NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.8133 8.2076 120.4766 54.5433 43.2190 173.3298 9 F 5.1820 7.8514 115.3594 55.2000 41.2277 168.4687 10 V 4.6825 9.1549 112.2236 59.5642 36.0400 176.1615 11 V 4.7786 8.6785 123.9030 61.3637 33.6751 174.4449 12 I 5.0215 8.9872 128.6900 59.3383 40.6900 174.1405 13 K 4.9849 9.1338 128.5922 54.2737 34.7166 174.8656 14 A 4.3879 8.7898 130.1401 52.1752 18.8804 177.8692 15 V 4.2501 8.7904 122.7605 63.3353 32.6691 175.2057 16 E 4.7759 7.8631 115.9553 54.3286 32.7601 174.4915 17 D 4.4302 8.4408 118.9649 55.5318 41.3126 176.2445 18 G 3.8088 7.9114 108.8359 46.7297 0.0000 174.3123 19 V 4.0792 7.4188 118.9397 62.4120 33.2636 174.3611 20 N 5.3902 9.1587 123.2592 51.4096 42.3015 173.5172 21 V 4.5937 8.8954 124.0599 61.4507 33.6053 174.1074 22 I 4.6064 8.6544 130.3595 59.3965 39.4092 175.2446 23 G 4.0312 8.6844 115.1626 45.4541 0.0000 172.5515 24 L 5.4009 8.7546 125.9808 53.2342 44.1217 176.2164 25 T 4.5033 8.6177 113.7427 61.6995 69.4977 174.2582 26 R 4.3865 7.9032 126.2562 56.1672 30.8836 175.7718 27 G 3.8203 8.7781 111.2764 44.3784 0.0000 172.9292 28 T 3.9704 8.5454 109.3897 64.0802 68.9576 174.1552 29 D 4.8576 7.8031 119.8430 52.8062 42.7463 175.9952 30 T 4.7641 8.2738 117.8088 61.9232 71.1215 173.2226 31 K 4.8053 8.7975 124.5801 54.9600 36.8190 175.5284 32 F 5.0347 9.0083 120.6952 58.2406 38.7842 174.9435 33 H 4.9579 8.9917 119.0809 56.3658 30.4760 174.3964 34 H 4.6939 7.6879 117.3406 55.1050 33.3084 172.0127 35 S 4.8278 8.4105 120.2241 56.4646 64.4326 172.4580 36 E 4.3866 9.2000 130.0192 54.8983 30.7527 174.7320 37 K 4.7527 8.6090 128.8075 55.6270 33.6158 175.5034 38 L 4.8583 8.8117 127.3274 53.0980 44.4283 176.2852 39 D 4.8453 8.9794 124.3141 52.7236 42.9405 175.9774 40 K 3.9475 8.6623 121.4783 58.6180 32.1923 176.9983 41 G 3.9821 9.3909 115.7599 45.0673 0.0000 173.1066 42 E 4.4797 7.9445 119.3244 55.6279 31.4085 175.5880 43 V 4.9441 8.1816 120.7343 61.1404 34.6802 174.3702 44 I 4.5224 8.8694 127.4338 59.1852 41.1074 173.9542 45 I 4.9493 8.3595 129.1550 59.6543 38.7080 174.7205 46 A 4.7004 9.0121 129.3882 50.1126 21.9707 175.3075 47 Q 4.8707 8.5370 120.3773 54.7717 30.7301 175.5200 48 F 4.6865 8.4066 120.2491 57.8172 38.6940 175.4038 49 T 4.7164 9.1029 111.6245 60.3313 71.8701 174.1466 50 E 4.1444 8.9264 119.8857 59.5379 29.6102 178.0567 51 H 4.5932 7.8190 112.5163 56.0642 30.0215 174.4914 52 T 5.0294 8.2525 117.0366 61.9906 69.9272 174.0691 53 S 5.0160 8.7539 120.1113 57.9863 64.8100 173.4483 54 A 5.1129 7.9489 121.6719 51.0212 22.6590 175.1553 55 I 4.9103 8.5603 120.8406 59.3262 40.7079 174.7469 56 K 4.6111 9.0438 128.1120 54.4502 35.0714 174.6630 57 V 4.8540 8.3355 125.7841 61.0537 34.0749 174.4307 58 R 4.4913 9.0580 127.5637 55.2787 33.2267 173.8526 59 G 3.8352 8.9877 110.9063 43.7801 0.0000 172.2870 60 E 4.5774 9.5860 120.3703 55.7972 30.1660 175.2789 61 A 5.0427 8.9124 127.9974 50.6707 23.5862 174.0266 62 L 4.9303 8.8254 121.9100 53.4205 44.6179 175.3565 63 I 5.1217 8.6694 126.0940 59.5922 40.8852 174.3229 64 Q 5.2655 9.0178 125.1738 54.4055 32.1455 174.8415 65 T 4.9475 8.5927 112.3460 59.5108 72.4967 174.5083 66 A 3.8383 8.3104 123.4249 55.1248 18.2002 177.9173 67 Y 4.7542 7.3847 111.3246 57.6807 38.6828 174.3860 68 G 3.8414 7.2033 106.4904 44.1035 0.0000 172.7635 69 E 5.7940 8.5060 118.2528 54.3871 32.3888 175.4234 70 M 4.8560 8.3327 120.2432 53.9464 36.2987 173.1273 71 K 5.0789 8.6689 125.9868 54.6540 34.5192 175.3766 72 S 4.7382 8.7225 122.2355 57.5246 65.1428 172.8170 73 E 5.1940 8.4875 120.6372 54.2446 32.2770 176.0262 74 K 4.1022 9.3024 123.4972 56.7833 32.2326 176.5924 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 8 D 8.21 4.81 0.00 2.84 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 9 F 7.85 5.18 0.00 3.02 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 10 V 9.15 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 0.66 0.00 0.00 0.88 0.00 0.00 11 V 8.68 4.78 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 0.99 0.00 0.00 1.14 0.00 0.00 12 I 8.99 5.02 1.85 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 1.10 0.64 0.89 0.00 0.00 13 K 9.13 4.98 0.00 1.75 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.35 7.81 14 A 8.79 4.39 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 15 V 8.79 4.25 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 0.81 0.00 0.00 0.93 0.00 0.00 16 E 7.86 4.78 0.00 2.04 1.85 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 2.16 2.31 0.00 17 D 8.44 4.43 0.00 2.69 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 18 G 7.91 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 19 V 7.42 4.08 2.21 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 1.07 0.00 0.00 1.00 0.00 0.00 20 N 9.16 5.39 0.00 2.59 2.60 0.00 0.00 6.56 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.90 4.59 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 0.90 0.00 0.00 0.89 0.00 0.00 22 I 8.65 4.61 1.42 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.40 0.02 0.00 0.00 23 G 8.68 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 0.00 0.00 0.00 24 L 8.75 5.40 0.00 1.83 1.68 0.63 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.62 4.50 4.32 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 1.36 0.00 0.00 26 R 7.90 4.39 0.00 1.92 1.99 0.00 3.22 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.78 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 0.00 0.00 0.00 28 T 8.55 3.97 4.25 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 1.22 0.00 0.00 29 D 7.80 4.86 0.00 2.71 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 30 T 8.27 4.76 4.30 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 1.31 0.00 0.00 31 K 8.80 4.81 0.00 1.82 1.86 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 32 F 9.01 5.03 0.00 2.85 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 33 H 8.99 4.96 0.00 3.13 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.69 4.69 0.00 3.32 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.41 4.83 0.00 3.84 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.20 4.39 0.00 2.16 1.79 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 2.26 2.29 0.00 37 K 8.61 4.75 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.58 7.81 38 L 8.81 4.86 0.00 1.56 1.52 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.98 4.85 0.00 2.61 2.72 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 0.00 0.00 0.00 0.00 40 K 8.66 3.95 0.00 1.87 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.51 7.81 41 G 9.39 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 7.94 4.48 0.00 2.04 1.85 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 2.29 2.24 0.00 43 V 8.18 4.94 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 0.82 0.00 0.00 0.92 0.00 0.00 44 I 8.87 4.52 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.29 0.88 0.00 0.00 45 I 8.36 4.95 1.64 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.39 0.00 0.00 46 A 9.01 4.70 1.08 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 0.00 0.00 0.00 47 Q 8.54 4.87 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 F 8.41 4.69 0.00 3.04 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 49 T 9.10 4.72 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 1.27 0.00 0.00 50 E 8.93 4.14 0.00 1.83 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 2.30 2.40 0.00 51 H 7.82 4.59 0.00 3.12 3.23 0.00 5.55 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.25 5.03 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 1.30 0.00 0.00 53 S 8.75 5.02 0.00 3.80 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 54 A 7.95 5.11 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 55 I 8.56 4.91 1.80 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.81 0.00 0.00 56 K 9.04 4.61 0.00 1.64 1.36 0.00 1.55 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.31 7.81 57 V 8.34 4.85 2.07 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 9.06 4.49 0.00 1.87 1.69 0.00 3.14 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 59 G 8.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 9.59 4.58 0.00 2.47 1.81 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 2.29 2.31 0.00 61 A 8.91 5.04 1.20 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 0.00 0.00 0.00 62 L 8.83 4.93 0.00 1.76 1.52 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.67 5.12 2.02 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 1.22 0.58 0.91 0.00 0.00 64 Q 9.02 5.27 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 65 T 8.59 4.95 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 1.16 0.00 0.00 66 A 8.31 3.84 0.95 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 67 Y 7.38 4.75 0.00 3.03 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 68 G 7.20 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.51 5.79 0.00 1.85 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 2.22 2.12 0.00 70 M 8.33 4.86 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 71 K 8.67 5.08 0.00 1.78 1.66 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 72 S 8.72 4.74 0.00 3.96 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 73 E 8.49 5.19 0.00 1.84 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 2.20 2.27 0.00 74 K 9.30 4.10 0.00 2.08 1.65 0.00 1.72 0.00 0.00 2.00 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.43 7.81