NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3015 8.4444 116.7577 55.1764 32.4016 175.2640 3 S 4.5493 7.7244 114.3255 56.7787 63.8577 172.8628 4 F 4.0805 9.0776 131.5596 61.4831 39.7331 176.2321 5 L 3.8762 8.1255 119.3437 58.0421 41.9008 178.2901 6 L 3.9762 8.0368 120.5229 58.3453 41.9875 179.1972 7 S 4.7586 7.8594 115.1990 60.8476 62.8396 176.7564 8 K 3.8008 7.6284 121.6336 59.0553 31.7964 179.4504 9 V 3.6730 7.8874 118.7884 66.1647 31.4774 178.2844 10 S 4.1843 8.3590 114.1634 61.2118 62.7055 176.0473 11 F 3.9103 8.2919 124.3399 61.2818 39.0629 177.3909 12 V 3.5479 7.9495 117.7450 65.7232 31.1833 177.9757 13 I 3.7974 7.8666 119.7493 64.2852 36.9397 178.1718 14 K 3.9093 8.0397 120.3315 59.3195 32.0180 178.4899 15 K 3.6495 7.8005 119.8948 59.6747 32.0532 178.7716 16 I 3.6790 7.8910 120.1099 64.1370 37.0077 178.0716 17 R 3.8544 8.0660 119.7160 59.8219 29.8782 178.5370 18 L 3.9935 8.0764 118.5183 57.6770 41.3420 179.2895 19 E 3.9785 7.9443 117.7352 59.3996 29.5861 179.0539 20 K 4.2810 8.3453 115.5388 56.3351 32.1466 177.4302 21 G 3.8894 7.8025 107.2873 46.6952 0.0000 173.4003 22 M 4.7081 7.8405 118.5766 53.5096 33.9888 177.0335 23 T 4.3528 9.0922 113.8801 60.8051 71.6954 176.0153 24 Q 4.0146 8.5106 119.6635 59.3186 28.5393 179.1368 25 E 4.0722 8.1663 118.9550 59.4305 29.5246 178.8782 26 D 4.4308 8.1596 118.9694 57.3924 40.9073 178.7454 27 L 3.9575 7.9998 120.5223 57.8810 42.2401 178.4787 28 A 3.9915 8.5094 121.2192 55.5536 18.3033 178.8079 29 Y 4.0888 8.3205 117.9199 61.0665 38.6945 178.6646 30 K 3.9237 8.1708 117.1818 58.4659 32.2379 178.6004 31 S 4.4297 7.7317 113.8284 57.7784 63.3794 174.3593 32 N 4.2829 7.4818 117.0976 53.8235 37.6114 173.1982 33 L 4.6928 7.3795 115.0416 52.2277 44.7404 176.1219 34 D 4.6199 8.2250 118.5638 53.9526 43.1922 177.0238 35 R 4.0086 8.6350 124.9965 59.7753 30.1413 179.4965 36 T 3.9277 8.1019 109.0147 64.8472 68.2419 175.8820 37 Y 4.0950 8.0013 121.9910 60.4188 38.9545 177.5843 38 I 3.6005 7.7747 120.3913 64.4038 37.1587 177.9425 39 S 4.2699 8.1730 114.1374 61.7551 62.1002 176.7065 40 G 3.5418 8.4033 108.3470 47.7404 0.0000 175.6601 41 I 3.5417 7.6253 122.3072 64.2307 36.9296 178.3803 42 E 4.0400 8.0019 117.4380 58.4786 29.3638 178.5521 43 R 4.2509 7.3976 116.4202 55.4433 30.7498 176.1482 44 N 4.2844 8.1909 116.0743 54.4063 36.4725 175.2335 45 S 4.6067 8.1399 109.5815 57.7910 63.5684 173.6317 46 R 4.6595 7.6132 118.5574 54.5511 32.9129 174.8709 47 N 4.7118 8.4700 118.9464 52.7982 40.0827 173.9376 48 L 4.9252 8.3198 121.6486 51.5584 45.0644 176.7510 49 T 4.4323 8.3713 116.1527 60.8854 71.4910 175.8210 50 I 3.7604 8.1962 122.1533 64.5575 37.1273 178.8548 51 K 3.9718 8.0127 118.8409 59.6043 31.8707 179.4586 52 S 4.1808 8.2229 115.5178 61.2642 62.6678 176.4113 53 L 3.8371 8.0313 123.1946 58.1214 41.8620 178.6566 54 E 3.8464 8.3934 119.4384 59.2618 29.5542 178.7313 55 L 3.9681 7.9781 118.9951 57.7526 41.5550 179.6076 56 I 3.6791 7.8631 119.8477 64.7676 37.0827 178.4392 57 M 3.9059 8.2003 119.8407 58.0874 31.7765 178.8283 58 K 4.0244 8.0508 120.0840 59.4034 32.1654 179.2247 59 G 3.6173 7.9950 105.0830 47.4787 0.0000 175.0215 60 L 4.1849 8.0166 119.0701 54.3427 42.8645 176.3612 61 E 3.8240 7.7108 118.0472 57.5445 27.5038 174.9820 62 V 4.5233 7.6384 115.9502 59.1823 34.8502 176.8114 63 S 4.4561 8.3718 117.1241 57.8203 65.3148 174.8274 64 D 4.4039 8.7226 123.4084 57.8613 40.5718 179.4545 65 V 3.7589 7.9017 117.6627 66.3520 31.6379 178.1837 66 V 3.6415 7.6953 111.5315 64.3171 31.3680 178.2362 67 F 3.8494 8.3269 120.3232 61.5328 39.2076 177.3291 68 F 4.4329 8.4156 117.1829 60.1920 38.6775 177.4521 69 E 4.0086 8.6657 119.7347 59.5924 29.4537 178.8169 70 M 4.0314 8.1297 118.8010 57.9847 31.8743 178.4452 71 L 3.8210 7.6044 120.5933 58.1174 42.2917 179.0924 72 I 3.6908 7.8681 119.6103 64.3398 36.8829 178.0069 73 K 3.8077 7.6990 118.9683 59.8465 31.6648 177.9196 74 E 3.9829 8.1780 119.1856 59.3438 29.3454 178.8618 75 I 3.8495 7.9674 119.2711 64.1483 37.2005 178.0231 76 L 4.1706 7.8484 118.8595 55.8332 41.9297 177.7731 77 K 3.9574 7.0065 117.3894 57.0561 32.6564 176.4381 78 H 4.5315 8.4494 116.4226 55.7298 28.5764 173.6159 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 E 8.44 4.30 0.00 2.01 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 2.13 1.88 0.00 3 S 7.72 4.55 0.00 4.00 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 4 F 9.08 4.08 0.00 3.10 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 5 L 8.13 3.88 0.00 1.96 1.73 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.04 3.98 0.00 1.79 1.81 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.86 4.76 0.00 4.07 4.11 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 8 K 7.63 3.80 0.00 1.76 1.73 0.00 1.38 0.00 0.00 1.18 0.00 0.00 2.31 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.68 1.00 7.81 9 V 7.89 3.67 2.28 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 1.23 0.00 0.00 1.12 0.00 0.00 10 S 8.36 4.18 0.00 4.16 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 11 F 8.29 3.91 0.00 3.30 3.24 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 0.00 12 V 7.95 3.55 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 0.41 0.00 0.00 0.88 0.00 0.00 13 I 7.87 3.80 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.92 0.00 0.00 14 K 8.04 3.91 0.00 1.78 1.66 0.00 1.52 0.00 0.00 1.38 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.51 7.81 15 K 7.80 3.65 0.00 1.49 1.78 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.37 7.81 16 I 7.89 3.68 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.43 0.93 0.00 0.00 17 R 8.07 3.85 0.00 1.95 2.11 0.00 3.15 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 18 L 8.08 3.99 0.00 1.65 1.65 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.94 3.98 0.00 2.15 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 2.33 2.33 0.00 20 K 8.35 4.28 0.00 1.81 1.86 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.60 7.81 21 G 7.80 3.89 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 0.00 0.00 0.00 22 M 7.84 4.71 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 23 T 9.09 4.35 4.34 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 1.20 0.00 0.00 24 Q 8.51 4.01 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 25 E 8.17 4.07 0.00 2.06 2.01 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 2.40 2.48 0.00 26 D 8.16 4.43 0.00 3.01 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 27 L 8.00 3.96 0.00 1.79 1.82 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.51 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.32 4.09 0.00 2.99 3.23 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 30 K 8.17 3.92 0.00 1.98 1.90 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.76 1.67 7.81 31 S 7.73 4.43 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.48 4.28 0.00 2.81 2.88 0.00 0.00 7.02 7.66 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 33 L 7.38 4.69 0.00 1.76 1.66 1.07 0.62 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 34 D 8.22 4.62 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.64 4.01 0.00 1.92 2.00 0.00 3.21 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 36 T 8.10 3.93 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 1.24 0.00 0.00 37 Y 8.00 4.09 0.00 3.06 3.19 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 0.00 38 I 7.77 3.60 2.03 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 1.69 1.03 0.90 0.00 0.00 39 S 8.17 4.27 0.00 3.99 4.06 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 0.00 0.00 0.00 40 G 8.40 3.54 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 0.00 41 I 7.63 3.54 1.84 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.03 0.81 0.00 0.00 42 E 8.00 4.04 0.00 1.91 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 2.30 2.44 0.00 43 R 7.40 4.25 0.00 1.97 1.94 0.00 3.28 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 44 N 8.19 4.28 0.00 2.95 2.91 0.00 0.00 6.41 7.17 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 45 S 8.14 4.61 0.00 3.95 3.89 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 46 R 7.61 4.66 0.00 1.67 1.90 0.00 3.38 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.12 0.00 47 N 8.47 4.71 0.00 2.69 2.76 0.00 0.00 6.72 7.78 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 48 L 8.32 4.93 0.00 1.55 1.49 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.37 4.43 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 1.25 0.00 0.00 50 I 8.20 3.76 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.95 0.95 0.00 0.00 51 K 8.01 3.97 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 52 S 8.22 4.18 0.00 4.13 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 53 L 8.03 3.84 0.00 1.90 1.75 0.87 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.39 3.85 0.00 2.15 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 2.28 2.33 0.00 55 L 7.98 3.97 0.00 1.91 1.67 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.86 3.68 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 1.54 0.86 0.87 0.00 0.00 57 M 8.20 3.91 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.72 0.00 58 K 8.05 4.02 0.00 1.91 1.94 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.57 7.81 59 G 8.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.18 0.00 1.77 1.74 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.71 3.82 0.00 2.11 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 2.25 2.22 0.00 62 V 7.64 4.52 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 0.87 0.00 0.00 0.99 0.00 0.00 63 S 8.37 4.46 0.00 4.11 4.05 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 64 D 8.72 4.40 0.00 2.88 3.08 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 65 V 7.90 3.76 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 1.23 0.00 0.00 1.01 0.00 0.00 66 V 7.70 3.64 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 0.76 0.00 0.00 0.95 0.00 0.00 67 F 8.33 3.85 0.00 2.99 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 68 F 8.42 4.43 0.00 3.24 3.12 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 0.00 69 E 8.67 4.01 0.00 2.29 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 2.33 2.40 0.00 70 M 8.13 4.03 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 71 L 7.60 3.82 0.00 1.85 1.84 1.20 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.87 3.69 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.94 0.00 0.00 73 K 7.70 3.81 0.00 1.94 1.93 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 74 E 8.18 3.98 0.00 2.24 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 2.20 2.04 0.00 75 I 7.97 3.85 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.70 1.05 0.00 0.00 76 L 7.85 4.17 0.00 1.91 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.01 3.96 0.00 1.90 1.69 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.32 7.81 78 H 8.45 4.53 0.00 3.20 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00