NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9277 8.3549 109.7360 45.3309 0.0000 174.7757 3 K 3.8264 7.8778 118.9404 54.9490 32.7617 170.9465 4 V 4.4474 8.7029 123.0259 61.3185 35.4746 173.5116 5 Y 5.0004 8.7755 124.1898 56.1693 40.8515 174.6959 6 K 4.5436 8.1153 122.1578 54.4906 35.5254 174.7278 7 K 5.0437 8.5104 124.5390 54.7073 34.3690 175.8568 8 V 4.5192 8.7592 117.8172 59.4949 35.1989 174.3539 9 E 4.8974 8.7406 124.7059 55.0414 30.4636 174.9456 10 L 4.8680 9.0478 127.1858 52.8669 45.7137 175.9503 11 V 4.7519 8.2191 120.0436 61.1609 33.6498 175.2158 12 G 4.0978 8.7789 116.4712 46.0207 0.0000 171.9431 13 T 5.7881 7.9532 111.5882 59.0227 72.2482 172.8866 14 S 4.6471 8.2579 114.2019 58.1242 65.2974 175.7634 15 E 4.6875 8.9915 123.2851 56.9886 30.1189 177.8004 16 E 4.1676 8.4902 118.8129 57.4579 29.1215 176.5458 17 G 3.3020 7.1836 104.6238 44.2633 0.0000 173.3248 18 L 3.6337 7.2374 118.1576 57.7833 41.4820 179.1270 19 E 3.8856 8.1471 117.7179 59.8137 29.4532 179.4402 20 A 3.9170 7.4381 120.3972 54.9634 18.4574 179.6179 21 A 3.9219 7.9675 119.2905 55.3143 18.4923 179.8482 22 I 3.5048 7.6051 117.7793 64.7533 37.2304 178.5144 23 Q 3.8694 8.2115 118.6652 58.6954 28.5583 178.8262 24 A 3.9015 8.0470 121.5591 55.1019 18.3932 179.4435 25 A 3.8836 7.7364 118.8827 55.4795 18.4897 179.9556 26 L 3.8155 7.9709 117.2150 57.6607 41.3912 179.5790 27 A 3.9594 8.1464 120.5998 55.0197 18.6033 179.4290 28 R 3.9055 7.9126 116.7593 59.4368 30.1731 178.3220 29 A 3.8770 8.0759 120.7969 55.4104 18.0869 179.5989 30 R 3.8107 7.7038 115.6095 58.9994 30.1482 178.5547 31 K 4.1507 7.7159 118.2030 58.6391 32.1177 177.6397 32 T 4.5097 7.6815 105.3407 60.5193 70.4546 173.4808 33 L 4.5089 7.7707 122.0969 52.8037 43.7976 175.8751 34 R 4.5192 7.9670 120.3797 55.6667 33.0797 174.9873 35 H 4.2205 8.5780 114.1736 56.6487 26.1062 175.0699 36 L 4.4812 8.1708 118.5333 55.7165 42.1455 175.9416 37 D 5.1996 9.2603 122.2258 55.3094 43.2281 176.1048 38 W 5.5662 7.8538 113.2621 55.1888 31.8988 173.1050 39 F 5.4156 8.5242 114.2272 55.3148 40.9886 173.6669 40 E 4.7435 9.1957 118.7126 54.6575 33.3735 174.9606 41 V 4.3860 8.6277 124.4001 62.7179 31.9825 175.1438 42 K 4.4975 9.4780 127.6505 57.9424 33.4543 176.7596 43 E 4.8566 7.9900 117.2061 54.6257 34.3901 174.3523 44 I 5.0325 8.4279 122.0330 59.7777 40.1398 174.6362 45 A 4.6743 8.9339 128.1504 51.3943 23.2189 174.1892 46 G 4.1979 8.1688 103.6497 46.6457 0.0000 173.2215 47 T 4.6746 7.9291 110.7803 60.3198 71.4963 173.6279 48 I 4.7984 8.2093 122.3266 59.7625 40.0989 175.6968 49 G 4.2829 8.9599 116.0174 44.5373 0.0000 173.1622 50 E 3.9282 8.9690 117.7627 58.7267 29.7129 177.4669 51 A 4.5880 7.9289 119.2437 51.7589 20.5237 176.3076 52 G 3.9710 7.5701 104.1657 44.1423 0.0000 176.5185 53 V 3.7166 8.2427 126.0502 63.1986 31.2220 175.1825 54 K 4.1204 8.6793 129.4509 58.6946 33.1602 175.8359 55 E 4.9848 7.6752 118.9606 54.4803 32.9766 173.6273 56 Y 4.6390 9.2165 125.3937 57.7977 39.7711 174.6065 57 Q 5.0117 9.4948 122.1954 54.2119 32.7381 174.3452 58 V 4.7143 8.7876 124.8387 60.9841 34.2615 174.4661 59 V 4.5580 8.6784 129.4863 62.1530 32.6352 174.7434 60 L 5.3466 9.1516 127.9595 54.1639 44.4421 174.9685 61 E 4.9551 9.2761 121.0712 55.2334 31.5513 175.0624 62 V 4.5039 8.8381 124.9477 60.9863 34.0634 174.3385 63 G 3.3212 8.0953 115.5165 43.9747 0.0000 172.2344 64 F 5.6276 8.4826 118.1519 55.0233 41.9987 173.4222 65 R 4.2585 8.7393 121.1475 55.8405 30.6370 175.9764 66 L 4.3379 8.3617 127.4494 54.4724 42.2721 177.1999 67 E 4.2162 8.8168 122.9983 55.8668 30.4355 175.8881 68 E 4.2256 9.2264 120.0487 57.3088 30.2670 177.0869 69 T 4.0653 7.6068 119.6834 62.7844 67.8661 172.8600 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 2 G 8.35 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 0.00 0.00 0.00 3 K 7.88 3.83 0.00 1.78 1.36 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.48 7.81 4 V 8.70 4.45 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 1.09 0.00 0.00 0.89 0.00 0.00 5 Y 8.78 5.00 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.54 0.00 1.51 0.74 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.28 7.81 7 K 8.51 5.04 0.00 1.64 1.64 0.00 2.02 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.09 1.39 7.81 8 V 8.76 4.52 2.13 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 0.90 0.00 0.00 1.01 0.00 0.00 9 E 8.74 4.90 0.00 1.98 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 2.23 2.34 0.00 10 L 9.05 4.87 0.00 1.54 1.49 0.86 0.49 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 11 V 8.22 4.75 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.78 4.10 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 0.00 0.00 0.00 13 T 7.95 5.79 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 1.25 0.00 0.00 14 S 8.26 4.65 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 4.69 0.00 2.03 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 2.46 2.30 0.00 16 E 8.49 4.17 0.00 1.97 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 2.34 2.27 0.00 17 G 7.18 3.30 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 0.00 18 L 7.24 3.63 0.00 1.56 1.64 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.15 3.89 0.00 1.98 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 2.39 2.46 0.00 20 A 7.44 3.92 1.39 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 0.00 0.00 0.00 21 A 7.97 3.92 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 22 I 7.61 3.50 1.88 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 1.57 0.57 0.38 0.00 0.00 23 Q 8.21 3.87 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 24 A 8.05 3.90 1.38 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 0.00 0.00 25 A 7.74 3.88 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 26 L 7.97 3.82 0.00 1.57 1.61 0.51 0.47 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 27 A 8.15 3.96 1.31 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 0.00 0.00 28 R 7.91 3.91 0.00 1.93 2.03 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.08 3.88 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 30 R 7.70 3.81 0.00 1.85 2.15 0.00 3.24 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 31 K 7.72 4.15 0.00 1.94 1.81 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 32 T 7.68 4.51 4.17 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 0.00 0.00 0.00 1.17 0.00 0.00 33 L 7.77 4.51 0.00 1.45 0.93 0.36 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.97 4.52 0.00 1.67 1.51 0.00 3.27 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.58 4.22 0.00 3.65 3.51 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.17 4.48 0.00 1.66 1.65 0.84 0.87 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 37 D 9.26 5.20 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 38 W 7.85 5.57 0.00 3.29 3.22 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 39 F 8.52 5.42 0.00 3.01 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 40 E 9.20 4.74 0.00 1.99 1.91 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 2.35 2.52 0.00 41 V 8.63 4.39 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 0.84 0.00 0.00 1.13 0.00 0.00 42 K 9.48 4.50 0.00 1.77 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 43 E 7.99 4.86 0.00 1.88 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 2.31 2.35 0.00 44 I 8.43 5.03 1.92 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 1.32 0.66 1.00 0.00 0.00 45 A 8.93 4.67 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 46 G 8.17 4.20 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 0.00 0.00 0.00 47 T 7.93 4.67 4.20 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 1.19 0.00 0.00 48 I 8.21 4.80 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.93 0.00 0.00 49 G 8.96 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 50 E 8.97 3.93 0.00 1.96 2.02 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 2.30 2.24 0.00 51 A 7.93 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.57 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 53 V 8.24 3.72 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 -0.26 0.00 0.00 0.67 0.00 0.00 54 K 8.68 4.12 0.00 1.85 1.70 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 E 7.68 4.98 0.00 2.05 1.68 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 2.20 2.26 0.00 56 Y 9.22 4.64 0.00 2.99 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 57 Q 9.49 5.01 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.79 4.71 2.09 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 0.98 0.00 0.00 0.96 0.00 0.00 59 V 8.68 4.56 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 0.92 0.00 0.00 1.00 0.00 0.00 60 L 9.15 5.35 0.00 1.97 1.76 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.28 4.96 0.00 1.90 1.89 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 2.30 2.43 0.00 62 V 8.84 4.50 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 0.98 0.00 0.00 0.88 0.00 0.00 63 G 8.10 3.32 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 0.00 0.00 0.00 0.00 64 F 8.48 5.63 0.00 3.37 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 65 R 8.74 4.26 0.00 2.04 1.95 0.00 3.12 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.08 0.00 66 L 8.36 4.34 0.00 1.58 1.54 0.84 0.90 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 67 E 8.82 4.22 0.00 2.00 1.92 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 2.38 2.46 0.00 68 E 9.23 4.23 0.00 1.94 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 2.25 2.25 0.00 69 T 7.61 4.07 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