NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 5.0582 8.3698 121.0756 58.0021 39.0220 174.1354 2 D 4.3108 8.3491 124.9787 51.7797 40.2971 174.8630 3 G 3.9720 9.1493 107.9218 46.8111 0.0000 175.7771 4 T 4.2273 7.9596 115.7377 63.4321 69.4430 175.0311 5 K 4.3170 7.7080 119.6786 55.0950 31.5212 174.8387 6 C 4.9699 8.3885 121.7686 55.0286 41.5870 174.5997 7 K 3.9911 8.7782 125.0044 59.1377 32.1352 176.5106 8 A 4.5682 7.5115 118.9125 50.2665 22.2878 174.5280 9 A 4.2180 8.5040 122.5142 53.6954 18.5562 177.8080 10 G 3.9533 9.0854 110.6228 46.2424 0.0000 173.8182 11 N 4.8942 8.1006 118.7821 51.7845 39.3133 173.4062 12 C 5.1502 8.4733 116.8805 55.5745 41.9033 174.3024 13 W 4.2146 8.2203 130.2789 57.2904 30.7190 175.0014 14 E 3.8546 5.9000 123.0670 53.1065 32.7957 173.5570 15 P 3.6490 0.0000 0.0000 62.0065 32.3955 176.4212 16 K 4.2384 8.1059 118.9808 55.0990 32.8889 174.8515 17 P 4.3653 0.0000 0.0000 64.8782 31.3854 177.1134 18 G 3.8868 9.2049 111.6470 45.0299 0.0000 172.7414 19 F 4.8774 8.1374 118.6524 54.7108 41.0363 174.0427 20 P 4.6155 0.0000 0.0000 62.5391 31.9879 176.1667 21 E 4.4053 8.7360 119.8988 57.9575 30.0152 176.9286 22 K 4.7234 7.9143 117.1296 54.5228 35.5126 175.9499 23 I 4.2029 8.3160 115.3147 61.5034 38.6690 175.7073 24 A 4.2809 7.8905 124.6860 53.5820 18.5066 177.9726 25 G 3.9618 9.4969 111.3910 45.6084 0.0000 173.8896 26 S 4.5425 7.8589 115.1571 56.6858 64.9547 174.7712 27 K 3.8184 8.2745 120.2786 59.2906 31.8568 176.9539 28 Y 4.6835 7.4261 114.5975 57.4950 37.8857 174.8840 29 D 4.4853 7.6347 120.7664 53.8598 41.4476 174.7617 30 P 4.2327 0.0000 0.0000 63.5884 31.8372 176.4486 31 K 3.8216 8.0756 116.0271 57.5545 29.8330 175.6697 32 H 4.3680 7.9193 114.6423 55.7477 29.8019 175.7994 33 D 4.5909 8.6589 123.5080 52.9032 42.1908 175.3123 34 P 4.3120 0.0000 0.0000 66.0404 30.8595 178.5505 35 K 4.0415 8.1776 117.6937 59.1480 32.2662 178.9279 36 E 4.1010 7.9633 118.5140 59.4638 29.3640 178.9559 37 L 3.9839 7.6674 117.6249 57.9019 41.8850 178.7805 38 N 4.6004 8.1009 114.0834 54.2098 38.6657 177.3100 39 K 3.9418 7.9159 121.0997 59.5068 32.1390 178.9131 40 Q 3.9417 8.0843 117.4507 59.0117 28.7076 178.5915 41 A 3.9956 7.9947 121.0896 55.4125 18.3937 179.2356 42 D 4.3096 7.9256 117.1557 57.4736 40.7724 179.1800 43 S 4.1069 8.0290 115.5803 61.8327 62.8315 176.7923 44 I 3.6839 7.7164 122.3843 64.1426 36.8929 178.3821 45 K 3.8972 8.0270 120.4186 59.7761 32.0821 178.9472 46 Q 4.0137 8.2201 118.2713 59.1023 28.5406 178.6782 47 M 4.0497 8.3723 120.0673 58.5071 32.0639 178.5509 48 E 3.9954 8.4625 119.0369 59.4760 29.4825 179.1869 49 E 3.9477 8.1554 119.0478 59.2509 29.5877 179.0114 50 R 3.8914 8.1066 118.1917 59.3497 30.0388 178.8402 51 N 4.4040 8.6176 116.7455 55.9934 38.4164 177.6199 52 K 3.9909 7.9482 120.0587 59.4752 32.1740 179.4806 53 K 3.9394 7.8511 118.4629 59.3401 31.9085 179.6911 54 R 3.5830 7.5737 118.3497 59.2388 29.9323 179.3610 55 V 3.8677 8.2172 118.4353 66.0445 31.4767 177.9430 56 E 3.9640 8.4983 118.6921 59.3700 29.3041 178.8061 57 N 4.2645 8.1124 117.1013 56.4615 39.0070 176.6168 58 F 4.5730 8.3202 122.0244 61.4597 39.3409 177.0400 59 K 3.6275 8.0695 116.7942 59.4237 31.9509 179.2587 60 K 4.1000 7.9967 117.4037 59.7484 32.1801 179.2297 61 T 4.2129 8.2790 108.6788 62.2369 69.2044 175.9429 62 G 3.9482 8.9109 108.9074 44.9277 0.0000 172.9992 63 K 4.7277 7.9007 118.4253 54.1980 34.8706 175.7956 64 F 3.9096 8.8495 126.5825 57.5006 39.9395 173.9576 65 E 4.5290 7.5299 127.6712 54.4732 31.2693 174.6357 66 Y 4.1043 8.7993 127.9721 59.6465 39.5272 174.5480 67 D 4.5357 8.6458 120.2230 52.8310 40.8083 176.5137 68 V 3.4370 8.2895 127.8197 65.8593 31.6296 177.8886 69 A 4.0842 8.0245 121.1966 54.1333 18.2657 177.9355 70 K 4.4023 7.8675 113.9219 56.1881 32.4327 176.3372 71 I 4.2429 7.2971 120.4576 61.3769 38.7865 176.1596 72 S 4.4418 8.6372 118.6163 59.2759 59.3675 169.3973 73 A 4.0511 7.7885 126.5652 52.8157 18.3945 177.8045 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 Y 8.37 5.06 0.00 2.66 2.87 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 2 D 8.35 4.31 0.00 2.76 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 3 G 9.15 3.97 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 0.00 0.00 0.00 4 T 7.96 4.23 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 5 K 7.71 4.32 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.70 1.53 7.81 6 C 8.39 4.97 0.00 2.98 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 7 K 8.78 3.99 0.00 1.80 1.90 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.43 7.81 8 A 7.51 4.57 1.24 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 0.00 0.00 0.00 9 A 8.50 4.22 1.27 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 0.00 0.00 10 G 9.09 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 0.00 0.00 0.00 11 N 8.10 4.89 0.00 2.74 2.69 0.00 0.00 7.01 6.96 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 12 C 8.47 5.15 0.00 3.08 3.13 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 13 W 8.22 4.21 0.00 3.21 3.09 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 0.00 0.00 0.00 0.00 14 E 5.90 3.85 0.00 1.43 1.33 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 2.12 2.22 0.00 15 P 0.00 3.65 0.00 2.33 2.07 0.00 3.22 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 16 K 8.11 4.24 0.00 1.77 1.85 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.39 7.81 17 P 0.00 4.37 0.00 2.10 2.06 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 18 G 9.20 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 0.00 0.00 0.00 19 F 8.14 4.88 0.00 3.18 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 20 P 0.00 4.62 0.00 2.57 2.16 0.00 4.19 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 21 E 8.74 4.41 0.00 2.02 2.11 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 2.49 2.49 0.00 22 K 7.91 4.72 0.00 1.76 1.69 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.48 7.81 23 I 8.32 4.20 2.01 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 1.35 1.27 1.05 0.00 0.00 24 A 7.89 4.28 1.27 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 0.00 0.00 25 G 9.50 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 S 7.86 4.54 0.00 4.01 4.09 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 0.00 0.00 0.00 0.00 27 K 8.27 3.82 0.00 1.47 1.34 0.00 0.61 0.00 0.00 1.33 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.82 1.18 7.81 28 Y 7.43 4.68 0.00 3.15 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 29 D 7.63 4.49 0.00 2.89 2.60 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 0.00 0.00 0.00 30 P 0.00 4.23 0.00 1.67 1.79 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 31 K 8.08 3.82 0.00 1.90 1.87 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.53 7.81 32 H 7.92 4.37 0.00 3.13 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.66 4.59 0.00 2.80 2.56 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 34 P 0.00 4.31 0.00 2.30 2.31 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 35 K 8.18 4.04 0.00 1.95 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.62 7.81 36 E 7.96 4.10 0.00 2.16 1.97 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 2.56 2.34 0.00 37 L 7.67 3.98 0.00 1.77 1.73 0.93 0.93 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 38 N 8.10 4.60 0.00 2.77 2.84 0.00 0.00 6.98 6.28 0.00 0.00 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 K 7.92 3.94 0.00 1.93 1.86 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.79 7.81 40 Q 8.08 3.94 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 41 A 7.99 4.00 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 42 D 7.93 4.31 0.00 2.90 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 43 S 8.03 4.11 0.00 4.03 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 44 I 7.72 3.68 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 0.85 0.91 0.00 0.00 45 K 8.03 3.90 0.00 1.91 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 46 Q 8.22 4.01 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 47 M 8.37 4.05 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 48 E 8.46 4.00 0.00 2.20 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 2.34 2.43 0.00 49 E 8.16 3.95 0.00 2.21 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 2.29 2.34 0.00 50 R 8.11 3.89 0.00 2.00 1.85 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 51 N 8.62 4.40 0.00 2.85 2.91 0.00 0.00 7.01 7.23 0.00 0.00 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 K 7.95 3.99 0.00 2.03 1.85 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.63 7.81 53 K 7.85 3.94 0.00 1.81 1.79 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.67 7.81 54 R 7.57 3.58 0.00 1.97 1.63 0.00 3.08 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 55 V 8.22 3.87 2.16 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 1.26 0.00 0.00 1.16 0.00 0.00 56 E 8.50 3.96 0.00 2.07 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 2.50 2.46 0.00 57 N 8.11 4.26 0.00 2.89 2.88 0.00 0.00 6.87 7.72 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 58 F 8.32 4.57 0.00 3.12 3.31 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 59 K 8.07 3.63 0.00 1.92 1.80 0.00 1.95 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.70 7.81 60 K 8.00 4.10 0.00 1.72 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 61 T 8.28 4.21 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 1.26 0.00 0.00 62 G 8.91 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 0.00 0.00 0.00 63 K 7.90 4.73 0.00 1.83 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 64 F 8.85 3.91 0.00 2.06 2.68 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 0.00 0.00 0.00 0.00 65 E 7.53 4.53 0.00 1.82 1.61 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 2.12 2.39 0.00 66 Y 8.80 4.10 0.00 3.26 3.07 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 67 D 8.65 4.54 0.00 2.80 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 68 V 8.29 3.44 1.97 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 0.85 0.00 0.00 0.77 0.00 0.00 69 A 8.02 4.08 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 70 K 7.87 4.40 0.00 1.87 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.57 7.81 71 I 7.30 4.24 1.99 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.92 0.00 0.00 72 S 8.64 4.44 0.00 3.89 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 0.00 73 A 7.79 4.05 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