 A 4.0012 8.0384 121.3524 55.0918 17.8177 179.8106 29 K 4.0716 8.1739 117.0357 59.7175 32.0628 179.7019 30 I 3.7644 7.8296 120.2061 64.2622 36.9160 178.2566 31 Q 4.1322 8.1310 120.5846 59.2811 28.6584 178.0029 32 D 4.4209 8.0842 119.0543 56.5909 40.8396 177.9399 33 K 4.3871 7.4812 116.7582 56.8669 33.1193 176.9516 34 E 4.4890 8.1568 115.4695 54.8486 31.5071 176.9580 35 G 3.8227 8.4694 106.6286 45.7645 0.0000 173.3549 36 I 4.1385 7.4951 120.4692 58.9700 37.6133 174.0665 37 P 4.3629 0.0000 0.0000 62.1615 32.0408 175.8408 38 P 4.2938 0.0000 0.0000 65.6757 31.4213 178.3754 39 D 4.4308 8.0623 115.8963 55.4397 39.7084 176.6587 40 Q 4.6068 8.0874 118.6320 55.7231 29.1079 174.2437 41 Q 5.0075 8.0929 118.7103 53.9683 31.7164 174.3881 42 R 4.6483 9.0196 124.4504 54.4713 32.8017 174.2018 43 L 5.2482 8.4929 125.6192 53.0736 44.6561 175.2622 44 I 5.1002 8.9559 124.1010 59.5090 40.8599 174.4175 45 F 5.1007 8.8642 127.4799 56.8814 42.8458 174.3960 46 A 3.4377 8.9989 128.8761 53.1842 15.7843 178.1331 47 G 3.9266 8.1351 106.8447 46.5821 0.0000 174.3468 48 K 4.3444 7.8296 120.4381 55.2539 33.2388 175.5024 49 Q 4.5776 8.4965 124.6554 55.6567 29.4847 175.3368 50 L 4.1199 8.7280 127.6375 54.5527 42.7151 176.2235 51 E 4.6197 8.7143 121.5457 54.8646 31.3904 176.9814 52 D 4.3839 9.0590 123.9381 57.6019 41.1410 179.3246 53 G 3.6625 8.0104 106.1571 47.9118 0.0000 174.0263 54 R 4.2317 7.7295 119.2537 55.8914 30.9163 175.6588 55 T 4.8559 7.9622 114.1689 60.6067 69.3743 175.4265 56 L 4.2102 8.3080 123.1180 57.2676 41.3482 179.7611 57 S 4.4795 8.0097 113.9450 60.9642 63.1505 175.7960 58 D 4.4573 7.7505 119.9486 56.1097 40.5532 176.4238 59 Y 4.5238 7.6303 114.7303 56.6861 38.8877 174.6580 60 N 4.0853 7.8437 117.4089 54.4730 37.8847 174.9371 61 I 3.7236 8.1331 118.6894 60.5035 37.3599 176.5368 62 Q 4.4178 8.3631 125.6616 53.6912 30.4355 175.2686 63 K 4.0456 8.2442 119.9233 58.1341 32.4577 176.3061 64 E 4.1493 8.8806 123.7956 57.0104 27.9485 174.9211 65 S 4.5812 7.8593 115.4998 58.9491 64.3640 173.5196 66 T 5.1971 8.6750 118.8652 62.0878 70.4177 173.9149 67 L 4.7913 9.2315 127.3814 54.3148 44.1110 175.5293 68 H 5.3125 9.2967 118.8217 54.1159 31.1868 173.2186 69 L 4.9475 8.7630 126.4445 53.7684 43.0963 175.7607 70 V 4.5301 8.9417 126.1522 60.5171 34.8559 174.4097 71 L 4.2819 8.6584 129.1733 55.3262 42.8716 176.2486 72 R 4.4964 8.5338 126.4935 54.5478 31.1543 175.2609 73 L 4.3761 8.3482 125.9339 53.8076 42.8840 177.7008 74 R 4.1133 8.3578 118.2920 56.7241 30.0316 176.8566 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 4.32 0.00 2.42 2.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 Q 7.93 4.42 0.00 2.28 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.66 0.00 0.00 0.00 0.00 0.00 1.69 2.15 0.00 3 I 8.78 4.50 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.34 0.84 0.00 0.00 4 F 9.18 5.32 0.00 2.97 2.92 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 5 V 9.04 4.85 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 1.03 0.00 0.00 0.92 0.00 0.00 6 K 9.22 5.01 0.00 1.76 1.54 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.35 7.81 7 T 8.75 4.87 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 8.48 4.49 0.00 1.67 1.74 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.82 4.47 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 1.22 0.00 0.00 10 G 8.42 4.12 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 0.00 0.00 0.00 11 K 7.91 4.18 0.00 1.74 1.76 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.48 7.81 12 T 8.44 5.21 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 1.35 0.00 0.00 13 I 8.83 4.71 1.89 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 1.44 1.28 0.97 0.00 0.00 14 T 8.41 5.00 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 1.38 0.00 0.00 15 L 8.49 4.76 0.00 1.47 1.48 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.75 4.66 0.00 1.80 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 2.22 2.24 0.00 17 V 8.39 4.73 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 0.64 0.00 0.00 0.89 0.00 0.00 18 E 9.37 4.58 0.00 1.97 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 0.00 2.49 2.25 0.00 19 P 0.00 4.16 0.00 2.04 2.17 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 20 S 7.92 4.25 0.00 3.82 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 21 D 8.14 4.37 0.00 2.83 2.58 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 0.00 22 T 8.25 4.74 4.51 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 1.22 0.00 0.00 23 I 8.73 3.70 2.13 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.94 0.87 0.00 0.00 24 E 8.22 3.91 0.00 2.19 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 2.40 0.00 25 N 8.28 4.28 0.00 3.06 2.85 0.00 0.00 6.67 7.22 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 26 V 7.68 3.57 2.24 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 0.99 0.00 0.00 0.95 0.00 0.00 27 K 8.53 4.29 0.00 1.98 1.86 0.00 1.81 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.46 7.81 28 A 8.04 4.00 1.39 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 0.00 0.00 0.00 29 K 8.17 4.07 0.00 1.95 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.71 7.81 30 I 7.83 3.76 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 1.40 0.84 0.91 0.00 0.00 31 Q 8.13 4.13 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 8.08 4.42 0.00 2.90 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 7.48 4.39 0.00 1.73 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.44 7.81 34 E 8.16 4.49 0.00 1.99 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 2.33 2.36 0.00 35 G 8.47 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.50 4.14 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 0.88 0.91 0.00 0.00 37 P 0.00 4.36 0.00 2.35 1.98 0.00 3.80 0.00 0.00 4.00 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 4.29 0.00 2.17 2.17 0.00 3.60 0.00 0.00 3.99 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 39 D 8.06 4.43 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 8.09 4.61 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 8.09 5.01 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 42 R 9.02 4.65 0.00 1.84 1.90 0.00 3.05 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 43 L 8.49 5.25 0.00 1.57 1.50 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.96 5.10 1.91 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 1.12 0.69 0.97 0.00 0.00 45 F 8.86 5.10 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.14 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.83 4.34 0.00 2.12 1.86 0.00 1.92 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.57 7.81 49 Q 8.50 4.58 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.73 4.12 0.00 1.40 1.23 0.70 -0.09 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 51 E 8.71 4.62 0.00 2.09 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 2.32 2.40 0.00 52 D 9.06 4.38 0.00 2.72 2.82 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 0.00 0.00 0.00 53 G 8.01 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.23 0.00 2.11 1.90 0.00 3.17 0.00 0.00 2.80 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 55 T 7.96 4.86 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 1.32 0.00 0.00 56 L 8.31 4.21 0.00 1.73 1.63 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.01 4.48 0.00 4.05 4.11 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 58 D 7.75 4.46 0.00 2.78 2.54 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 0.00 59 Y 7.63 4.52 0.00 2.92 3.04 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 60 N 7.84 4.09 0.00 2.89 2.99 0.00 0.00 7.12 8.04 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 61 I 8.13 3.72 1.79 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 -0.30 0.16 0.57 0.00 0.00 62 Q 8.36 4.42 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.98 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 63 K 8.24 4.05 0.00 1.69 1.72 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.51 7.81 64 E 8.88 4.15 0.00 2.28 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 2.44 2.33 0.00 65 S 7.86 4.58 0.00 3.83 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 66 T 8.68 5.20 4.32 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 1.17 0.00 0.00 67 L 9.23 4.79 0.00 1.55 1.59 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.30 5.31 0.00 3.04 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.76 4.95 0.00 1.63 1.58 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.94 4.53 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 0.98 0.00 0.00 0.94 0.00 0.00 71 L 8.66 4.28 0.00 1.68 1.56 0.92 0.85 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 72 R 8.53 4.50 0.00 1.84 1.84 0.00 3.42 0.00 0.00 3.45 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 73 L 8.35 4.38 0.00 1.68 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.36 4.11 0.00 1.80 1.84 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00