NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4806 8.1476 120.6186 55.4218 34.1562 173.7643 2 Q 4.6976 8.4359 123.1481 55.1713 29.9556 173.2183 3 Y 5.1043 9.5670 121.9790 56.0889 41.8535 175.7579 4 K 5.2582 9.1969 122.7610 54.6186 35.9470 174.3799 5 L 4.9013 8.7788 127.9839 53.1027 44.9325 174.9281 6 V 4.6124 8.6326 126.6284 61.3016 33.7775 174.1817 7 I 4.4507 8.6867 129.5947 59.5055 39.2450 175.3954 8 N 5.2713 8.7717 127.6493 51.6364 37.4353 174.4657 9 G 4.2012 8.3436 110.6429 43.8229 0.0000 172.3577 10 K 4.1284 9.0839 119.2863 58.9830 32.0602 178.7843 11 T 4.4082 7.8155 112.4346 63.1568 71.1732 173.7751 12 L 4.6763 7.7195 123.2228 52.9358 43.6854 175.0182 13 K 5.1486 9.0503 124.3644 53.6003 36.7028 177.4080 14 G 4.0361 7.3683 108.9542 46.3209 0.0000 170.7814 15 E 5.1939 8.1463 120.6368 55.5503 34.0591 174.3247 16 T 4.8180 8.6972 115.8823 61.3332 71.7124 171.9841 17 T 5.4553 8.2527 112.9447 60.7314 72.4078 172.6845 18 T 4.7064 9.1094 115.0823 60.9686 71.3128 172.0843 19 K 5.2791 8.5267 124.9350 54.9150 34.1705 175.4061 20 A 4.6774 8.7496 124.6374 50.9776 22.0467 176.9527 21 V 3.8292 8.5343 112.6935 63.7518 32.2708 176.6061 22 D 4.8367 7.5701 117.8422 50.9065 43.4175 175.8727 23 A 3.4504 8.4895 121.5459 54.9283 18.3458 179.6990 24 E 3.7861 7.9565 115.8204 59.8126 29.8454 179.4506 25 T 3.7292 8.6239 116.9098 66.1656 68.3717 176.6372 26 A 3.4400 7.3704 122.3259 54.6812 18.2529 179.1798 27 E 3.1919 7.9672 118.1199 59.1995 29.6640 179.2405 28 K 3.7782 7.6704 118.0404 59.3054 32.0670 179.1978 29 A 3.8871 7.4968 120.5188 55.2348 18.1950 179.7890 30 F 4.6344 7.9750 116.5707 60.6741 38.9351 178.2074 31 K 4.0050 8.4383 118.7599 59.2559 31.6628 179.2547 32 Q 3.9595 8.1877 120.0492 59.2143 29.1223 177.4626 33 Y 4.1398 8.3749 120.4216 60.7413 38.7844 178.0224 34 A 3.9676 8.7632 121.9521 55.3103 18.5779 179.3249 35 N 4.2910 8.3950 114.9917 56.7282 38.4336 177.4515 36 D 4.4383 8.3197 119.2670 56.5985 40.8644 177.5869 37 N 4.7505 7.4442 114.1764 52.1430 38.7817 175.3126 38 G 3.8292 7.6426 107.8025 46.2383 0.0000 173.7883 39 V 4.1528 7.8493 119.7539 61.4251 32.1137 175.5039 40 D 4.8039 8.9122 126.7781 52.1740 41.6514 174.2861 41 G 4.1252 8.1636 113.9603 44.1318 0.0000 169.4067 42 V 4.6763 7.9929 111.6133 59.6122 34.1517 175.4201 43 W 5.4523 9.0728 123.0070 55.2855 32.0656 174.9543 44 T 5.0120 8.9470 112.0328 60.3221 72.0523 171.9893 45 Y 5.0545 8.3886 122.0764 56.0024 42.8237 172.9405 46 D 4.5367 7.8791 126.2618 52.1817 42.6509 176.1778 47 D 4.0618 8.5440 125.7297 56.2320 41.6601 177.2804 48 A 4.0761 8.5004 122.4724 54.3786 18.3687 178.0502 49 T 4.3703 7.7403 102.2938 60.4086 69.8656 173.9324 50 K 4.0275 7.5282 120.7228 58.4538 30.5750 174.4068 51 T 5.3243 7.4923 113.0895 61.9487 72.0697 173.9619 52 F 5.5654 9.7036 124.9365 56.4369 41.9922 174.9830 53 T 5.1310 8.9757 118.0232 61.7072 72.6356 173.2691 54 V 4.3303 8.2990 124.5412 59.8275 34.4669 174.3148 55 T 4.9003 8.3198 118.8389 60.1444 70.6074 173.4122 56 E 4.2939 8.5366 126.7581 56.5152 29.2957 176.0434 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 8.15 4.48 0.00 1.51 1.96 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 2.37 2.39 0.00 2 Q 8.44 4.70 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 3 Y 9.57 5.10 0.00 3.20 3.52 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 0.00 0.00 0.00 0.00 4 K 9.20 5.26 0.00 1.92 1.73 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 5 L 8.78 4.90 0.00 0.27 0.73 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.63 4.61 2.04 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 0.87 0.00 0.00 0.97 0.00 0.00 7 I 8.69 4.45 1.86 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 0.92 0.00 0.00 8 N 8.77 5.27 0.00 2.65 2.68 0.00 0.00 6.40 7.49 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 9 G 8.34 4.20 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 0.00 10 K 9.08 4.13 0.00 1.73 1.87 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 11 T 7.82 4.41 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 12 L 7.72 4.68 0.00 1.67 1.47 0.93 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.05 5.15 0.00 1.70 1.61 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.40 7.81 14 G 7.37 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 15 E 8.15 5.19 0.00 1.80 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 2.19 2.29 0.00 16 T 8.70 4.82 4.17 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 0.65 0.00 0.00 17 T 8.25 5.46 4.45 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 1.27 0.00 0.00 18 T 9.11 4.71 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 0.49 0.00 0.00 19 K 8.53 5.28 0.00 1.68 1.73 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 20 A 8.75 4.68 1.11 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 21 V 8.53 3.83 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 0.92 0.00 0.00 22 D 7.57 4.84 0.00 2.89 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 23 A 8.49 3.45 1.10 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 24 E 7.96 3.79 0.00 2.12 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 0.00 2.42 2.30 0.00 25 T 8.62 3.73 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 1.09 0.00 0.00 26 A 7.37 3.44 0.60 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 0.00 0.00 27 E 7.97 3.19 0.00 1.93 1.89 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 1.94 1.96 0.00 28 K 7.67 3.78 0.00 1.85 1.72 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.31 7.81 29 A 7.50 3.89 1.05 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 0.00 0.00 30 F 7.97 4.63 0.00 2.89 3.15 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 0.00 0.00 0.00 31 K 8.44 4.01 0.00 1.53 1.68 0.00 1.25 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.65 1.14 7.81 32 Q 8.19 3.96 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 33 Y 8.37 4.14 0.00 3.24 3.38 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 34 A 8.76 3.97 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.29 0.00 2.93 2.89 0.00 0.00 7.09 7.69 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 36 D 8.32 4.44 0.00 2.70 2.69 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 37 N 7.44 4.75 0.00 2.42 2.61 0.00 0.00 6.03 6.67 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 38 G 7.64 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.85 4.15 2.08 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 0.78 0.00 0.00 0.87 0.00 0.00 40 D 8.91 4.80 0.00 2.66 2.54 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 41 G 8.16 4.13 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 0.00 42 V 7.99 4.68 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 0.75 0.00 0.00 0.99 0.00 0.00 43 W 9.07 5.45 0.00 3.22 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 5.01 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 8.39 5.05 0.00 2.77 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 46 D 7.88 4.54 0.00 2.55 2.25 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 0.00 47 D 8.54 4.06 0.00 2.63 2.62 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 48 A 8.50 4.08 1.25 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 0.00 0.00 0.00 49 T 7.74 4.37 4.20 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 1.16 0.00 0.00 50 K 7.53 4.03 0.00 1.92 1.79 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.39 7.81 51 T 7.49 5.32 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 1.30 0.00 0.00 52 F 9.70 5.57 0.00 3.06 3.33 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 53 T 8.98 5.13 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 1.14 0.00 0.00 54 V 8.30 4.33 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 0.51 0.00 0.00 0.29 0.00 0.00 55 T 8.32 4.90 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 1.21 0.00 0.00 56 E 8.54 4.29 0.00 1.88 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 2.46 2.19 0.00