NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 M 4.3036 8.1585 120.3359 55.6543 34.4633 177.4541 14 A 3.7426 7.8401 120.1817 52.8636 18.6166 177.1873 15 P 2.9700 0.0000 0.0000 65.2210 31.5006 176.7887 16 A 3.9427 7.6567 120.5241 54.8339 18.3928 179.3679 17 L 3.8576 7.4268 116.3525 57.9556 41.2054 179.9107 18 V 3.7504 7.5868 117.6551 65.7568 31.3512 178.0566 19 A 4.0917 7.9230 120.0125 55.2045 18.3244 179.2924 20 A 3.8602 8.2413 119.7252 55.3799 18.2033 179.2010 21 F 4.7376 7.8739 113.2779 57.9442 39.2398 176.4559 22 G 4.0805 8.3545 108.1414 44.8045 0.0000 173.3855 23 G 4.3674 9.4731 110.3122 44.0483 0.0000 175.0985 24 K 3.8574 8.7278 121.0439 59.5103 32.3192 177.5532 25 E 4.5551 8.1559 115.0625 56.2884 29.5971 177.2837 26 N 4.8129 8.2640 117.2128 54.4936 42.7410 173.8432 27 I 4.3513 7.3453 118.8563 61.1011 36.6289 175.4187 28 T 4.3707 8.0784 116.2246 62.8616 69.9715 174.6696 29 N 4.8262 7.6617 119.0865 52.4380 42.5855 173.0370 30 L 4.7945 8.3660 126.5388 53.7217 44.4212 174.2772 31 D 5.0406 9.8197 126.1130 52.6697 45.7509 173.5431 32 A 4.9026 8.2551 120.9078 50.8548 22.0899 176.3543 33 C 4.5517 8.6531 120.6707 58.7444 30.4942 173.5613 34 I 4.0155 8.2578 119.9352 64.4713 37.1594 176.6857 35 T 5.1774 7.6683 106.6239 60.1471 71.2053 173.2747 36 R 5.0856 8.0196 120.4465 54.7028 34.8271 173.8754 37 L 4.6557 9.0746 123.1428 53.0613 42.2985 173.7422 38 R 4.6064 8.5005 122.8738 55.6534 31.8467 175.3801 39 V 4.7003 8.4090 125.9043 60.2447 34.6663 174.8158 40 S 4.8322 9.0040 122.6579 58.6179 64.0371 173.8498 41 V 4.8824 8.5179 114.8617 59.7281 35.0422 175.6377 42 A 4.1179 8.9822 126.2265 54.6293 19.3007 177.3416 43 D 4.4486 8.6744 115.1437 52.5924 42.5336 175.8812 44 V 4.0022 8.5332 121.6860 64.0583 31.7907 178.9108 45 S 4.2661 8.0651 113.1756 60.3701 63.1629 175.1416 46 K 4.2376 8.3445 119.1988 56.5468 32.0206 176.4140 47 V 4.2729 7.2422 120.3003 61.5509 32.1952 176.0642 48 D 4.5898 9.0824 127.8821 53.3882 40.3274 176.4925 49 Q 3.8940 8.3367 125.4934 58.3376 29.0547 177.5162 50 A 4.0496 8.1671 121.6096 55.3382 18.1652 179.8117 51 G 3.4485 8.3694 103.6808 48.0321 0.0000 175.5668 52 L 3.9087 7.4428 122.1749 57.6401 41.5629 180.1047 53 K 4.0967 7.8615 119.1553 58.8301 31.8106 179.3445 54 K 3.9348 7.7613 118.6269 59.5506 32.1201 178.5415 55 L 4.2938 8.1800 118.9667 56.0766 41.5469 177.1453 56 G 3.8449 6.8834 113.7917 45.3490 0.0000 172.3573 57 A 3.3274 7.3677 124.1741 51.0898 18.7700 179.2502 58 A 3.9627 9.2546 126.4298 54.7724 19.2346 177.9140 59 G 4.0425 7.4257 99.4649 45.3624 0.0000 172.9805 60 V 4.8650 8.3031 121.1723 60.9560 33.8170 174.6985 61 V 4.1917 8.9895 129.5581 61.5057 33.1985 174.6538 62 V 4.3682 8.5407 127.8259 61.4213 32.9669 175.0293 63 A 4.5536 8.4848 132.6649 50.7802 20.6047 178.6744 64 G 3.9199 9.1977 116.1988 47.2085 0.0000 172.7293 65 S 4.7237 9.2780 114.8977 57.5480 65.2098 174.1977 66 G 4.2147 8.0614 108.4420 44.9395 0.0000 172.9300 67 V 4.4643 8.5318 127.9310 62.2103 32.9823 174.9561 68 Q 4.6402 9.6982 129.0861 54.9000 30.2097 174.5981 69 A 5.0469 8.5131 126.4721 50.2496 21.5465 175.6474 70 I 4.3050 8.6601 125.1872 61.0952 37.1078 176.1190 71 F 4.0261 8.3006 126.8643 58.6917 40.8726 175.5628 72 G 4.0952 8.1508 104.3328 44.2382 0.0000 176.1475 73 T 4.0239 8.9585 115.9889 66.7504 68.5660 176.2392 74 K 4.6381 7.9668 119.9649 56.3704 31.8905 178.3163 75 S 4.4325 8.5314 116.1868 60.0162 62.7536 175.3791 76 D 4.4539 7.9424 119.1928 56.1901 40.5233 177.6809 77 N 4.5096 7.9338 116.7148 56.4962 38.9949 177.1147 78 L 4.0279 7.3479 119.7289 57.0686 41.4484 179.3572 79 K 3.9860 7.8000 120.2627 59.5014 31.9517 178.9510 80 T 3.9694 7.3556 116.6571 66.3081 68.3195 176.6330 81 E 3.9669 7.9931 120.3438 59.7306 29.6983 179.0537 82 M 4.0924 8.2847 118.6833 58.6644 31.7836 178.5753 83 D 4.3700 7.5789 117.6236 57.1659 41.5187 177.4260 84 E 4.1629 7.7870 118.5000 58.6285 29.8094 177.5065 85 Y 4.1916 8.1331 118.7473 59.5689 39.1771 175.9430 86 I 4.1691 7.0859 119.9249 61.0657 38.1956 175.8862 87 R 4.0775 7.4491 123.5550 57.0908 30.9581 174.9986 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 13 M 8.16 4.30 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 14 A 7.84 3.74 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 15 P 0.00 2.97 0.00 1.98 1.48 0.00 3.48 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 16 A 7.66 3.94 1.31 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 0.00 0.00 17 L 7.43 3.86 0.00 1.91 1.80 0.73 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.59 3.75 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 1.21 0.00 0.00 1.03 0.00 0.00 19 A 7.92 4.09 1.38 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 0.00 0.00 20 A 8.24 3.86 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 21 F 7.87 4.74 0.00 3.23 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 22 G 8.35 4.08 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 0.00 23 G 9.47 4.37 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 0.00 24 K 8.73 3.86 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.48 7.81 25 E 8.16 4.56 0.00 2.25 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 2.37 2.37 0.00 26 N 8.26 4.81 0.00 2.88 3.00 0.00 0.00 7.26 7.76 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 27 I 7.35 4.35 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.83 0.00 0.00 28 T 8.08 4.37 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 1.23 0.00 0.00 29 N 7.66 4.83 0.00 2.76 2.59 0.00 0.00 6.60 6.66 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 30 L 8.37 4.79 0.00 1.56 1.44 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 D 9.82 5.04 0.00 2.64 2.43 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 0.00 0.00 0.00 0.00 32 A 8.26 4.90 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 33 C 8.65 4.55 0.00 3.05 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.02 1.89 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 1.48 0.48 0.92 0.00 0.00 35 T 7.67 5.18 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 1.23 0.00 0.00 36 R 8.02 5.09 0.00 1.77 1.87 0.00 3.15 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 37 L 9.07 4.66 0.00 1.88 1.95 1.00 1.14 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 38 R 8.50 4.61 0.00 1.98 1.78 0.00 3.11 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 39 V 8.41 4.70 1.69 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 -0.54 0.00 0.00 0.68 0.00 0.00 40 S 9.00 4.83 0.00 3.81 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 41 V 8.52 4.88 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 0.61 0.00 0.00 1.02 0.00 0.00 42 A 8.98 4.12 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 43 D 8.67 4.45 0.00 2.66 2.53 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 0.00 0.00 0.00 0.00 44 V 8.53 4.00 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 0.99 0.00 0.00 0.95 0.00 0.00 45 S 8.07 4.27 0.00 4.03 4.01 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 46 K 8.34 4.24 0.00 1.89 1.92 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.39 7.81 47 V 7.24 4.27 2.29 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 0.97 0.00 0.00 1.14 0.00 0.00 48 D 9.08 4.59 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.34 3.89 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 50 A 8.17 4.05 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 51 G 8.37 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 3.91 0.00 1.67 1.64 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.86 4.10 0.00 1.97 1.79 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.21 7.81 54 K 7.76 3.93 0.00 1.74 1.95 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 55 L 8.18 4.29 0.00 1.96 1.82 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 G 6.88 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 57 A 7.37 3.33 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.25 3.96 1.16 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 59 G 7.43 4.04 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 0.00 0.00 0.00 60 V 8.30 4.87 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 0.92 0.00 0.00 0.86 0.00 0.00 61 V 8.99 4.19 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 0.87 0.00 0.00 0.93 0.00 0.00 62 V 8.54 4.37 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 0.87 0.00 0.00 0.97 0.00 0.00 63 A 8.48 4.55 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 64 G 9.20 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 65 S 9.28 4.72 0.00 4.03 4.01 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 66 G 8.06 4.21 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 0.00 67 V 8.53 4.46 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 1.21 0.00 0.00 1.04 0.00 0.00 68 Q 9.70 4.64 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 69 A 8.51 5.05 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 0.00 0.00 0.00 0.00 0.00 70 I 8.66 4.30 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 1.22 1.03 0.92 0.00 0.00 71 F 8.30 4.03 0.00 3.12 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 72 G 8.15 4.10 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 0.00 0.00 0.00 73 T 8.96 4.02 4.26 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 1.23 0.00 0.00 74 K 7.97 4.64 0.00 1.82 1.82 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.41 7.81 75 S 8.53 4.43 0.00 4.00 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 76 D 7.94 4.45 0.00 2.79 2.66 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 77 N 7.93 4.51 0.00 2.82 2.81 0.00 0.00 7.16 6.74 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 78 L 7.35 4.03 0.00 1.41 1.52 0.31 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.80 3.99 0.00 1.73 1.79 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.61 7.81 80 T 7.36 3.97 4.41 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 1.21 0.00 0.00 81 E 7.99 3.97 0.00 2.20 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 2.39 0.00 82 M 8.28 4.09 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.56 0.00 83 D 7.58 4.37 0.00 2.96 2.79 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 84 E 7.79 4.16 0.00 1.97 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 2.33 2.31 0.00 85 Y 8.13 4.19 0.00 3.00 3.17 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 0.00 86 I 7.09 4.17 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.94 0.90 0.00 0.00 87 R 7.45 4.08 0.00 1.84 1.71 0.00 3.22 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00