NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3740 8.1627 120.3443 55.1183 34.4977 176.8765 2 E 3.9372 7.9558 118.4595 58.1277 30.1156 176.3889 3 T 3.8114 7.9553 115.5800 66.5451 68.9895 175.7040 4 L 3.9386 7.7924 121.7979 57.6154 42.1506 178.8494 5 K 3.7101 7.3575 119.7519 59.5481 32.0505 178.4260 6 I 3.5432 7.8531 120.1340 64.7621 37.0158 178.0752 7 T 3.8406 8.1621 115.7922 67.1403 68.3633 176.1384 8 V 3.6478 7.8226 119.2950 66.6464 31.5362 177.8574 9 Y 4.3739 8.0558 116.0336 61.1893 37.6502 178.4984 10 I 3.7868 8.1739 120.9512 64.5678 37.1707 178.4801 11 V 3.8441 8.3723 119.1793 66.3656 31.3476 178.2963 12 V 3.7367 8.7682 118.6471 66.2230 31.2397 178.1924 13 T 3.9407 8.8116 116.1224 66.3069 68.3044 176.2323 14 F 4.2921 8.6447 122.8639 61.7598 39.4104 177.3793 15 F 3.7415 8.3978 117.2650 60.3296 38.7356 177.9307 16 V 3.6963 8.2177 118.0874 66.1720 31.2473 177.6920 17 L 3.8643 8.4318 119.3140 57.1979 41.4267 179.1038 18 L 3.9029 7.8865 118.6063 58.0541 41.1910 179.5797 19 F 3.9866 8.2343 120.0823 61.3148 39.4496 177.1306 20 V 3.4940 7.7977 117.5482 66.0432 31.3150 177.9102 21 F 4.4000 7.9557 117.3205 60.7819 38.6411 177.7589 22 G 3.9050 8.1160 104.3364 48.0745 0.0000 174.9848 23 F 4.4540 7.5261 118.4229 59.8747 39.0339 178.1325 24 L 4.2453 7.8703 118.4562 57.4723 41.1123 180.2016 25 S 4.5914 8.4838 114.7566 57.4532 63.0556 174.3012 26 G 3.8999 9.0489 112.1240 46.5622 0.0000 174.6053 27 D 4.6059 8.4992 121.6941 56.9133 42.1883 176.5574 28 P 4.1659 0.0000 0.0000 65.7234 31.5840 176.8303 29 A 4.0245 7.4434 119.8715 55.2938 18.1620 177.9777 30 R 4.0428 8.2219 117.1983 57.2967 29.1074 175.8853 31 N 4.2467 8.4926 120.5579 52.0958 38.5138 173.1161 32 P 4.0348 0.0000 0.0000 64.9448 31.7500 177.1626 33 K 4.2605 7.4275 123.0657 55.6532 34.8559 177.8308 34 R 4.0155 8.8321 126.5491 61.1553 28.0501 176.7110 35 K 4.7390 7.3005 122.6074 57.3313 33.0808 173.5195 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 4.37 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 2 E 7.96 3.94 0.00 2.16 1.88 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 2.29 2.47 0.00 3 T 7.96 3.81 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 1.20 0.00 0.00 4 L 7.79 3.94 0.00 1.73 1.62 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.36 3.71 0.00 1.57 1.76 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.60 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.65 0.95 7.81 6 I 7.85 3.54 2.00 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 1.50 0.56 0.92 0.00 0.00 7 T 8.16 3.84 4.38 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 1.23 0.00 0.00 8 V 7.82 3.65 2.21 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 1.14 0.00 0.00 1.04 0.00 0.00 9 Y 8.06 4.37 0.00 3.15 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 10 I 8.17 3.79 2.11 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 1.69 0.91 0.97 0.00 0.00 11 V 8.37 3.84 2.36 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 1.16 0.00 0.00 1.05 0.00 0.00 12 V 8.77 3.74 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 1.06 0.00 0.00 1.05 0.00 0.00 13 T 8.81 3.94 4.50 0.00 0.00 0.00 0.00 0.00 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 14 F 8.64 4.29 0.00 3.10 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 15 F 8.40 3.74 0.00 3.08 3.07 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 16 V 8.22 3.70 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 1.04 0.00 0.00 0.97 0.00 0.00 17 L 8.43 3.86 0.00 1.93 1.84 1.09 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.89 3.90 0.00 1.62 1.58 0.16 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.23 3.99 0.00 3.15 3.25 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 20 V 7.80 3.49 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.04 0.00 0.00 21 F 7.96 4.40 0.00 3.12 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 22 G 8.12 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 0.00 0.00 0.00 23 F 7.53 4.45 0.00 2.83 2.89 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 24 L 7.87 4.25 0.00 2.05 1.81 0.98 0.86 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 25 S 8.48 4.59 0.00 3.93 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 26 G 9.05 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 0.00 0.00 0.00 27 D 8.50 4.61 0.00 3.15 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 28 P 0.00 4.17 0.00 2.08 2.15 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 29 A 7.44 4.02 1.41 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 0.00 0.00 30 R 8.22 4.04 0.00 1.80 1.94 0.00 3.41 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 31 N 8.49 4.25 0.00 2.84 2.80 0.00 0.00 6.28 7.75 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 32 P 0.00 4.03 0.00 2.07 2.12 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 33 K 7.43 4.26 0.00 1.70 1.71 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.42 7.81 34 R 8.83 4.02 0.00 1.92 2.16 0.00 3.20 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 35 K 7.30 4.74 0.00 1.81 2.08 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.44 7.81