NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3806 8.2893 120.3511 55.3801 33.3022 174.1198 2 E 4.6348 8.5429 122.4444 54.3696 32.9556 172.9473 3 Q 4.8222 8.4574 117.8273 54.3491 32.6668 176.5591 4 R 5.0605 8.3320 120.5618 55.2497 33.0191 174.0895 5 I 5.0047 8.8486 126.4528 59.2752 42.0089 175.3137 6 T 3.7919 8.3235 113.9122 61.1188 69.6870 175.0459 7 L 3.7892 8.0996 125.5850 58.3359 42.0183 179.4163 8 K 3.8785 7.9214 118.7052 59.9337 32.2224 178.3540 9 D 4.4033 8.2326 118.8870 57.2991 40.5656 178.2190 10 Y 4.0904 8.3250 120.2055 60.5667 38.8270 177.5450 11 A 4.1908 8.6267 123.4176 54.8548 18.2421 179.2822 12 M 4.0494 8.0571 116.1591 58.2735 32.2861 178.0128 13 R 3.8349 7.4708 117.7284 58.4873 30.5314 177.6160 14 F 4.3892 8.8932 116.0768 56.3053 40.0870 176.7440 15 G 4.1645 8.3514 106.0643 45.9564 0.0000 174.2780 16 Q 3.9826 8.8165 120.4341 59.7572 28.6370 179.7697 17 T 3.9640 8.0047 115.6415 66.9458 67.9323 176.2294 18 K 4.0151 7.9602 120.4398 59.8461 32.4687 178.8046 19 T 4.3146 8.2443 115.9388 66.9944 68.4522 176.2725 20 A 4.0261 8.7498 123.4122 54.8140 18.4865 179.7868 21 K 3.9593 8.4537 117.9185 60.3359 32.3910 179.1333 22 D 4.3798 9.2172 119.6630 56.6736 40.8557 177.8771 23 L 4.3748 7.8795 116.5256 53.6454 42.4770 176.4710 24 G 3.8349 7.9295 106.7381 47.0531 0.0000 173.1065 25 V 4.5530 7.7201 110.8306 59.2055 35.9613 174.6905 26 Y 4.5554 8.2379 120.8632 56.6305 40.0249 175.5286 27 Q 3.7293 8.0889 127.4987 59.6326 28.8937 179.5724 28 S 4.0960 6.6322 113.7709 61.0309 62.9536 176.1568 29 A 4.0445 8.2696 125.3472 54.9617 17.9995 179.6083 30 I 3.5965 7.6000 117.9478 64.6701 37.2270 178.3527 31 N 4.3194 8.0547 116.6653 56.2049 38.4451 177.3910 32 K 3.9014 8.1791 119.5141 59.4921 32.2070 178.9907 33 A 4.0111 7.9309 120.8777 55.4197 18.2056 179.8349 34 I 3.6101 7.9435 118.1149 64.8145 37.0121 178.0033 35 H 4.0593 8.5410 117.8226 59.3635 29.7566 176.7068 36 A 4.2297 8.5315 120.9118 52.4637 18.3115 177.4970 37 G 3.8119 8.1721 105.5277 46.5341 0.0000 174.3923 38 R 4.1300 7.7548 117.8009 55.6998 31.2264 177.9241 39 K 4.3193 8.6986 122.0193 55.5963 32.1370 174.9867 40 I 5.1196 7.8522 124.7047 59.2806 40.6988 174.3555 41 F 4.9646 9.6731 123.8385 55.6387 43.1668 173.7922 42 L 5.0338 9.0744 121.8979 53.5144 44.2414 175.5260 43 T 4.7687 8.3213 119.7312 61.7995 71.0029 173.6235 44 I 4.8200 8.0869 125.8355 59.3564 39.9723 175.5335 45 N 4.4506 10.5352 124.7309 52.6636 39.2234 176.1232 46 A 4.0260 8.6886 123.4120 55.5282 18.4514 179.1497 47 D 4.4315 7.9597 113.6361 54.4512 39.8225 176.4823 48 G 3.9771 8.1712 109.0344 45.6338 0.0000 174.6986 49 S 4.3669 9.7037 116.2675 58.6657 64.1150 173.7477 50 V 4.9622 8.2667 120.5469 61.4740 34.3507 173.9212 51 Y 5.1085 8.5927 123.3247 55.6185 41.8486 173.4624 52 A 5.2595 8.6652 120.5086 50.6308 22.6209 175.1505 53 E 4.8169 9.1526 118.0184 55.0682 34.6027 173.9248 54 E 5.1839 8.8060 122.6285 54.7509 31.8754 175.1292 55 V 4.6330 8.7927 124.7136 61.0993 34.5071 174.9598 56 K 4.7537 8.5443 125.0998 53.8105 35.6766 174.5457 57 P 4.5255 0.0000 0.0000 62.4659 32.0019 175.8711 58 F 4.6939 8.3973 122.1879 55.8858 41.7307 172.9849 59 P 3.9625 0.0000 0.0000 61.0386 32.6773 176.2398 60 S 4.2704 8.3652 113.2320 59.1162 62.6831 174.6938 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 8.29 4.38 0.00 1.98 2.04 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 2.49 2.61 0.00 2 E 8.54 4.63 0.00 2.19 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 2.17 2.37 0.00 3 Q 8.46 4.82 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 4 R 8.33 5.06 0.00 1.74 1.77 0.00 3.05 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 5 I 8.85 5.00 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 1.06 0.00 0.00 6 T 8.32 3.79 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 0.88 0.00 0.00 7 L 8.10 3.79 0.00 1.69 1.60 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.92 3.88 0.00 1.81 1.75 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.52 7.81 9 D 8.23 4.40 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.09 0.00 3.21 3.26 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 11 A 8.63 4.19 1.50 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 12 M 8.06 4.05 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 13 R 7.47 3.83 0.00 1.53 1.24 0.00 2.94 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 14 F 8.89 4.39 0.00 2.73 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 15 G 8.35 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 16 Q 8.82 3.98 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 17 T 8.00 3.96 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 1.21 0.00 0.00 18 K 7.96 4.02 0.00 1.91 1.93 0.00 1.89 0.00 0.00 1.87 0.00 0.00 3.29 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.85 1.59 7.81 19 T 8.24 4.31 4.53 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 0.00 0.00 0.00 1.22 0.00 0.00 20 A 8.75 4.03 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 21 K 8.45 3.96 0.00 1.97 2.10 0.00 1.35 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.63 7.81 22 D 9.22 4.38 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.37 0.00 1.58 1.67 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.93 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 25 V 7.72 4.55 2.13 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 0.77 0.00 0.00 0.93 0.00 0.00 26 Y 8.24 4.56 0.00 3.03 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 8.09 3.73 0.00 1.97 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.67 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 28 S 6.63 4.10 0.00 4.19 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 0.00 29 A 8.27 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.60 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.92 0.00 0.00 31 N 8.05 4.32 0.00 2.70 2.86 0.00 0.00 7.04 7.68 0.00 0.00 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 8.18 3.90 0.00 1.82 1.87 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.85 7.81 33 A 7.93 4.01 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 34 I 7.94 3.61 2.11 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 1.39 0.67 0.91 0.00 0.00 35 H 8.54 4.06 0.00 3.13 3.55 0.00 5.95 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 8.53 4.23 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 37 G 8.17 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 38 R 7.75 4.13 0.00 1.73 2.11 0.00 3.18 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 39 K 8.70 4.32 0.00 2.01 2.03 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.52 7.81 40 I 7.85 5.12 1.77 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 1.36 1.26 0.91 0.00 0.00 41 F 9.67 4.96 0.00 2.88 2.93 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 42 L 9.07 5.03 0.00 1.25 1.31 -0.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.32 4.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 44 I 8.09 4.82 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.22 0.96 0.00 0.00 45 N 10.54 4.45 0.00 2.99 2.78 0.00 0.00 6.44 7.76 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 46 A 8.69 4.03 1.30 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 0.00 0.00 0.00 47 D 7.96 4.43 0.00 2.81 2.83 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 48 G 8.17 3.98 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 0.00 0.00 0.00 49 S 9.70 4.37 0.00 3.82 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.96 2.02 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 0.63 0.00 0.00 0.87 0.00 0.00 51 Y 8.59 5.11 0.00 3.02 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 52 A 8.67 5.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.15 4.82 0.00 2.02 1.88 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 2.38 2.58 0.00 54 E 8.81 5.18 0.00 2.01 1.86 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 2.25 2.51 0.00 55 V 8.79 4.63 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 0.79 0.00 0.00 0.93 0.00 0.00 56 K 8.54 4.75 0.00 1.76 1.71 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.52 7.81 57 P 0.00 4.53 0.00 2.06 2.00 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 58 F 8.40 4.69 0.00 2.94 2.88 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 59 P 0.00 3.96 0.00 1.88 1.21 0.00 3.61 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 60 S 8.37 4.27 0.00 3.86 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