NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0087 8.0501 120.3921 62.8054 32.6566 174.1380 2 A 4.6326 8.0223 126.2699 47.3627 22.3318 173.5745 3 P 4.3374 0.0000 0.0000 62.6310 33.0680 175.5872 4 T 3.9666 8.4942 118.4283 63.5458 70.4962 174.7549 5 L 3.9761 8.5933 123.1453 58.5049 41.6586 179.9810 6 T 3.8760 7.9896 108.4944 65.0604 68.5693 175.8934 7 A 3.9709 8.0031 123.3381 54.5870 18.3600 179.5853 8 R 3.7903 8.0596 116.5215 59.3199 30.1384 178.6263 9 L 3.6610 7.8036 119.9812 59.1206 41.8793 177.6842 10 Y 3.4912 8.5096 119.0893 61.2243 38.3183 178.1840 11 S 3.9484 8.6377 117.8987 60.9166 63.2881 175.9075 12 L 4.1814 7.5544 123.3656 56.9053 42.1805 177.5189 13 L 4.6368 7.8884 116.5473 54.6019 43.8168 177.1811 14 F 5.0939 8.0986 115.3427 57.2784 39.5403 176.7141 15 R 3.6693 7.3012 120.9573 59.2367 30.4405 176.7504 16 R 4.0840 7.7068 116.3464 55.9955 31.2107 177.7695 17 T 3.7726 8.5618 115.3842 64.7417 68.6863 176.3716 18 S 4.1590 8.1768 117.8842 61.9336 62.8614 176.7269 19 T 3.9253 7.8914 111.6817 64.6235 68.6496 175.8317 20 F 4.1763 8.6229 123.6574 61.2546 39.3892 176.9885 21 A 4.1018 9.0075 120.5035 54.9705 18.1139 178.9939 22 L 3.8692 8.0139 118.8810 59.5708 42.0536 178.5355 23 T 3.6549 9.1170 113.2879 66.6741 68.0751 177.0742 24 I 3.4580 7.2733 121.5786 64.1946 37.6610 177.6311 25 V 3.6882 8.4196 119.5788 66.2127 31.3234 177.8352 26 V 3.6218 8.0778 118.0734 66.1408 31.2226 178.0482 27 G 3.6373 8.6202 105.2630 48.0090 0.0000 175.0462 28 A 4.0160 8.7786 124.8141 55.5044 17.8858 178.7493 29 L 4.0789 8.1630 118.8660 57.3757 42.1514 178.7240 30 F 4.0913 9.0732 117.1882 60.9012 39.2743 177.4359 31 F 3.9547 9.1416 120.4314 61.4761 39.0863 176.6164 32 E 4.1313 8.4016 116.8386 59.8706 29.0632 179.2985 33 R 3.7959 7.7509 118.7815 58.8618 30.2439 178.2509 34 A 3.8293 7.6457 119.9526 55.7973 18.3451 178.4618 35 F 3.5673 8.1619 118.1937 62.2156 38.9745 176.8589 36 D 4.3056 8.8978 116.1540 57.6291 40.9388 179.0419 37 Q 4.2884 8.8764 119.9058 59.6934 29.2307 180.1226 38 G 3.4277 8.5697 106.2663 47.6751 0.0000 175.4699 39 A 3.7455 8.1968 124.2394 54.7971 18.1906 179.2866 40 D 4.3133 8.9453 118.3418 57.2877 40.9591 178.4135 41 A 3.9758 8.0870 121.0763 55.6517 18.2455 179.3772 42 I 3.6075 7.7534 117.8936 65.0675 37.0252 177.9406 43 Y 4.0895 7.4653 118.3589 60.6386 38.8592 177.3358 44 E 4.0368 8.7895 119.9935 59.6926 29.3790 178.2941 45 H 3.9277 8.5843 118.5299 59.8873 29.6297 176.9180 46 I 3.6575 7.3571 120.0039 63.0745 38.2115 175.9552 47 N 4.9619 7.6856 115.8403 51.5219 38.8715 174.6948 48 E 3.5516 7.9637 119.5688 57.4752 30.4010 179.5410 49 G 3.9772 7.8691 110.3756 46.0048 0.0000 174.5405 50 K 4.1695 7.8408 118.5595 58.0869 32.7351 177.2278 51 L 4.9945 7.8649 118.8075 52.6765 43.5905 177.0504 52 W 4.4578 9.9144 120.8364 60.0114 27.4641 178.1215 53 K 3.0522 5.6600 118.5440 59.4711 31.3160 177.7202 54 H 4.3148 7.7789 114.9185 58.5505 29.1032 177.1554 55 I 4.1459 7.6860 119.7121 61.6346 37.0657 177.5111 56 K 3.8490 8.0804 120.9111 59.6663 31.6338 176.5194 57 H 4.1444 7.6926 111.5571 57.7242 28.5865 179.4994 58 K 4.2961 5.9324 117.6509 57.0144 36.4783 175.7100 59 Y 4.3276 7.5993 122.9343 54.8108 38.3711 175.4213 60 E 4.4115 8.2169 118.9204 55.1397 32.6181 175.4366 61 N 4.0846 9.6055 123.1025 54.2976 36.8770 173.8316 62 K 4.0108 7.5794 119.9511 56.6994 31.9244 176.3786 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 V 8.05 4.01 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 0.96 0.00 0.00 0.93 0.00 0.00 2 A 8.02 4.63 1.22 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 0.00 0.00 0.00 3 P 0.00 4.34 0.00 2.24 2.06 0.00 3.54 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 4 T 8.49 3.97 4.23 0.00 0.00 0.00 0.00 0.00 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 5 L 8.59 3.98 0.00 1.69 1.75 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.99 3.88 4.32 0.00 0.00 0.00 0.00 0.00 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 7 A 8.00 3.97 1.30 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 0.00 0.00 0.00 8 R 8.06 3.79 0.00 2.14 1.96 0.00 3.14 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 9 L 7.80 3.66 0.00 1.94 1.47 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.51 3.49 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.64 3.95 0.00 4.12 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 12 L 7.55 4.18 0.00 1.75 1.60 0.89 0.92 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 13 L 7.89 4.64 0.00 1.43 1.68 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.10 5.09 0.00 2.54 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 15 R 7.30 3.67 0.00 1.65 1.84 0.00 3.29 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 16 R 7.71 4.08 0.00 1.90 1.87 0.00 3.19 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 17 T 8.56 3.77 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 1.07 0.00 0.00 18 S 8.18 4.16 0.00 3.89 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 19 T 7.89 3.93 4.27 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 1.22 0.00 0.00 20 F 8.62 4.18 0.00 3.18 3.10 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 21 A 9.01 4.10 1.40 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 0.00 0.00 22 L 8.01 3.87 0.00 2.00 1.86 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 23 T 9.12 3.65 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 1.16 0.00 0.00 24 I 7.27 3.46 1.86 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.87 0.00 0.00 25 V 8.42 3.69 2.20 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 1.00 0.00 0.00 0.99 0.00 0.00 26 V 8.08 3.62 1.97 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 0.61 0.00 0.00 0.88 0.00 0.00 27 G 8.62 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 4.02 1.40 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 0.00 0.00 29 L 8.16 4.08 0.00 1.90 2.01 1.03 1.17 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 30 F 9.07 4.09 0.00 3.10 3.19 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 0.00 0.00 0.00 0.00 31 F 9.14 3.95 0.00 3.25 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 32 E 8.40 4.13 0.00 2.38 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 2.56 2.41 0.00 33 R 7.75 3.80 0.00 1.86 1.85 0.00 3.03 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 34 A 7.65 3.83 1.21 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 0.00 0.00 0.00 35 F 8.16 3.57 0.00 2.26 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 36 D 8.90 4.31 0.00 2.86 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 37 Q 8.88 4.29 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 38 G 8.57 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 3.75 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 40 D 8.95 4.31 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.98 1.34 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 0.00 0.00 42 I 7.75 3.61 2.06 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 1.37 1.54 0.94 0.00 0.00 43 Y 7.47 4.09 0.00 2.87 3.20 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 44 E 8.79 4.04 0.00 2.05 2.00 0.00 0.00 0.00 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 2.62 0.00 45 H 8.58 3.93 0.00 3.17 3.51 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.36 3.66 1.72 0.00 0.00 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 1.64 0.57 0.87 0.00 0.00 47 N 7.69 4.96 0.00 2.48 2.64 0.00 0.00 7.00 7.59 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 48 E 7.96 3.55 0.00 1.87 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 2.34 2.02 0.00 49 G 7.87 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 50 K 7.84 4.17 0.00 1.93 1.92 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.37 7.81 51 L 7.86 4.99 0.00 1.46 1.64 0.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.91 4.46 0.00 3.60 3.45 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 0.00 53 K 5.66 3.05 0.00 0.79 0.98 0.00 1.42 0.00 0.00 1.30 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.04 1.17 7.81 54 H 7.78 4.31 0.00 3.15 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.69 4.15 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.99 0.00 0.00 56 K 8.08 3.85 0.00 1.79 1.72 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.54 7.81 57 H 7.69 4.14 0.00 3.37 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 5.93 4.30 0.00 1.96 1.91 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.52 7.81 59 Y 7.60 4.33 0.00 2.98 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 E 8.22 4.41 0.00 2.15 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 0.00 2.39 2.21 0.00 61 N 9.61 4.08 0.00 2.82 2.81 0.00 0.00 7.31 6.68 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 62 K 7.58 4.01 0.00 1.88 1.74 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.32 7.81