NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9699 8.3544 109.7375 45.4943 0.0000 173.3863 3 E 4.2213 8.6547 122.3242 56.7600 31.0131 173.8797 4 L 4.1406 8.5027 119.6863 53.6440 42.9218 175.2075 5 P 4.4387 0.0000 0.0000 63.0376 32.2644 177.0087 6 I 4.0082 8.3440 120.7297 63.9901 37.3911 178.2284 7 A 4.0124 8.0122 121.1762 55.0217 18.1555 177.7853 8 P 4.2104 0.0000 0.0000 65.6327 31.4781 179.0681 9 V 3.5999 7.7227 116.6791 65.8610 31.5661 177.2284 10 D 4.3323 8.2071 117.8316 57.6935 40.9927 178.6214 11 R 3.9662 8.1473 118.3256 59.2661 29.7878 179.0657 12 L 4.0067 7.7098 118.0525 57.7385 41.9642 179.3541 13 I 3.8931 7.6726 119.8942 64.3122 37.1672 178.4080 14 R 4.1970 7.8210 120.8888 58.8257 29.6631 178.6694 15 K 4.1110 8.1059 117.3293 58.6376 32.1716 178.3009 16 A 4.3114 7.5025 118.7838 52.0391 18.6710 177.2098 17 G 3.7816 7.6243 104.2560 45.1954 0.0000 174.9105 18 A 4.0929 8.0492 124.1996 52.2785 19.0846 177.8965 19 E 4.1035 8.7743 122.9756 58.0328 30.3149 176.9152 20 R 4.7301 7.6061 114.6119 54.2062 34.1066 174.4221 21 V 4.4090 8.0956 119.6806 60.2107 34.4881 176.1744 22 S 4.3463 8.4786 122.0490 57.9448 65.1963 174.6667 23 E 3.9138 8.7433 124.2835 59.9907 29.3604 179.4717 24 Q 4.0456 8.0876 117.0715 58.5447 28.8172 178.3453 25 A 3.9609 8.3459 122.1334 55.1478 18.4885 179.5282 26 A 3.9672 7.8386 118.8481 55.0435 18.3426 179.7798 27 K 3.8779 7.9750 117.8410 59.6210 32.2455 179.1379 28 V 3.5934 8.1170 118.8847 65.9600 31.4445 177.6241 29 L 4.0144 8.0490 119.7396 58.2359 41.9348 178.7336 30 A 4.0610 8.1474 120.6487 55.1460 18.3748 179.2528 31 E 3.8721 8.5856 118.1301 59.6053 29.6832 178.4274 32 Y 4.1017 8.4164 119.9401 60.7422 38.8185 177.9840 33 L 3.8187 8.4898 120.3410 57.4649 41.6407 179.1960 34 E 3.8655 8.0066 119.5027 59.3256 29.5730 178.5635 35 E 3.9334 8.0185 119.1839 59.1558 29.6037 178.0895 36 Y 4.1107 7.9273 119.7898 60.4947 38.8242 177.7360 37 A 3.7480 8.2564 122.1064 55.1636 18.4617 179.5981 38 I 3.5668 7.7412 118.1953 64.4004 37.3235 178.0177 39 E 3.8911 8.3723 120.3669 59.5737 29.4601 178.9962 40 I 3.6576 7.6450 119.3595 64.2862 37.0964 178.1797 41 A 3.9793 8.3636 121.9338 55.1892 18.1928 179.7514 42 K 3.8738 8.1453 116.8433 59.6899 32.1349 179.7404 43 K 3.8303 7.7140 117.4927 59.0710 32.0263 179.2766 44 A 4.2805 7.9410 121.2074 55.4024 18.2769 179.8697 45 V 3.5904 8.2169 117.1145 66.0345 31.5225 178.0746 46 E 3.8643 7.9209 118.2355 59.5150 28.9349 179.3251 47 F 4.3214 8.0331 117.4652 60.3855 38.8758 177.7500 48 A 3.9633 7.9551 120.0027 55.2406 18.2707 179.7639 49 R 3.8790 8.2185 116.9373 59.8195 29.9939 178.6095 50 H 4.4328 8.2528 112.8917 57.0230 28.8028 176.3156 51 A 4.6842 7.2337 121.5772 50.8316 19.4129 176.6765 52 G 3.8525 8.1245 105.5465 46.8248 0.0000 174.1036 53 R 4.7080 8.2834 117.7029 54.0306 32.6938 176.3756 54 K 4.3047 8.5571 119.4234 57.3297 33.2815 176.9536 55 T 4.4077 7.6786 115.2850 61.8806 69.7243 174.0694 56 V 4.1525 8.2623 125.9751 61.7764 32.7097 175.3843 57 K 4.5564 9.9391 127.3757 54.2839 34.7750 177.2434 58 V 3.6133 8.3343 118.5351 66.4037 31.1553 177.5301 59 E 3.9018 8.1049 116.7924 59.4528 29.3769 178.8334 60 D 4.2361 7.9611 119.2643 57.1103 40.8619 178.7039 61 I 3.7005 7.6904 119.7053 64.3022 37.1931 178.2684 62 K 3.8632 8.0615 119.1983 59.6774 31.7181 179.3183 63 L 3.8444 7.3409 116.7717 57.6294 41.4667 179.1650 64 A 4.3497 7.8166 119.7623 55.3792 18.4256 179.4867 65 I 3.7831 7.8905 117.5798 63.6987 38.1190 177.8634 66 K 4.4796 7.9486 120.0886 56.1686 30.3889 177.0673 67 S 4.3506 7.7214 117.7676 58.5243 63.1990 174.1761 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 G 8.35 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 3 E 8.65 4.22 0.00 1.85 1.99 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 2.20 2.38 0.00 4 L 8.50 4.14 0.00 1.66 1.61 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.44 0.00 2.04 2.00 0.00 3.67 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 2.03 2.12 0.00 6 I 8.34 4.01 1.88 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 1.58 1.06 0.92 0.00 0.00 7 A 8.01 4.01 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.21 0.00 2.18 2.12 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 9 V 7.72 3.60 2.24 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 1.13 0.00 0.00 0.96 0.00 0.00 10 D 8.21 4.33 0.00 2.85 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 11 R 8.15 3.97 0.00 2.10 1.97 0.00 3.19 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 12 L 7.71 4.01 0.00 1.86 1.75 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.67 3.89 2.04 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 1.66 1.42 0.91 0.00 0.00 14 R 7.82 4.20 0.00 1.91 2.12 0.00 3.14 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 15 K 8.11 4.11 0.00 2.01 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 16 A 7.50 4.31 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 17 G 7.62 3.78 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 0.00 0.00 0.00 18 A 8.05 4.09 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 0.00 0.00 0.00 0.00 0.00 19 E 8.77 4.10 0.00 1.94 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 2.26 2.32 0.00 20 R 7.61 4.73 0.00 1.77 1.75 0.00 3.20 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 21 V 8.10 4.41 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 0.86 0.00 0.00 0.93 0.00 0.00 22 S 8.48 4.35 0.00 4.09 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 23 E 8.74 3.91 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 24 Q 8.09 4.05 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 25 A 8.35 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.97 1.34 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 0.00 0.00 27 K 7.97 3.88 0.00 1.89 2.00 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 28 V 8.12 3.59 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 1.05 0.00 0.00 0.97 0.00 0.00 29 L 8.05 4.01 0.00 1.85 1.69 1.01 1.01 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 30 A 8.15 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 3.87 0.00 2.29 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 2.33 2.49 0.00 32 Y 8.42 4.10 0.00 3.13 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 33 L 8.49 3.82 0.00 1.87 1.72 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.01 3.87 0.00 2.18 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 0.00 2.29 2.30 0.00 35 E 8.02 3.93 0.00 2.15 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 2.34 2.37 0.00 36 Y 7.93 4.11 0.00 2.37 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 37 A 8.26 3.75 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.74 3.57 2.21 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.89 0.00 0.00 39 E 8.37 3.89 0.00 2.12 2.15 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 2.34 2.39 0.00 40 I 7.65 3.66 1.57 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 -0.11 0.77 0.00 0.00 41 A 8.36 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 3.87 0.00 1.99 1.83 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.64 7.81 43 K 7.71 3.83 0.00 2.09 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.60 7.81 44 A 7.94 4.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 3.59 2.19 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 1.09 0.00 0.00 0.98 0.00 0.00 46 E 7.92 3.86 0.00 1.97 1.74 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 2.24 2.42 0.00 47 F 8.03 4.32 0.00 3.36 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 48 A 7.96 3.96 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.22 3.88 0.00 1.86 1.89 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 50 H 8.25 4.43 0.00 3.25 3.38 0.00 5.63 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.23 4.68 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 0.00 0.00 0.00 0.00 0.00 52 G 8.12 3.85 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 0.00 0.00 0.00 53 R 8.28 4.71 0.00 1.90 1.96 0.00 3.16 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 54 K 8.56 4.30 0.00 1.73 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.44 7.81 55 T 7.68 4.41 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 56 V 8.26 4.15 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 0.87 0.00 0.00 0.94 0.00 0.00 57 K 9.94 4.56 0.00 1.67 1.70 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.34 7.81 58 V 8.33 3.61 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 1.07 0.00 0.00 0.92 0.00 0.00 59 E 8.10 3.90 0.00 2.15 2.15 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 2.34 2.37 0.00 60 D 7.96 4.24 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 61 I 7.69 3.70 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.98 0.88 0.00 0.00 62 K 8.06 3.86 0.00 1.87 1.81 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.62 7.81 63 L 7.34 3.84 0.00 1.08 0.98 0.18 0.59 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 64 A 7.82 4.35 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 3.78 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.94 0.00 0.00 66 K 7.95 4.48 0.00 1.86 1.80 0.00 1.54 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.49 7.81 67 S 7.72 4.35 0.00 4.00 3.88 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