NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5003 8.1133 121.1215 56.2481 32.1364 173.6680 2 I 4.7458 9.0227 127.0853 59.3885 39.5820 172.7544 3 C 5.1869 9.7983 124.9283 54.7724 44.8978 173.5346 4 F 4.9854 8.9419 120.5270 57.6517 39.3228 175.2189 5 N 5.4488 9.3379 116.4502 52.1158 39.0094 174.2312 6 H 4.6025 8.4430 114.3911 55.4792 29.9635 174.6988 7 Q 4.4699 8.4190 119.6996 56.4622 30.9212 177.9846 8 S 3.5674 8.3666 117.2665 60.0681 63.5919 173.8183 9 S 4.6384 8.7258 122.7718 59.1606 62.6343 173.7357 10 Q 4.2408 8.0561 120.6497 54.6541 29.0773 174.3878 11 P 4.2754 0.0000 0.0000 62.5555 31.8267 176.8640 12 Q 3.4583 8.3244 121.3704 56.2985 29.3427 175.8861 13 T 5.0210 8.3043 111.1857 60.3381 72.7391 172.4519 14 T 5.2409 8.4488 111.4212 60.0446 72.4669 172.6489 15 K 4.6642 9.0695 122.5827 55.0431 36.2224 174.8417 16 T 4.6662 8.3831 122.4126 62.4746 69.4174 175.6108 17 C 4.6710 9.1124 124.8758 56.2029 36.0376 174.0708 18 S 4.3765 8.5813 116.2658 57.9863 63.1010 172.7294 19 P 4.4645 0.0000 0.0000 63.9954 31.5523 177.3062 20 G 3.9192 8.9667 109.7066 45.0908 0.0000 172.7107 21 E 4.5369 7.7176 120.7996 54.6257 30.6721 175.4544 22 S 4.6584 8.6423 118.4070 57.7868 64.4498 172.9273 23 S 5.2402 8.5387 116.5492 57.0945 65.1456 171.9234 24 C 5.6819 9.1550 121.1883 55.3507 40.9101 172.5326 25 Y 5.5010 8.8671 118.2194 55.5077 41.9863 173.5406 26 N 5.3095 9.3469 118.3728 51.8197 42.4043 172.7354 27 K 5.2746 9.6703 127.8146 54.7564 35.4419 174.4190 28 Q 5.1174 9.4725 128.2079 54.4856 32.9356 174.0410 29 W 5.4984 8.2793 121.2975 55.9013 31.7284 173.0316 30 S 5.1499 8.9004 112.9067 57.4139 65.9223 173.0046 31 D 4.8210 8.8632 119.7401 52.1485 42.1526 175.5195 32 F 4.2280 9.1914 113.1585 60.2794 37.5419 176.7536 33 R 3.6796 7.4464 119.7071 57.0721 30.9063 176.1030 34 G 3.8057 7.3080 105.6682 44.4846 0.0000 173.1311 35 T 4.4301 8.2680 121.5312 63.1417 69.6236 174.3073 36 I 4.1688 8.2610 127.2847 58.4622 39.9260 174.6542 37 I 4.7879 7.7909 126.4533 59.2767 40.7857 173.7468 38 E 4.9744 9.4031 127.9830 54.4895 32.2020 174.8009 39 R 4.5827 8.0659 123.9283 54.6291 34.8690 175.1353 40 G 4.0017 6.7581 106.2574 46.8701 0.0000 171.5919 41 C 5.0295 9.1026 117.1882 57.0427 41.6793 174.1031 42 G 3.8315 10.5355 109.7852 45.1357 0.0000 173.1795 43 C 4.8055 7.9515 115.2957 54.6846 44.1201 172.1169 44 P 4.4446 0.0000 0.0000 61.8086 32.1999 176.5394 45 T 4.4229 7.9127 108.5293 60.4962 70.2373 174.1964 46 V 4.4801 7.7174 114.9977 59.0238 35.7742 175.7145 47 K 4.1710 8.1138 120.0522 55.4546 32.5710 175.3069 48 P 4.5253 0.0000 0.0000 64.1187 31.7474 175.9778 49 G 4.1557 8.9957 110.3973 45.6628 0.0000 174.0449 50 I 4.2199 7.4473 120.4375 60.7109 38.0550 176.2084 51 K 4.3632 8.9543 126.9022 55.9817 33.2318 175.7529 52 L 5.3130 8.5621 126.2659 53.3205 45.1734 175.3146 53 S 4.8533 9.2615 119.7319 56.7551 65.9785 171.8141 54 C 5.8324 8.9275 122.8244 55.4043 43.6701 172.1545 55 C 5.1272 9.3288 116.1389 53.1811 45.3377 173.5945 56 E 5.0953 8.7395 118.8190 54.3328 29.5595 175.1589 57 S 4.6933 7.6158 110.6286 56.2332 66.5188 173.5718 58 E 3.9311 8.7907 120.5797 58.6005 29.9112 177.9843 59 V 2.8969 8.2258 116.4126 62.3799 29.5125 172.0331 60 C 4.6469 7.9581 113.0769 56.2313 42.8296 173.5353 61 N 4.8490 7.9057 117.8576 52.9171 37.7841 174.4344 62 N 4.2045 8.3780 122.5973 54.9818 39.0216 174.1255 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 R 8.11 4.50 0.00 1.98 1.93 0.00 3.13 0.00 0.00 3.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 2 I 9.02 4.75 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.19 0.81 0.00 0.00 3 C 9.80 5.19 0.00 2.75 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 4 F 8.94 4.99 0.00 3.09 2.95 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 5 N 9.34 5.45 0.00 2.66 2.82 0.00 0.00 6.96 7.48 0.00 0.00 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 H 8.44 4.60 0.00 3.24 3.40 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 7 Q 8.42 4.47 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 5.80 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 8 S 8.37 3.57 0.00 3.77 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 9 S 8.73 4.64 0.00 3.78 3.79 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 10 Q 8.06 4.24 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 11 P 0.00 4.28 0.00 2.00 1.95 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 12 Q 8.32 3.46 0.00 2.00 2.07 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 1.72 2.09 0.00 13 T 8.30 5.02 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 1.29 0.00 0.00 14 T 8.45 5.24 4.17 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 1.01 0.00 0.00 15 K 9.07 4.66 0.00 1.77 1.61 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.40 7.81 16 T 8.38 4.67 4.23 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 1.20 0.00 0.00 17 C 9.11 4.67 0.00 2.81 3.03 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 0.00 0.00 0.00 18 S 8.58 4.38 0.00 3.89 3.79 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 19 P 0.00 4.46 0.00 2.06 1.98 0.00 3.94 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 20 G 8.97 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.72 4.54 0.00 1.97 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 0.00 2.28 2.38 0.00 22 S 8.64 4.66 0.00 4.00 4.03 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 0.00 0.00 0.00 23 S 8.54 5.24 0.00 3.94 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 24 C 9.15 5.68 0.00 2.88 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 25 Y 8.87 5.50 0.00 3.13 3.29 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 26 N 9.35 5.31 0.00 2.77 2.72 0.00 0.00 6.92 6.43 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 27 K 9.67 5.27 0.00 2.16 2.04 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.51 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.76 1.51 7.81 28 Q 9.47 5.12 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.22 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 29 W 8.28 5.50 0.00 3.43 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 S 8.90 5.15 0.00 3.83 3.82 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 31 D 8.86 4.82 0.00 3.07 3.01 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 0.00 0.00 0.00 32 F 9.19 4.23 0.00 3.20 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.45 3.68 0.00 1.47 1.70 0.00 2.88 0.00 0.00 2.93 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 34 G 7.31 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 35 T 8.27 4.43 4.12 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 0.00 0.00 0.00 1.08 0.00 0.00 36 I 8.26 4.17 0.56 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.53 0.12 0.00 0.00 37 I 7.79 4.79 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.85 0.00 0.00 38 E 9.40 4.97 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 39 R 8.07 4.58 0.00 1.68 1.71 0.00 2.93 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 40 G 6.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.10 5.03 0.00 3.05 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 42 G 10.54 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 43 C 7.95 4.81 0.00 2.94 2.96 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 44 P 0.00 4.44 0.00 1.98 1.77 0.00 3.41 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.00 45 T 7.91 4.42 4.20 0.00 0.00 0.00 0.00 0.00 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 46 V 7.72 4.48 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 0.73 0.00 0.00 0.99 0.00 0.00 47 K 8.11 4.17 0.00 1.72 1.67 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.39 7.81 48 P 0.00 4.53 0.00 2.03 1.98 0.00 3.61 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 2.01 2.07 0.00 49 G 9.00 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 50 I 7.45 4.22 2.03 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.56 1.10 0.00 0.00 51 K 8.95 4.36 0.00 1.81 1.78 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.44 7.81 52 L 8.56 5.31 0.00 1.62 1.52 0.96 0.94 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 53 S 9.26 4.85 0.00 3.93 3.68 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 54 C 8.93 5.83 0.00 2.89 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 55 C 9.33 5.13 0.00 2.95 3.15 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 56 E 8.74 5.10 0.00 1.92 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 2.18 2.44 0.00 57 S 7.62 4.69 0.00 3.95 3.76 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 58 E 8.79 3.93 0.00 1.93 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 2.29 2.26 0.00 59 V 8.23 2.90 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 0.06 0.00 0.00 0.79 0.00 0.00 60 C 7.96 4.65 0.00 3.11 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 61 N 7.91 4.85 0.00 2.94 2.97 0.00 0.00 6.03 8.04 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 62 N 8.38 4.20 0.00 2.07 2.65 0.00 0.00 7.07 7.56 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