NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6629 8.1476 120.6148 55.7697 34.1724 173.9196 2 Q 5.0830 8.3747 121.6368 53.1085 32.3085 171.4754 3 I 4.9168 9.5218 116.7750 59.1266 41.0387 176.0751 4 F 4.6450 9.2672 124.0095 57.5856 40.5625 174.8024 5 V 4.5217 8.5371 122.1554 60.7695 32.1892 173.0242 6 K 4.8201 9.1086 127.2163 55.8745 33.1790 175.5940 7 T 4.7741 8.7466 118.0263 60.4305 70.4468 175.2553 8 L 4.0988 8.7804 126.5420 59.0015 42.1363 178.7779 9 T 3.9489 8.2980 108.0155 63.1268 69.6552 174.6134 10 G 4.8068 6.1748 126.4009 44.0753 0.0000 172.1520 11 K 4.5546 8.0325 120.8986 55.7516 36.5863 175.0629 12 T 5.0656 8.6334 117.9601 60.1038 71.1125 173.7856 13 I 4.4532 8.2908 125.0732 59.7393 40.5129 174.5653 14 T 4.4347 8.2702 123.7439 62.6045 69.4476 174.1038 15 L 4.6909 8.4649 126.3750 52.5544 45.0178 175.5045 16 E 4.6144 8.8027 125.5714 56.2139 30.2874 176.2257 17 V 4.5896 8.3659 119.4320 59.7539 36.1875 174.9494 18 E 4.1953 8.8502 124.1672 55.9158 30.1885 178.0989 19 S 4.1805 8.8146 116.5918 61.1494 63.0158 175.6857 20 S 5.0744 7.7320 115.6454 58.1842 64.3129 174.3610 21 D 5.1137 7.4525 132.2328 53.2697 39.5297 178.0821 22 T 4.5043 8.5969 107.6705 59.7090 70.7760 173.5627 23 I 3.6346 8.4166 129.8380 64.5990 37.0947 178.0890 24 D 4.3168 8.1994 118.2754 57.5014 40.9593 177.7355 25 N 4.2537 7.9498 117.0775 56.6893 38.8971 176.8512 26 V 3.5502 7.6341 118.9999 66.0307 31.6332 177.8884 27 K 3.9078 7.9893 118.1356 59.4411 31.8925 179.2032 28 S 4.0648 8.0695 113.2675 61.3422 62.3450 176.3765 29 K 3.9468 8.0261 121.0366 59.6037 31.8327 179.3072 30 I 3.6711 7.8446 120.0585 64.5026 36.9890 178.2503 31 Q 3.9592 8.2248 120.3349 59.0983 28.6254 177.8052 32 D 4.3056 7.8360 118.2036 57.5171 41.3412 178.0739 33 K 4.0891 7.8324 117.9822 59.4376 32.1862 179.0058 34 E 4.1532 8.1688 118.8452 58.4755 29.7046 178.8852 35 G 3.8987 8.1997 105.1282 45.7598 0.0000 172.7419 36 I 4.3762 7.4016 119.2866 58.2159 39.0654 174.2373 37 P 4.3362 0.0000 0.0000 62.0730 31.8563 175.5096 38 P 4.2655 0.0000 0.0000 66.0722 31.4275 177.3991 39 D 4.5039 8.1937 117.5380 57.2724 41.2816 177.8393 40 Q 4.1203 8.2232 117.7794 58.9052 28.9614 176.3376 41 Q 4.5564 7.8789 115.4179 56.2675 29.6436 175.6353 42 R 4.3965 8.7564 122.2247 54.6075 32.2488 175.4559 43 L 5.0320 8.3950 126.0267 54.0739 40.9035 175.7167 44 I 4.4424 8.8652 124.2136 60.8361 39.2206 174.4973 45 F 5.0765 9.2994 124.4917 58.0681 43.4230 173.6192 46 A 3.2359 8.8279 126.4559 53.1399 15.8668 177.4559 47 G 3.8567 8.7609 104.0110 47.4208 0.0000 174.3164 48 K 4.2056 7.6126 116.2740 54.7027 35.7585 173.8143 49 Q 4.5660 8.8866 127.4305 56.4176 29.4932 175.8297 50 L 4.1154 8.6409 127.4217 54.4564 42.3090 176.9483 51 E 4.3071 8.9103 124.1903 56.0501 30.0640 176.8978 52 D 4.3415 8.7390 124.1704 54.4662 40.3268 176.0358 53 G 4.2758 8.8554 109.3302 47.2293 0.0000 173.8213 54 R 4.7167 7.6165 116.8376 53.8086 34.1148 175.7716 55 T 4.4747 8.4479 112.6845 61.2973 69.7685 175.2861 56 L 4.1232 8.0197 125.0865 58.0379 41.3335 179.9564 57 S 4.1652 8.1907 113.0768 61.7569 62.6922 176.0011 58 D 4.4715 7.7619 120.6773 57.3869 40.8092 178.1716 59 Y 4.1378 8.2188 113.5010 57.9897 38.4158 175.0824 60 N 4.2729 8.3428 116.4814 54.0408 36.7799 174.7019 61 I 4.1258 8.0021 118.4109 61.5437 38.2181 177.3393 62 Q 4.4223 8.6163 127.9016 55.5898 29.8517 174.9053 63 K 4.5304 8.4692 119.5739 57.3063 34.5531 175.6446 64 E 4.1809 8.8266 119.1549 57.6326 27.7214 175.1420 65 S 4.1847 7.9146 114.1161 59.1634 64.2183 174.4734 66 T 4.9460 8.4944 121.6969 62.6969 67.7426 172.8301 67 L 4.3450 8.9055 126.5696 54.1290 43.3121 175.7148 68 H 5.3630 9.0514 121.3093 55.1454 30.7896 174.1007 69 L 5.7319 9.0092 123.7592 52.3266 45.0616 175.0622 70 V 4.6644 8.2815 125.9321 60.8339 34.0856 174.3833 71 L 4.3307 8.5364 128.4046 54.8715 41.6861 177.2403 72 R 4.0660 8.6474 124.9411 59.1083 30.6320 177.1809 73 L 4.0141 7.9668 119.2659 56.3149 43.3933 178.1555 74 R 3.5154 9.0800 122.8025 56.3549 29.1943 175.7280 75 G 3.6750 8.6763 112.6978 47.3005 0.0000 173.3019 76 G 3.7669 8.8197 112.9089 45.7555 0.0000 172.6149 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 4.66 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 2 Q 8.37 5.08 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 3 I 9.52 4.92 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.87 0.00 0.00 4 F 9.27 4.64 0.00 3.08 3.02 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 0.00 5 V 8.54 4.52 2.12 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 1.02 0.00 0.00 0.96 0.00 0.00 6 K 9.11 4.82 0.00 1.99 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.40 7.81 7 T 8.75 4.77 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 1.24 0.00 0.00 8 L 8.78 4.10 0.00 1.76 1.76 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.30 3.95 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 1.21 0.00 0.00 10 G 6.17 4.81 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 0.00 0.00 0.00 11 K 8.03 4.55 0.00 1.83 1.61 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.37 7.81 12 T 8.63 5.07 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 13 I 8.29 4.45 1.82 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 1.18 0.83 0.84 0.00 0.00 14 T 8.27 4.43 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 0.99 0.00 0.00 15 L 8.46 4.69 0.00 1.47 1.48 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.80 4.61 0.00 1.95 1.83 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 2.27 2.55 0.00 17 V 8.37 4.59 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 0.66 0.00 0.00 0.91 0.00 0.00 18 E 8.85 4.20 0.00 2.03 1.87 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 2.40 2.29 0.00 19 S 8.81 4.18 0.00 4.02 4.15 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 20 S 7.73 5.07 0.00 3.87 3.91 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 21 D 7.45 5.11 0.00 2.81 1.90 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 22 T 8.60 4.50 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 1.21 0.00 0.00 23 I 8.42 3.63 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.34 0.80 0.00 0.00 24 D 8.20 4.32 0.00 2.83 2.67 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 0.00 0.00 0.00 0.00 25 N 7.95 4.25 0.00 2.79 2.95 0.00 0.00 6.85 9.05 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 26 V 7.63 3.55 2.19 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 1.04 0.00 0.00 0.94 0.00 0.00 27 K 7.99 3.91 0.00 2.02 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.59 7.81 28 S 8.07 4.06 0.00 3.89 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 0.00 29 K 8.03 3.95 0.00 1.96 1.81 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 7.84 3.67 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 0.89 0.00 0.00 31 Q 8.22 3.96 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 32 D 7.84 4.31 0.00 2.69 2.86 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 33 K 7.83 4.09 0.00 1.89 1.79 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.60 7.81 34 E 8.17 4.15 0.00 1.94 1.99 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 2.32 2.45 0.00 35 G 8.20 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 36 I 7.40 4.38 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 38 P 0.00 4.27 0.00 2.17 2.18 0.00 3.77 0.00 0.00 3.75 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 39 D 8.19 4.50 0.00 2.69 2.78 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 40 Q 8.22 4.12 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.10 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 41 Q 7.88 4.56 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.72 0.00 0.00 0.00 0.00 0.00 2.61 2.40 0.00 42 R 8.76 4.40 0.00 1.80 1.91 0.00 3.29 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 43 L 8.39 5.03 0.00 1.55 1.59 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.87 4.44 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.10 0.96 0.00 0.00 45 F 9.30 5.08 0.00 2.97 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 46 A 8.83 3.24 0.99 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 47 G 8.76 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 0.00 0.00 0.00 48 K 7.61 4.21 0.00 1.78 1.64 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.29 7.81 49 Q 8.89 4.57 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 50 L 8.64 4.12 0.00 1.39 1.10 0.76 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.91 4.31 0.00 2.06 1.98 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 2.44 2.48 0.00 52 D 8.74 4.34 0.00 2.95 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 53 G 8.86 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.62 4.72 0.00 2.05 2.10 0.00 3.37 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 55 T 8.45 4.47 4.28 0.00 0.00 0.00 0.00 0.00 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 56 L 8.02 4.12 0.00 2.01 1.83 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.19 4.17 0.00 4.04 4.05 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 58 D 7.76 4.47 0.00 2.84 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 4.14 0.00 3.00 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 60 N 8.34 4.27 0.00 2.90 2.94 0.00 0.00 7.00 7.05 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 61 I 8.00 4.13 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.73 0.85 0.00 0.00 62 Q 8.62 4.42 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 63 K 8.47 4.53 0.00 1.88 1.81 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.45 7.81 64 E 8.83 4.18 0.00 2.08 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 2.57 2.36 0.00 65 S 7.91 4.18 0.00 3.50 3.42 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 0.00 0.00 0.00 0.00 66 T 8.49 4.95 4.29 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 1.32 0.00 0.00 67 L 8.91 4.35 0.00 1.60 1.48 0.34 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.05 5.36 0.00 3.16 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.01 5.73 0.00 1.66 1.48 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.28 4.66 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 1.13 0.00 0.00 0.95 0.00 0.00 71 L 8.54 4.33 0.00 1.57 1.59 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.65 4.07 0.00 1.97 2.08 0.00 3.28 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 73 L 7.97 4.01 0.00 1.62 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.08 3.52 0.00 1.99 1.76 0.00 3.56 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 75 G 8.68 3.68 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 0.00 0.00 0.00 76 G 8.82 3.77 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 0.00 0.00 0.00