NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6402 8.1449 121.6972 58.0335 39.8833 170.9752 2 N 3.3630 8.0661 127.1172 51.3531 36.5150 173.0300 3 R 4.1967 8.6973 125.5613 55.1751 32.2908 176.5093 4 L 3.9985 8.5638 119.0461 58.1737 41.5636 179.7589 5 C 4.1944 8.2154 117.1667 58.3398 43.7312 172.5821 6 I 4.6746 7.8357 119.7651 59.5200 39.1584 174.8839 7 K 4.0032 8.4533 127.9582 54.3266 31.6181 174.9375 8 P 4.3235 0.0000 0.0000 64.3560 29.9028 174.2310 9 R 4.5046 8.4411 129.5413 55.4018 31.8955 175.3276 10 D 4.3243 8.9697 125.2274 56.0193 39.6421 178.1875 11 W 3.8349 8.5537 117.1164 59.1414 27.8831 175.5625 12 I 3.2122 7.5842 119.2001 63.8339 34.5933 175.6766 13 D 5.0002 8.0719 122.4074 53.4360 39.0517 177.1147 14 E 4.7766 7.4577 112.2930 56.9881 34.2975 178.0550 15 C 4.5714 7.5620 117.1269 56.6525 36.0271 173.1417 16 D 3.6354 7.5820 124.0723 52.3306 42.5660 174.7126 17 S 2.7900 7.0181 113.5956 59.6136 62.8341 172.6245 18 N 4.7897 8.5810 126.3917 53.9777 38.1847 175.7102 19 E 4.0787 7.4051 114.4757 55.7682 28.7658 176.8152 20 G 3.9740 6.4521 106.4072 45.7541 0.0000 174.0435 21 G 4.0732 8.4809 113.5448 45.7256 0.0000 173.4073 22 E 4.5986 8.7394 121.8229 56.1763 31.2111 176.6068 23 R 4.1452 8.6162 120.1685 56.0913 31.1285 176.0955 24 A 5.1897 8.7779 123.3245 50.6566 23.2645 174.3953 25 Y 4.8556 8.8896 118.3121 56.3910 40.5100 175.2368 26 F 4.7599 8.7758 121.8926 56.3773 44.2921 173.8200 27 R 4.6126 8.7363 119.8060 56.2921 31.7354 174.5331 28 N 4.7357 8.6836 124.4707 51.5137 39.1997 175.2312 29 G 3.8699 8.2650 106.7235 45.6237 0.0000 174.3863 30 K 4.0966 7.1897 118.3946 54.8521 33.6665 177.9110 31 G 4.9883 7.4554 120.7595 44.8103 0.0000 171.3327 32 G 4.1277 6.9958 108.6426 45.6201 0.0000 172.0115 33 C 4.6589 8.4869 117.0305 56.4311 42.3542 173.1611 34 D 5.0702 8.8343 121.8022 52.5810 43.5732 175.3190 35 S 4.6547 8.6932 118.8960 57.4370 64.7766 173.2709 36 F 5.1587 8.5550 117.0286 55.0868 41.3675 173.2343 37 W 5.1685 8.6479 117.2694 55.3276 29.3464 177.0175 38 I 2.2996 8.8680 124.4930 61.9270 36.7812 175.1187 39 C 4.1774 8.0020 121.9186 54.7594 43.7744 171.8392 40 P 3.6091 0.0000 0.0000 64.8867 30.7844 177.5247 41 E 3.8497 7.0283 119.1998 58.8984 30.3143 176.9693 42 D 4.7387 7.2363 119.9581 53.6047 40.1855 178.6558 43 H 4.6141 7.6636 119.5309 56.0825 26.9921 175.2749 44 T 4.3617 7.9927 113.7735 62.0542 67.9352 175.2183 45 G 4.0361 8.4990 113.2821 45.3128 0.0000 174.4367 46 A 2.5800 7.3366 119.3602 52.3974 15.3355 178.8956 47 D 4.4048 6.9610 119.7569 53.0207 40.2523 174.1738 48 Y 4.7477 7.5663 121.5395 55.6809 42.6845 174.4600 49 Y 4.3128 7.5691 118.3325 58.3547 38.4117 176.5025 50 S 4.5366 8.6628 119.6935 60.5373 64.4383 175.1499 51 S 4.1102 7.6920 117.6470 56.8731 64.6693 173.7543 52 Y 3.0833 7.7975 126.3266 60.8081 38.5309 178.5990 53 R 3.8326 7.9495 118.7046 59.3141 30.0502 178.1224 54 D 4.0591 7.7128 118.2632 57.2793 40.9465 178.6407 55 C 3.0111 7.2922 118.7132 59.4665 41.3635 175.1735 56 F 3.3350 7.7355 122.1255 61.4619 38.6750 176.9299 57 N 4.3585 8.3133 115.2093 55.9099 38.3688 177.2498 58 A 3.9724 7.8456 122.0710 54.5707 18.6239 178.1383 59 C 4.6842 7.7001 110.6784 56.5660 41.5742 174.3438 60 I 3.7411 7.5177 127.2556 61.1280 36.8362 175.2934 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 Y 8.14 4.64 0.00 2.70 2.97 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 0.00 0.00 0.00 2 N 8.07 3.36 0.00 2.77 2.86 0.00 0.00 6.80 6.62 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 3 R 8.70 4.20 0.00 1.83 1.79 0.00 3.24 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 4 L 8.56 4.00 0.00 1.53 1.64 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.22 4.19 0.00 3.08 3.09 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 6 I 7.84 4.67 1.75 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.83 0.00 0.00 7 K 8.45 4.00 0.00 0.79 1.24 0.00 1.32 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.30 1.05 7.81 8 P 0.00 4.32 0.00 2.25 2.15 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 R 8.44 4.50 0.00 1.90 2.07 0.00 3.19 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.35 0.00 10 D 8.97 4.32 0.00 2.97 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 11 W 8.55 3.83 0.00 3.45 3.44 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 0.00 12 I 7.58 3.21 1.75 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 1.41 0.72 0.90 0.00 0.00 13 D 8.07 5.00 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.46 4.78 0.00 2.01 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 2.17 2.29 0.00 15 C 7.56 4.57 0.00 2.95 3.06 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 16 D 7.58 3.64 0.00 2.58 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 0.00 0.00 0.00 0.00 17 S 7.02 2.79 0.00 3.78 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 18 N 8.58 4.79 0.00 2.76 2.91 0.00 0.00 7.16 7.60 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 19 E 7.41 4.08 0.00 1.95 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 2.22 2.14 0.00 20 G 6.45 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.48 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.74 4.60 0.00 2.10 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 2.53 2.41 0.00 23 R 8.62 4.15 0.00 1.38 1.51 0.00 2.69 0.00 0.00 2.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 24 A 8.78 5.19 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 0.00 0.00 0.00 0.00 0.00 25 Y 8.89 4.86 0.00 2.92 2.90 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 26 F 8.78 4.76 0.00 2.28 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 R 8.74 4.61 0.00 1.66 1.70 0.00 3.32 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 28 N 8.68 4.74 0.00 2.83 2.76 0.00 0.00 6.23 7.42 0.00 0.00 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 G 8.27 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.19 4.10 0.00 1.91 1.70 0.00 1.84 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.43 7.81 31 G 7.46 4.99 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 0.00 0.00 0.00 32 G 7.00 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 33 C 8.49 4.66 0.00 3.10 3.16 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 34 D 8.83 5.07 0.00 2.40 2.41 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 0.00 35 S 8.69 4.65 0.00 3.22 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.55 5.16 0.00 2.94 3.34 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 0.00 37 W 8.65 5.17 0.00 3.09 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 38 I 8.87 2.30 1.86 0.00 0.00 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 1.60 1.27 0.90 0.00 0.00 39 C 8.00 4.18 0.00 2.81 2.83 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 40 P 0.00 3.61 0.00 1.96 1.96 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 41 E 7.03 3.85 0.00 1.65 1.80 0.00 0.00 0.00 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 2.20 0.00 42 D 7.24 4.74 0.00 2.81 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 43 H 7.66 4.61 0.00 3.21 3.25 0.00 5.76 0.00 0.00 0.00 0.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.99 4.36 4.62 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 1.63 0.00 0.00 45 G 8.50 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 46 A 7.34 2.58 1.55 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 0.00 0.00 47 D 6.96 4.40 0.00 2.47 2.38 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 48 Y 7.57 4.75 0.00 3.05 2.31 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 49 Y 7.57 4.31 0.00 3.17 2.81 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 50 S 8.66 4.54 0.00 4.05 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 51 S 7.69 4.11 0.00 3.98 3.99 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 52 Y 7.80 3.08 0.00 2.61 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 53 R 7.95 3.83 0.00 1.98 1.87 0.00 3.28 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 54 D 7.71 4.06 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.29 3.01 0.00 2.84 2.97 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 0.00 0.00 0.00 56 F 7.74 3.33 0.00 2.33 2.82 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 57 N 8.31 4.36 0.00 2.63 2.80 0.00 0.00 7.11 7.06 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 58 A 7.85 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 7.70 4.68 0.00 2.81 2.92 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 60 I 7.52 3.74 0.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.50 0.00 0.00