NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.6027 8.4244 119.2052 53.4200 39.8788 176.4386 11 V 4.0668 8.4097 118.0784 59.6104 32.8770 172.6766 12 Q 4.2013 9.4318 130.6642 55.2600 30.5778 175.8937 13 R 4.1273 8.4679 124.3305 55.3748 32.2651 175.4770 14 P 4.1958 0.0000 0.0000 66.3228 31.1967 179.1235 15 L 3.9378 7.8125 115.2810 57.6140 41.8690 178.7869 16 D 4.6275 8.0950 118.3597 56.9360 41.0436 178.3946 17 A 4.2227 8.4905 121.6773 54.8125 18.3153 179.3892 18 L 3.9437 7.9175 119.1838 57.9680 42.0908 179.2445 19 G 4.0229 8.1796 105.6602 47.6393 0.0000 175.2411 20 N 4.5433 8.0095 117.7273 55.5209 38.7667 175.8458 21 S 4.6600 7.9711 115.2369 57.9044 63.3950 173.9308 22 L 4.4212 7.6491 121.5503 56.3473 41.6785 176.7216 23 N 4.3559 9.6944 120.0356 54.1989 36.7960 174.0432 24 S 5.0387 7.8408 113.6809 55.6864 66.9256 171.7870 25 P 4.9914 0.0000 0.0000 63.2240 32.1130 175.7591 26 V 5.1160 9.1301 115.2825 58.8142 37.0024 174.0365 27 I 4.9797 9.1303 122.3684 59.7314 40.2127 174.8928 28 I 4.7870 9.1473 128.2330 59.3786 39.8745 174.3450 29 K 4.7023 8.2803 129.1471 54.8145 33.5048 175.6573 30 L 5.0088 8.6330 127.5449 52.7458 44.5047 176.3023 31 K 3.9642 8.6669 121.0044 58.0738 32.7307 178.0498 32 G 3.8366 8.6807 110.4584 44.9571 0.0000 174.3597 33 D 4.4898 7.7004 116.9039 54.3015 39.4769 174.2074 34 R 4.1359 7.3112 119.3381 56.4611 31.4758 174.8555 35 E 5.1899 8.1771 123.0055 54.7120 33.7911 173.9170 36 F 5.4124 9.1007 122.5494 55.8703 44.0583 173.7738 37 R 5.0760 9.0487 117.6074 54.5328 33.3176 174.8123 38 G 4.0823 8.0696 106.1628 46.6879 0.0000 171.1109 39 V 4.7038 7.7799 120.2794 61.1318 33.0751 175.3033 40 L 4.2859 8.8140 131.0418 55.6594 42.1709 177.0911 41 K 4.0598 9.0184 127.5120 58.3735 33.4940 176.8040 42 S 4.6439 7.7873 112.1909 58.2213 65.8193 174.4395 43 F 5.8314 8.0638 114.2890 57.4753 40.5145 171.9388 44 D 4.9810 8.4818 117.5704 51.3379 42.3133 176.0847 45 L 4.0766 8.4537 117.7047 57.6742 41.2415 177.9545 46 H 4.5291 8.4786 115.0357 55.9820 28.9843 176.0683 47 M 3.3254 8.3866 118.4797 55.8481 31.4064 176.0554 48 N 4.9867 8.1281 114.3892 53.3338 40.0622 173.7819 49 L 5.2180 8.9362 121.1376 54.6506 45.0533 174.5257 50 V 4.8260 8.8684 119.3945 61.1477 34.0972 174.1283 51 L 5.2984 8.7447 127.4387 53.1525 44.8577 175.4260 52 N 5.0994 8.9723 119.4325 51.6198 41.7932 174.2015 53 D 4.5509 8.5909 116.9566 55.3401 38.9115 174.0575 54 A 4.6962 8.1703 120.0421 51.9110 20.2937 177.6431 55 E 5.1012 9.0674 120.3682 54.5330 34.1249 174.3894 56 E 4.1476 8.9254 125.3067 55.2516 30.9510 175.1370 57 L 4.9661 8.1331 127.0293 53.3665 44.5750 176.6571 58 E 4.1490 8.7875 122.4701 55.7271 31.2644 174.7466 59 D 4.2130 9.5239 129.3537 55.5293 38.1709 174.5027 60 G 3.9264 8.0622 100.7038 46.0280 0.0000 172.0090 61 E 4.5014 7.8518 119.0468 53.6527 32.2050 175.5354 62 V 4.0034 8.4776 124.2606 63.6840 31.9147 175.3482 63 T 4.3320 8.8837 124.7988 65.5181 69.6034 175.2538 64 R 4.6915 7.6672 119.0752 54.9679 34.0241 173.8738 65 R 4.9505 8.5750 122.6311 54.7337 31.6580 175.5201 66 L 4.3470 9.4225 124.3915 53.5984 43.2744 178.8304 67 G 3.9901 8.3238 106.2407 45.6985 0.0000 173.2234 68 T 4.7581 8.3394 121.0958 63.3475 69.3937 174.3833 69 V 4.4807 9.0178 124.8255 59.8197 35.3867 174.0364 70 L 5.0039 8.4896 124.7149 53.7209 43.4620 175.2100 71 I 4.2611 8.4710 128.4262 59.4814 39.4125 175.4533 72 R 4.3864 8.5003 127.6416 55.6709 30.7443 177.3410 73 G 3.8084 9.9536 115.1621 47.9082 0.0000 175.0232 74 D 4.4118 8.0250 118.1138 55.6511 39.5632 176.8352 75 N 4.5742 8.0696 116.8094 54.2004 39.0653 174.9885 76 I 4.1799 7.5060 120.2609 61.2072 37.9769 175.4163 77 V 4.2515 8.5930 125.7508 64.5458 32.3524 175.1362 78 Y 4.9686 7.0371 115.9315 56.0825 41.4771 172.8608 79 I 5.2538 8.5368 120.2741 59.6726 40.3389 175.1010 80 S 4.8627 9.3478 121.2753 56.0173 67.0969 174.4533 81 R 4.0921 8.3816 119.0430 56.7218 29.9644 176.0909 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 10 N 8.42 4.60 0.00 2.70 2.12 0.00 0.00 6.72 6.83 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 11 V 8.41 4.07 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 12 Q 9.43 4.20 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 13 R 8.47 4.13 0.00 1.87 1.84 0.00 3.38 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 14 P 0.00 4.20 0.00 2.13 2.10 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 15 L 7.81 3.94 0.00 1.64 1.83 0.90 1.01 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 16 D 8.09 4.63 0.00 2.85 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 17 A 8.49 4.22 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 18 L 7.92 3.94 0.00 1.58 1.29 0.72 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.18 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 20 N 8.01 4.54 0.00 2.92 2.92 0.00 0.00 6.94 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.97 4.66 0.00 4.03 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 22 L 7.65 4.42 0.00 1.81 1.65 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.69 4.36 0.00 2.82 2.94 0.00 0.00 6.80 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.84 5.04 0.00 3.88 3.73 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 25 P 0.00 4.99 0.00 2.09 2.07 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 26 V 9.13 5.12 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 1.19 0.00 0.00 1.03 0.00 0.00 27 I 9.13 4.98 1.99 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 1.28 0.88 1.04 0.00 0.00 28 I 9.15 4.79 1.95 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 1.16 1.32 0.87 0.00 0.00 29 K 8.28 4.70 0.00 0.92 0.74 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 1.22 7.81 30 L 8.63 5.01 0.00 1.68 1.67 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.67 3.96 0.00 1.71 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 32 G 8.68 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 33 D 7.70 4.49 0.00 2.84 2.81 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 34 R 7.31 4.14 0.00 2.01 1.88 0.00 3.33 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.31 0.00 35 E 8.18 5.19 0.00 1.94 1.56 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 2.21 2.39 0.00 36 F 9.10 5.41 0.00 3.04 2.89 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 37 R 9.05 5.08 0.00 1.87 2.00 0.00 2.87 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 38 G 8.07 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 0.00 0.00 0.00 0.00 39 V 7.78 4.70 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 0.95 0.00 0.00 40 L 8.81 4.29 0.00 1.87 1.82 1.07 0.50 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 41 K 9.02 4.06 0.00 1.76 1.84 0.00 1.83 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.60 7.81 42 S 7.79 4.64 0.00 3.71 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 43 F 8.06 5.83 0.00 3.05 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 44 D 8.48 4.98 0.00 2.86 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 45 L 8.45 4.08 0.00 1.59 1.77 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.48 4.53 0.00 3.40 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.39 3.33 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 48 N 8.13 4.99 0.00 3.00 2.74 0.00 0.00 6.54 6.74 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 49 L 8.94 5.22 0.00 1.92 1.81 0.91 0.87 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 50 V 8.87 4.83 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 1.01 0.00 0.00 0.93 0.00 0.00 51 L 8.74 5.30 0.00 1.62 1.54 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.97 5.10 0.00 2.67 2.71 0.00 0.00 7.07 7.74 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 53 D 8.59 4.55 0.00 2.81 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 54 A 8.17 4.70 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 55 E 9.07 5.10 0.00 1.90 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 2.24 2.41 0.00 56 E 8.93 4.15 0.00 1.75 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 57 L 8.13 4.97 0.00 1.39 1.48 0.87 0.69 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 58 E 8.79 4.15 0.00 1.86 1.73 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 2.13 2.37 0.00 59 D 9.52 4.21 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.06 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 61 E 7.85 4.50 0.00 2.19 1.80 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 2.19 2.33 0.00 62 V 8.48 4.00 2.06 0.00 0.00 0.00 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 0.92 0.00 0.00 63 T 8.88 4.33 4.27 0.00 0.00 0.00 0.00 0.00 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 64 R 7.67 4.69 0.00 1.83 1.70 0.00 3.17 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 65 R 8.58 4.95 0.00 1.71 1.83 0.00 3.24 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 66 L 9.42 4.35 0.00 1.54 1.75 1.22 1.06 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 67 G 8.32 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.34 4.76 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 1.21 0.00 0.00 69 V 9.02 4.48 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 0.63 0.00 0.00 0.79 0.00 0.00 70 L 8.49 5.00 0.00 1.61 1.57 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.47 4.26 1.76 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.26 0.78 0.00 0.00 72 R 8.50 4.39 0.00 1.81 1.77 0.00 3.17 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.76 0.00 73 G 9.95 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 74 D 8.03 4.41 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 75 N 8.07 4.57 0.00 2.89 2.87 0.00 0.00 6.85 7.32 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 76 I 7.51 4.18 1.95 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 1.13 0.50 0.90 0.00 0.00 77 V 8.59 4.25 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 0.89 0.00 0.00 0.95 0.00 0.00 78 Y 7.04 4.97 0.00 3.05 3.02 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 79 I 8.54 5.25 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.92 0.00 0.00 80 S 9.35 4.86 0.00 3.84 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 81 R 8.38 4.09 0.00 1.92 1.82 0.00 3.47 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00