NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5897 8.2227 120.3167 53.0754 41.1935 175.5493 2 H 3.7806 8.8568 117.4743 58.8267 29.4300 174.8286 3 Y 3.8765 8.2666 121.0105 60.9223 39.2425 177.1348 4 N 4.4141 8.7859 119.2458 56.0290 38.9358 175.8895 5 C 4.1382 8.4950 120.4492 59.8487 44.2806 175.9064 6 V 3.7493 7.9949 121.3163 65.2045 30.8456 177.6497 7 S 4.1655 8.0954 113.1438 59.8264 62.5842 175.3035 8 S 4.5259 7.5899 116.8242 58.4636 63.4879 174.7599 9 G 3.8765 8.0969 111.2906 44.9680 0.0000 173.6727 10 G 4.0397 8.1075 107.7957 45.2622 0.0000 172.7546 11 Q 4.7997 8.7747 118.1914 54.0338 32.4098 174.5954 12 C 4.9866 8.6472 120.2382 55.9774 39.1640 173.1500 13 L 4.8264 8.6498 123.7377 53.1587 45.4014 176.8296 14 Y 4.5275 8.6744 119.7916 57.0176 38.2192 175.0042 15 S 4.5865 7.2116 114.3074 57.9177 64.4267 176.2657 16 A 4.1283 8.4432 124.0705 51.8319 18.2082 178.5332 17 C 4.6666 8.4944 121.4068 55.3713 41.7572 171.5913 18 P 4.4358 0.0000 0.0000 63.0550 31.4327 175.1105 19 I 3.2171 7.3810 118.6627 60.8143 38.7116 175.4034 20 F 4.2356 8.7052 125.3904 57.6719 36.3926 173.9938 21 T 5.0009 7.7446 110.1525 59.6228 71.9681 173.1496 22 K 4.7397 8.7900 120.3282 54.7468 36.6943 175.2973 23 I 4.2484 8.3450 121.9366 60.8789 38.5361 175.6965 24 Q 4.5302 9.5903 131.0116 56.2300 29.4491 173.6526 25 G 3.7055 7.8391 105.6866 44.2971 0.0000 173.0489 26 T 5.0563 8.0584 108.3782 60.1462 72.1897 172.7438 27 C 4.7468 8.3088 118.2833 55.7133 42.2925 173.3647 28 Y 4.0460 8.9371 115.0802 60.0042 34.5784 171.0200 29 R 3.6005 8.8079 109.3152 57.5507 28.0663 178.2915 30 G 3.9775 8.4912 103.6031 45.8123 0.0000 175.2110 31 K 4.2666 8.0061 118.4730 57.5607 32.6985 176.4088 32 A 4.7412 7.9416 120.0288 49.7391 22.8221 175.0339 33 K 4.5443 8.7436 118.8169 55.3164 34.5353 175.5602 34 C 4.8394 8.7642 124.7843 56.0262 45.3637 171.4412 35 C 5.4067 9.1363 125.3012 55.0518 42.4333 174.2739 36 K 4.1825 8.6027 124.0146 56.7386 32.2969 175.5637 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 D 8.22 4.59 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 H 8.86 3.78 0.00 3.25 3.46 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.27 3.88 0.00 3.14 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 4 N 8.79 4.41 0.00 2.97 2.83 0.00 0.00 6.39 7.18 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 5 C 8.50 4.14 0.00 3.00 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 6 V 7.99 3.75 1.84 0.00 0.00 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 0.78 0.00 0.00 7 S 8.10 4.17 0.00 3.83 3.86 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.59 4.53 0.00 4.05 4.09 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 9 G 8.10 3.88 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 0.00 10 G 8.11 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 11 Q 8.77 4.80 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 12 C 8.65 4.99 0.00 2.57 2.27 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 0.00 13 L 8.65 4.83 0.00 1.49 1.50 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.67 4.53 0.00 2.98 2.96 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 0.00 0.00 0.00 15 S 7.21 4.59 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.44 4.13 1.26 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 0.00 0.00 0.00 17 C 8.49 4.67 0.00 2.96 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 18 P 0.00 4.44 0.00 2.21 2.17 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 19 I 7.38 3.22 1.53 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.20 0.51 0.00 0.00 20 F 8.71 4.24 0.00 3.28 3.13 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 21 T 7.74 5.00 4.37 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 1.35 0.00 0.00 22 K 8.79 4.74 0.00 1.77 1.89 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.36 7.81 23 I 8.35 4.25 1.86 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 1.37 0.79 0.90 0.00 0.00 24 Q 9.59 4.53 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.06 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 25 G 7.84 3.71 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 0.00 26 T 8.06 5.06 4.33 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 1.19 0.00 0.00 27 C 8.31 4.75 0.00 2.01 2.26 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 0.00 28 Y 8.94 4.05 0.00 3.14 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 29 R 8.81 3.60 0.00 2.02 2.06 0.00 3.51 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 30 G 8.49 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.27 0.00 2.27 2.26 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.66 7.81 32 A 7.94 4.74 0.54 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 33 K 8.74 4.54 0.00 1.63 1.67 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.35 7.81 34 C 8.76 4.84 0.00 2.90 2.91 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 0.00 0.00 0.00 35 C 9.14 5.41 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.18 0.00 1.79 1.54 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.37 7.81