NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.3277 8.2798 120.4648 63.4276 33.0662 173.6568 3 R 4.2985 7.8534 119.5114 55.5678 32.3626 171.1353 4 D 5.1667 8.5940 120.5156 52.6501 43.4664 176.9560 5 A 4.1004 7.5105 122.5282 51.2882 23.8825 174.7581 6 Y 4.8086 8.1444 116.9323 56.9205 38.7727 175.7245 7 I 4.2696 8.5566 125.0437 61.0067 38.9505 174.5825 8 A 5.3323 8.8937 128.6882 50.1919 22.4257 175.0472 9 Q 4.5910 8.8774 116.6260 53.5384 31.5985 174.8972 10 N 4.2288 8.2496 116.0356 53.3686 38.9250 174.5811 11 Y 4.2952 8.5464 120.8663 56.7619 39.7734 175.3270 12 N 4.2323 8.7272 125.9278 55.2027 37.2925 174.1223 13 C 4.9739 7.9978 114.4057 55.1232 43.7849 175.2924 14 V 4.3381 7.9887 116.3077 60.9620 32.8343 174.9026 15 Y 4.5496 8.3705 118.0402 56.8795 39.0600 175.6429 16 H 5.4578 9.0957 121.9681 55.6693 29.8880 173.5426 17 C 4.9951 8.6866 114.4381 54.9361 44.3413 173.2068 18 A 4.4967 8.7608 118.3337 51.1627 21.1219 176.9890 19 R 4.8991 7.7954 113.7288 54.2468 34.4227 176.5920 20 D 4.6309 8.7813 121.6927 57.3445 40.9515 178.8785 21 A 4.0186 8.0986 121.0092 55.3282 18.4188 178.8377 22 Y 4.0542 8.0686 117.3801 61.2183 38.9797 178.9129 23 C 3.9960 7.9169 116.2814 59.7701 41.4583 175.6079 24 N 4.2594 8.5000 119.1710 56.5768 38.5277 176.5831 25 E 3.8290 7.9982 120.6869 59.0667 29.3520 178.5166 26 L 3.6521 7.5101 120.2890 58.2414 42.0758 178.4026 27 C 4.0411 8.3426 117.0779 60.1960 41.1780 176.2639 28 T 3.9931 7.8455 112.7204 64.1011 68.1503 176.5336 29 K 4.1284 7.8796 119.8839 58.0011 32.0201 177.8415 30 N 4.8391 7.2662 115.4277 52.5878 38.9547 175.7005 31 G 3.8047 8.0435 108.3171 45.0790 0.0000 173.9451 32 A 4.7755 7.6897 121.7746 50.5597 19.7217 179.0426 33 K 4.0339 8.8380 121.4586 59.5289 32.9456 176.5857 34 S 4.5701 7.7546 112.2266 58.1267 66.2621 173.0507 35 G 4.5792 8.3319 105.3203 45.6575 0.0000 172.1952 36 S 4.7188 9.0342 115.1264 57.3355 67.2480 172.4937 37 C 5.3686 9.8224 121.7882 53.8514 40.8536 170.6513 38 P 4.5666 0.0000 0.0000 62.3735 32.4208 178.0420 39 Y 3.1062 8.8581 120.1509 60.4246 38.1260 175.6758 40 L 4.7993 8.3070 117.3817 52.0241 44.0671 176.6171 41 G 3.9767 8.0918 107.9171 45.4564 0.0000 171.4492 42 E 3.9116 8.6884 119.3424 58.6980 29.5676 176.8755 43 H 4.5788 7.4061 114.3587 53.3928 31.2406 173.2011 44 K 4.1310 8.6070 124.2462 57.2189 33.4794 177.0909 45 F 3.7712 7.9839 119.0997 58.3935 36.8120 174.6682 46 A 5.3283 7.7694 119.5272 50.2338 23.1014 176.9680 47 C 4.7962 9.3491 118.5082 57.3072 42.7131 172.1356 48 Y 4.6727 9.1827 125.3028 55.9692 40.9508 173.5648 49 C 5.2584 8.4599 124.2740 55.1662 43.2531 172.7672 50 K 4.7838 8.4257 121.3205 54.8849 34.7295 176.1733 51 D 4.3481 8.8606 123.8955 55.1930 38.1097 173.6548 52 L 4.4059 7.9875 121.2877 53.3418 43.5885 174.0154 53 P 4.4133 0.0000 0.0000 62.3645 31.8486 177.1109 54 D 4.3977 8.8076 122.2270 56.2151 39.0796 177.1899 55 N 4.5670 7.9548 114.5869 53.2009 38.0831 175.1549 56 V 3.8349 7.6167 120.6018 61.6094 32.3881 173.6817 57 P 4.5991 0.0000 0.0000 62.9966 32.2184 175.1643 58 I 5.0740 8.1660 115.5083 58.6578 41.0999 174.7014 59 R 4.3184 8.7551 124.2641 56.4461 30.2866 176.0994 60 V 4.5756 8.7419 119.1700 58.2082 35.0340 173.5147 61 P 4.2199 0.0000 0.0000 63.4858 31.4402 175.6803 62 G 4.2847 8.4347 106.8673 42.8303 0.0000 172.9297 63 K 4.2237 8.1307 121.8652 55.3473 32.9709 177.0291 64 C 4.8549 8.9271 125.8647 56.3544 43.3910 172.8797 65 H 4.5107 9.0122 121.5843 56.0365 28.2246 173.0179 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 2 V 8.28 4.33 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 1.04 0.00 0.00 0.91 0.00 0.00 3 R 7.85 4.30 0.00 1.92 1.95 0.00 2.96 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 4 D 8.59 5.17 0.00 2.56 2.41 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 5 A 7.51 4.10 1.13 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 0.00 0.00 6 Y 8.14 4.81 0.00 3.04 2.98 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 7 I 8.56 4.27 1.80 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.81 0.00 0.00 8 A 8.89 5.33 1.26 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 0.00 0.00 9 Q 8.88 4.59 0.00 1.83 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.94 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 10 N 8.25 4.23 0.00 1.97 1.42 0.00 0.00 6.70 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.55 4.30 0.00 2.70 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 12 N 8.73 4.23 0.00 3.04 2.91 0.00 0.00 6.90 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 13 C 8.00 4.97 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 14 V 7.99 4.34 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 0.52 0.00 0.00 0.68 0.00 0.00 15 Y 8.37 4.55 0.00 2.94 3.11 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 16 H 9.10 5.46 0.00 3.08 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.69 5.00 0.00 3.18 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.76 4.50 1.26 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 0.00 0.00 19 R 7.80 4.90 0.00 1.95 1.90 0.00 3.19 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 20 D 8.78 4.63 0.00 2.74 2.76 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 0.00 0.00 0.00 0.00 21 A 8.10 4.02 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 22 Y 8.07 4.05 0.00 3.12 3.22 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 0.00 0.00 0.00 0.00 23 C 7.92 4.00 0.00 3.29 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 24 N 8.50 4.26 0.00 2.92 2.90 0.00 0.00 6.83 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 25 E 8.00 3.83 0.00 2.05 1.96 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 2.22 2.27 0.00 26 L 7.51 3.65 0.00 1.08 1.32 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.34 4.04 0.00 2.89 3.05 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 0.00 0.00 0.00 0.00 28 T 7.85 3.99 4.19 0.00 0.00 0.00 0.00 0.00 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 29 K 7.88 4.13 0.00 1.85 1.85 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.64 7.81 30 N 7.27 4.84 0.00 2.78 2.73 0.00 0.00 7.12 7.53 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 31 G 8.04 3.80 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 0.00 0.00 0.00 32 A 7.69 4.78 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.84 4.03 0.00 1.73 1.96 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.36 7.81 34 S 7.75 4.57 0.00 3.87 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 35 G 8.33 4.58 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 36 S 9.03 4.72 0.00 4.06 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 37 C 9.82 5.37 0.00 3.25 3.34 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 0.00 38 P 0.00 4.57 0.00 2.41 2.12 0.00 4.21 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.92 0.00 39 Y 8.86 3.11 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 40 L 8.31 4.80 0.00 1.57 1.53 0.92 0.81 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 41 G 8.09 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 42 E 8.69 3.91 0.00 2.01 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 0.00 2.14 2.30 0.00 43 H 7.41 4.58 0.00 1.80 2.76 0.00 5.75 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 44 K 8.61 4.13 0.00 1.85 1.78 0.00 1.95 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.44 7.81 45 F 7.98 3.77 0.00 3.23 3.16 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 46 A 7.77 5.33 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 47 C 9.35 4.80 0.00 3.03 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 48 Y 9.18 4.67 0.00 2.78 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 0.00 49 C 8.46 5.26 0.00 2.63 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 0.00 50 K 8.43 4.78 0.00 1.64 1.64 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 51 D 8.86 4.35 0.00 2.89 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 52 L 7.99 4.41 0.00 1.55 1.52 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.41 0.00 2.24 1.93 0.00 3.62 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 2.21 2.04 0.00 54 D 8.81 4.40 0.00 2.77 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 55 N 7.95 4.57 0.00 2.85 2.97 0.00 0.00 5.99 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 56 V 7.62 3.83 2.14 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 0.78 0.00 0.00 0.96 0.00 0.00 57 P 0.00 4.60 0.00 2.19 2.19 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.99 0.00 58 I 8.17 5.07 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.96 0.00 0.00 59 R 8.76 4.32 0.00 1.85 1.95 0.00 3.48 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.60 0.00 60 V 8.74 4.58 2.12 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 0.82 0.00 0.00 1.04 0.00 0.00 61 P 0.00 4.22 0.00 2.06 2.03 0.00 3.70 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 2.06 2.14 0.00 62 G 8.43 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.13 4.22 0.00 1.74 1.72 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 64 C 8.93 4.85 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.01 4.51 0.00 3.36 3.32 0.00 5.35 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00