NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4502 8.1633 120.6259 55.3661 34.1409 174.0280 2 Q 4.6240 8.4832 123.7084 55.3423 29.5752 173.6308 3 Y 5.1263 9.4737 121.3707 56.1086 42.3597 174.2125 4 K 5.0702 9.4535 123.4145 54.5990 35.7990 174.3004 5 L 4.9475 8.7688 128.1908 53.2272 44.6851 174.8508 6 I 4.6130 8.7444 127.8429 59.9861 39.1347 174.5559 7 L 4.5606 8.9555 128.3246 52.6507 43.2845 176.5363 8 N 5.0109 8.6722 124.3728 52.4029 38.1710 173.3642 9 G 4.1134 8.4325 109.7706 44.5402 0.0000 173.0276 10 K 4.0504 9.5424 119.3903 59.0122 31.9699 178.4700 11 T 4.3770 7.7515 109.3596 61.2326 69.5036 172.8792 12 L 4.5165 7.7557 123.6214 53.4067 42.7850 175.0874 13 K 5.0960 8.8545 124.4287 54.9509 36.9890 175.4591 14 G 3.9219 7.1628 106.7513 44.4633 0.0000 172.7510 15 E 5.2182 8.3287 122.1879 55.4412 33.9586 174.9223 16 T 4.8888 8.8805 118.1190 62.3407 73.4996 172.8676 17 T 5.4235 8.4877 112.4602 60.5315 72.1517 172.8792 18 T 4.7471 9.2649 116.3232 60.6452 71.5356 172.1994 19 E 5.0815 8.8050 126.1110 55.2841 30.4658 175.3424 20 A 4.7570 9.0972 125.8410 50.3059 22.1746 176.6458 21 V 3.7654 8.5890 112.7546 64.0810 32.2111 176.4978 22 D 4.7648 7.6535 118.8718 52.1677 42.9053 176.0900 23 A 3.1667 8.3926 121.0563 54.7764 18.1475 179.6833 24 A 3.8759 7.7518 119.0370 55.4996 18.4596 179.9012 25 T 3.6727 8.3169 114.3575 66.5681 68.4657 176.9031 26 A 3.4227 7.4998 122.6748 54.7720 18.1533 179.1536 27 E 3.0705 8.1044 118.1241 59.1477 29.6229 179.3058 28 K 3.7545 7.4453 118.3437 59.2568 32.0675 179.4107 29 V 3.4514 7.3384 118.3826 66.1426 31.3447 178.1654 30 F 4.6402 7.8964 117.7467 60.6560 38.6648 177.9598 31 K 4.0773 8.2942 118.5976 59.3637 31.6683 179.5192 32 Q 3.9830 8.2645 118.5444 58.9929 28.7611 178.0446 33 Y 4.1011 8.3754 120.3764 60.6682 38.7986 178.0412 34 A 3.8960 8.7098 121.9874 55.2115 18.6197 178.9479 35 N 4.2367 8.4307 115.6809 57.2144 38.8157 176.8162 36 D 4.4547 8.1832 118.6651 56.4335 40.8509 177.4036 37 N 4.7587 7.4054 114.8582 52.3397 38.7563 175.3942 38 G 3.7914 7.7410 107.6836 46.0898 0.0000 173.7776 39 V 4.1437 7.8270 119.9205 61.3434 31.9406 175.3943 40 D 4.8075 9.2927 127.5821 52.2015 41.4629 174.0782 41 G 4.1861 8.1406 111.6583 44.7683 0.0000 168.4715 42 E 4.9185 8.9564 118.9378 54.9329 31.4632 175.8119 43 W 5.9482 9.2054 122.2376 54.3327 32.3388 174.8013 44 T 4.9898 8.3788 112.9256 60.3150 72.2948 172.0923 45 Y 5.0434 8.3393 122.0849 56.2060 42.8102 172.7210 46 D 4.5765 8.1484 126.5517 52.2359 42.8487 176.2535 47 D 4.2285 8.6084 125.0994 55.6866 41.7483 176.9596 48 A 4.1277 8.0019 121.9335 54.5017 18.5823 178.1470 49 T 4.3299 7.5962 102.3773 60.4931 69.6660 174.2003 50 K 4.0824 7.8394 120.7803 58.3010 30.4140 174.4306 51 T 5.3056 7.5812 113.5543 61.9748 71.8828 173.5932 52 F 5.6159 9.9356 125.3545 56.3633 41.8850 174.9809 53 T 5.2314 9.1812 111.4163 59.8965 72.4278 173.0358 54 V 4.2485 8.3557 122.5326 60.0433 34.6202 174.4615 55 T 4.9370 8.4437 120.2558 61.7519 72.4693 173.8976 56 E 4.2716 8.7619 124.7965 56.4369 29.3150 176.0507 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 M 8.16 4.45 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.18 0.00 2 Q 8.48 4.62 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.59 0.00 0.00 0.00 0.00 0.00 2.91 2.45 0.00 3 Y 9.47 5.13 0.00 3.09 3.48 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 0.00 0.00 0.00 0.00 4 K 9.45 5.07 0.00 1.91 1.73 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.37 7.81 5 L 8.77 4.95 0.00 0.27 0.60 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.74 4.61 1.83 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 1.20 0.50 0.87 0.00 0.00 7 L 8.96 4.56 0.00 1.73 1.72 1.06 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.67 5.01 0.00 2.70 2.56 0.00 0.00 6.66 7.52 0.00 0.00 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 G 8.43 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 0.00 0.00 0.00 10 K 9.54 4.05 0.00 1.79 1.88 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 11 T 7.75 4.38 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 1.19 0.00 0.00 12 L 7.76 4.52 0.00 1.68 1.50 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.85 5.10 0.00 1.71 1.62 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.38 7.81 14 G 7.16 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 15 E 8.33 5.22 0.00 1.79 1.78 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 2.18 2.32 0.00 16 T 8.88 4.89 4.02 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 1.10 0.00 0.00 17 T 8.49 5.42 4.44 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 1.28 0.00 0.00 18 T 9.26 4.75 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 0.77 0.00 0.00 19 E 8.80 5.08 0.00 1.91 1.91 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 2.28 2.27 0.00 20 A 9.10 4.76 1.12 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 0.00 0.00 21 V 8.59 3.77 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 0.76 0.00 0.00 0.91 0.00 0.00 22 D 7.65 4.76 0.00 2.90 2.76 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 23 A 8.39 3.17 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.75 3.88 1.24 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 0.00 0.00 25 T 8.32 3.67 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 1.09 0.00 0.00 26 A 7.50 3.42 0.72 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 0.00 0.00 27 E 8.10 3.07 0.00 2.02 1.94 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 1.96 2.15 0.00 28 K 7.45 3.75 0.00 1.77 1.71 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.41 7.81 29 V 7.34 3.45 1.68 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 0.77 0.00 0.00 0.79 0.00 0.00 30 F 7.90 4.64 0.00 2.77 3.11 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 31 K 8.29 4.08 0.00 1.57 1.61 0.00 1.12 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.45 7.81 32 Q 8.26 3.98 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 33 Y 8.38 4.10 0.00 3.17 3.37 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 34 A 8.71 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.43 4.24 0.00 2.93 3.05 0.00 0.00 7.30 8.55 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 36 D 8.18 4.45 0.00 2.73 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 37 N 7.41 4.76 0.00 2.42 2.62 0.00 0.00 7.02 7.08 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 38 G 7.74 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 0.00 0.00 0.00 39 V 7.83 4.14 2.17 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 0.69 0.00 0.00 0.92 0.00 0.00 40 D 9.29 4.81 0.00 2.62 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 41 G 8.14 4.19 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 0.00 0.00 0.00 42 E 8.96 4.92 0.00 1.86 1.91 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 2.29 2.46 0.00 43 W 9.21 5.95 0.00 3.21 3.31 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 44 T 8.38 4.99 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 1.27 0.00 0.00 45 Y 8.34 5.04 0.00 2.77 2.74 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 0.00 0.00 0.00 46 D 8.15 4.58 0.00 2.53 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 0.00 0.00 0.00 0.00 47 D 8.61 4.23 0.00 2.68 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 48 A 8.00 4.13 1.23 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 0.00 0.00 49 T 7.60 4.33 4.19 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 1.15 0.00 0.00 50 K 7.84 4.08 0.00 1.91 1.70 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.31 7.81 51 T 7.58 5.31 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 1.25 0.00 0.00 52 F 9.94 5.62 0.00 3.09 3.36 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 53 T 9.18 5.23 4.18 0.00 0.00 0.00 0.00 0.00 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 54 V 8.36 4.25 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.11 0.00 0.00 55 T 8.44 4.94 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 1.20 0.00 0.00 56 E 8.76 4.27 0.00 1.88 1.82 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 2.44 2.18 0.00