NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2902 8.1233 122.4581 51.7867 20.8354 175.7668 2 D 4.4280 8.4740 120.3885 53.3314 40.6949 175.8034 3 C 4.4819 9.2766 124.7725 59.6313 41.8020 174.1138 4 A 4.7251 7.2467 117.7933 50.6633 22.3389 175.1239 5 K 4.7425 8.8529 121.1623 53.7284 35.4115 176.0574 6 G 4.0211 7.9125 113.5489 46.1451 0.0000 171.4417 7 K 5.0010 8.0857 119.2748 55.1101 33.4005 177.2834 8 I 4.1789 8.0922 122.8111 60.8334 37.6959 175.9339 9 E 4.3132 9.1622 128.4915 59.0608 30.1813 176.3871 10 F 5.1285 7.3555 112.0328 56.0513 41.1117 172.9831 11 S 5.1460 8.6676 113.1841 56.9271 66.5361 173.1777 12 K 4.4708 8.1961 120.6769 55.6677 36.0898 173.4366 13 Y 5.3001 8.7634 128.4471 56.5015 40.8575 174.0945 14 N 4.9122 8.3700 123.9225 51.2927 41.0858 176.0496 15 E 3.8646 8.6507 120.2555 59.4903 29.6851 177.8724 16 D 4.5533 7.8315 116.1638 52.9180 39.4754 175.4077 17 D 4.7810 7.9711 116.2975 55.7385 40.0945 173.2078 18 T 5.1210 7.4441 106.0318 58.6369 72.9690 172.8424 19 F 5.5256 9.6551 125.3506 57.1604 42.1808 173.8015 20 T 5.3545 9.0633 123.6474 62.5070 70.6642 174.4751 21 V 4.6804 9.0909 117.7011 59.3938 36.5117 174.2593 22 K 4.6678 8.0484 124.4745 54.5936 34.3749 175.0810 23 V 4.4774 8.6288 127.2106 61.4820 34.8941 174.8398 24 D 4.4314 9.6893 127.2949 55.4646 39.4049 174.0107 25 G 3.9555 8.3167 102.8338 45.6371 0.0000 173.4169 26 K 4.5665 7.8859 118.6667 54.3042 36.1059 174.9426 27 E 4.8381 8.1939 122.3049 55.3485 31.6598 174.7047 28 Y 5.3771 8.8735 120.3758 56.2141 43.0485 174.0842 29 W 6.0618 8.8993 116.9663 55.6190 32.3356 173.7922 30 T 4.3749 9.5754 114.7817 60.6061 70.2480 174.1620 31 S 5.1339 8.7111 121.3214 58.3885 63.8721 173.8742 32 R 4.4298 8.0870 121.9247 55.4414 29.8117 177.7061 33 W 4.2725 8.9902 124.2431 59.5445 28.4674 178.3267 34 N 4.3354 8.4495 115.7622 56.3503 38.2544 176.6162 35 L 4.3231 7.9567 117.1033 56.4022 41.7172 179.1891 36 Q 2.9940 7.8065 119.3149 58.1519 28.5652 176.9081 37 P 4.2785 0.0000 0.0000 65.6773 31.2801 178.3590 38 L 3.7651 7.2689 115.9634 57.5721 41.4953 179.5252 39 L 4.3426 8.6886 119.2596 57.9334 41.6271 179.3519 40 Q 4.1539 8.7157 119.9940 59.3138 29.0105 178.3317 41 S 4.1331 8.5648 116.4391 61.6044 62.8655 176.5212 42 A 4.0919 8.3585 123.5876 55.1787 18.0130 179.4772 43 Q 3.9695 8.5707 118.6870 59.3029 29.0604 178.3270 44 L 4.2307 8.3596 119.2459 57.6478 40.8121 177.9430 45 T 4.4768 7.7681 109.0833 60.5706 69.3625 174.5946 46 G 3.9076 7.7388 109.4331 46.9945 0.0000 174.1309 47 M 4.4351 8.0290 118.6871 55.2990 33.5962 175.7333 48 T 4.5888 9.0276 118.9423 62.9789 70.2049 174.3787 49 V 4.6526 8.7044 120.0000 59.7306 35.1183 175.1331 50 T 4.7677 8.3118 120.8431 61.6975 70.9371 173.5305 51 I 3.8922 8.1779 128.7560 60.7709 38.2577 175.6457 52 K 4.9407 8.4755 125.0981 54.9833 35.6529 175.4931 53 S 4.6443 8.5046 117.0042 57.1016 65.2916 174.5457 54 S 4.2789 8.8432 118.6339 60.7427 62.9852 174.9129 55 T 4.5814 7.5513 109.7452 59.8280 71.1704 173.4178 56 C 4.8234 8.5710 123.4376 55.3626 40.3024 172.6988 57 E 4.8723 8.2575 119.4808 55.3705 31.4285 175.2222 58 S 3.9989 8.6680 116.3162 59.7595 63.3355 174.6738 59 G 4.0554 8.4761 111.0937 46.3332 0.0000 173.8788 60 S 4.8156 7.6283 113.4354 57.0606 65.0870 174.0950 61 G 2.5762 8.2547 108.2097 45.7937 0.0000 172.6155 62 F 5.0011 7.7383 114.7605 55.1016 41.2528 174.6106 63 A 4.4536 8.3515 119.5989 52.1206 20.4571 175.2741 64 E 4.8967 8.2796 119.5243 55.6032 32.9755 174.8258 65 V 4.6931 8.3482 124.8265 60.6759 34.3461 172.9610 66 Q 4.5407 8.8457 125.9123 54.6237 31.3314 173.9358 67 F 5.2365 8.6909 122.6006 55.7704 41.9621 174.3411 68 N 5.1052 9.2578 120.3618 51.4032 42.0870 175.6131 69 N 4.4968 9.0507 119.7734 56.2009 39.0989 174.9974 70 D 4.3022 7.7536 121.1867 54.6142 42.0527 174.8975 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 A 8.12 4.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 4.43 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.28 4.48 0.00 2.38 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.25 4.73 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 4.74 0.00 1.62 1.58 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.35 7.81 6 G 7.91 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 7 K 8.09 5.00 0.00 1.66 1.77 0.00 1.81 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.71 1.31 7.81 8 I 8.09 4.18 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.96 0.00 0.00 9 E 9.16 4.31 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 10 F 7.36 5.13 0.00 3.06 3.10 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 0.00 0.00 0.00 0.00 11 S 8.67 5.15 0.00 3.28 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.20 4.47 0.00 1.90 1.74 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.35 7.81 13 Y 8.76 5.30 0.00 3.38 2.99 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 14 N 8.37 4.91 0.00 2.60 2.52 0.00 0.00 6.67 7.21 0.00 0.00 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 E 8.65 3.86 0.00 1.88 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 2.29 2.24 0.00 16 D 7.83 4.55 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.78 0.00 3.01 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 18 T 7.44 5.12 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 0.76 0.00 0.00 19 F 9.66 5.53 0.00 3.34 3.27 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 0.00 20 T 9.06 5.35 4.34 0.00 0.00 0.00 0.00 0.00 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 21 V 9.09 4.68 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 0.87 0.00 0.00 1.10 0.00 0.00 22 K 8.05 4.67 0.00 0.79 0.93 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 1.30 7.81 23 V 8.63 4.48 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 0.84 0.00 0.00 0.84 0.00 0.00 24 D 9.69 4.43 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 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 0.00 0.00 0.00 26 K 7.89 4.57 0.00 1.63 1.25 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.55 7.81 27 E 8.19 4.84 0.00 1.81 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 2.14 2.23 0.00 28 Y 8.87 5.38 0.00 2.69 2.86 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 29 W 8.90 6.06 0.00 3.68 3.27 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 0.00 30 T 9.58 4.37 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 31 S 8.71 5.13 0.00 4.22 4.06 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 0.00 0.00 0.00 0.00 32 R 8.09 4.43 0.00 1.84 1.90 0.00 3.29 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 33 W 8.99 4.27 0.00 3.32 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.45 4.34 0.00 2.78 2.90 0.00 0.00 7.20 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 35 L 7.96 4.32 0.00 1.87 1.81 0.89 1.16 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 36 Q 7.81 2.99 0.00 1.68 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 37 P 0.00 4.28 0.00 2.18 2.20 0.00 3.82 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 38 L 7.27 3.77 0.00 1.82 1.25 0.92 0.35 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 39 L 8.69 4.34 0.00 2.02 2.11 1.46 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.72 4.15 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 41 S 8.56 4.13 0.00 4.01 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.36 4.09 1.70 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 0.00 0.00 43 Q 8.57 3.97 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 44 L 8.36 4.23 0.00 1.81 1.82 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.77 4.48 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 1.26 0.00 0.00 46 G 7.74 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.03 4.44 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 48 T 9.03 4.59 4.29 0.00 0.00 0.00 0.00 0.00 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 49 V 8.70 4.65 1.68 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 0.80 0.00 0.00 0.83 0.00 0.00 50 T 8.31 4.77 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 1.08 0.00 0.00 51 I 8.18 3.89 1.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.07 -0.15 0.00 0.00 52 K 8.48 4.94 0.00 1.50 1.58 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.38 7.81 53 S 8.50 4.64 0.00 3.82 3.75 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 54 S 8.84 4.28 0.00 4.01 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 55 T 7.55 4.58 4.37 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 1.22 0.00 0.00 56 C 8.57 4.82 0.00 2.97 3.06 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 0.00 0.00 0.00 0.00 57 E 8.26 4.87 0.00 2.10 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 2.29 2.27 0.00 58 S 8.67 4.00 0.00 3.85 3.75 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 59 G 8.48 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.63 4.82 0.00 4.05 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 0.00 61 G 8.25 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 0.00 0.00 0.00 62 F 7.74 5.00 0.00 2.85 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 63 A 8.35 4.45 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.28 4.90 0.00 2.01 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 2.23 2.28 0.00 65 V 8.35 4.69 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 0.78 0.00 0.00 0.30 0.00 0.00 66 Q 8.85 4.54 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 67 F 8.69 5.24 0.00 2.95 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 68 N 9.26 5.11 0.00 2.65 2.66 0.00 0.00 6.65 6.79 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 69 N 9.05 4.50 0.00 2.73 2.90 0.00 0.00 6.76 8.06 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 70 D 7.75 4.30 0.00 2.61 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00