NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4817 8.3344 116.8051 58.3109 64.8231 173.0022 8 D 4.8561 7.9713 120.2403 51.5947 43.0640 173.9452 9 F 5.5263 8.8188 117.7831 55.2946 42.0616 173.5387 10 V 4.6893 9.2478 112.2916 59.6162 35.4862 174.8018 11 V 4.8105 8.6028 124.0078 61.4055 33.7690 174.4887 12 I 4.9504 9.0751 128.4798 59.4545 40.7344 174.0595 13 K 5.0724 9.3375 129.0767 54.4300 34.6973 174.7529 14 A 4.6326 8.7957 129.9005 51.8557 19.2811 177.5930 15 L 4.6525 9.1074 122.8523 55.1196 42.8872 175.7646 16 E 4.7855 7.7374 116.3040 54.6584 33.6716 174.3683 17 D 4.6848 8.7307 119.2372 54.8796 41.5896 176.0767 18 G 3.8658 8.3676 106.8362 46.7300 0.0000 174.4162 19 V 3.9700 7.8394 119.2336 62.3025 33.2674 174.1855 20 N 5.2254 9.3833 126.0790 51.9382 41.3748 173.3202 21 V 4.5351 8.7767 127.8748 61.6623 33.0763 174.0898 22 I 4.5890 8.9516 130.4509 59.6314 39.1720 175.1714 23 G 4.4122 9.5581 115.8103 44.9270 0.0000 172.5622 24 L 5.3856 9.0098 124.4703 52.9808 45.7897 175.9785 25 T 4.1940 7.9857 108.0770 61.4543 71.1212 174.8486 26 R 4.0663 8.6171 127.6210 58.4194 28.9936 177.9278 27 G 3.9897 9.1533 108.1953 46.3753 0.0000 174.4955 28 A 3.8323 7.7994 123.1601 53.6578 16.3481 179.1317 29 D 4.5984 8.4446 119.7079 54.2127 43.1754 179.9422 30 T 4.2341 7.0113 117.6929 61.1645 71.0564 173.1588 31 R 3.8682 8.6742 119.3473 57.9957 29.7487 178.2315 32 F 4.7066 8.6477 120.4231 56.8341 37.3887 176.4272 33 H 4.0861 8.1513 121.4008 60.3633 30.2741 174.0788 34 H 4.6479 8.3216 119.9978 55.2932 32.2872 172.5149 35 S 5.0482 8.5862 120.8110 57.1480 64.5313 173.2205 36 E 4.4825 8.5393 128.2266 55.5118 32.5384 174.8849 37 K 4.7884 8.6852 130.9433 54.8468 33.1300 172.6634 38 L 4.9889 9.0349 123.4209 52.6276 45.4314 175.4756 39 D 5.1518 9.8992 123.3809 51.8684 43.8857 175.8463 40 K 4.0929 8.0274 121.4676 58.0224 32.2343 176.9986 41 G 4.0175 9.2583 115.8077 45.0554 0.0000 173.3109 42 E 4.2879 8.3571 119.9649 56.2173 30.9175 175.9730 43 V 4.9152 8.2613 121.6429 61.0484 34.4106 174.1604 44 L 4.6621 9.1208 130.0873 53.3766 44.5319 175.0013 45 I 4.8498 8.4685 126.9289 59.8964 38.3226 174.2850 46 A 4.6512 9.0050 130.2764 50.1554 20.9186 175.3124 47 Q 5.0121 8.4959 123.4287 54.2862 31.5913 174.8280 48 F 4.4959 8.7213 124.2552 57.5207 39.6428 175.9128 49 T 4.5700 8.4375 114.9013 59.8827 71.1844 174.2150 50 E 4.1484 8.7678 118.5435 59.8678 29.8629 177.7012 51 H 3.9964 8.4561 115.5618 57.9488 28.7863 174.8338 52 T 4.7194 7.5255 115.6875 61.7609 68.7521 174.0353 53 S 4.5011 8.8077 122.3047 60.5800 63.8449 174.5902 54 A 5.1501 8.0686 120.3968 49.7694 22.9702 174.7248 55 I 4.9676 8.5317 119.3150 59.4134 40.5113 174.8151 56 K 4.6046 9.3443 128.7251 54.5630 34.6738 174.8156 57 V 4.8137 8.4182 126.5255 61.1893 33.7144 174.2641 58 R 4.4686 9.0810 129.3154 55.0062 32.0852 174.6117 59 G 4.1151 8.8615 111.3085 43.2330 0.0000 172.8648 60 K 5.1213 9.1614 118.9046 55.3636 32.7442 176.6176 61 A 5.1158 8.7334 126.1009 50.5652 23.5756 173.6478 62 Y 5.0017 9.2513 121.3616 56.0330 41.0127 174.5697 63 I 4.9369 8.5395 127.4359 59.5427 40.8895 174.2644 64 Q 4.9152 8.9732 126.5830 54.3527 30.9820 174.9650 65 T 4.7591 8.5844 113.4253 59.1694 72.3014 174.7160 66 R 3.6610 8.5362 121.3746 59.7431 29.8082 176.3557 67 H 4.6835 7.4916 112.6585 55.5485 28.9173 174.0268 68 G 3.7088 8.0324 107.0366 44.1901 0.0000 173.5442 69 V 4.5171 7.8139 111.3354 60.7309 33.4779 175.5469 70 I 4.4233 8.1814 120.7913 60.1207 41.8737 172.5170 71 E 5.2574 8.7657 127.9835 54.3791 31.9592 174.9267 72 S 4.6735 9.1594 122.3328 56.3946 65.0219 174.6599 73 E 5.0073 8.2980 123.8060 54.5605 29.6630 176.1926 74 G 4.0549 8.0166 111.3881 46.2826 0.0000 172.5594 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 7 S 8.33 4.48 0.00 3.92 4.03 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 8 D 7.97 4.86 0.00 2.81 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 9 F 8.82 5.53 0.00 3.14 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 10 V 9.25 4.69 2.07 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 0.73 0.00 0.00 0.92 0.00 0.00 11 V 8.60 4.81 2.14 0.00 0.00 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 0.00 0.00 1.16 0.00 0.00 12 I 9.08 4.95 1.88 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 1.10 0.52 0.92 0.00 0.00 13 K 9.34 5.07 0.00 1.87 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.80 4.63 1.33 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 0.00 0.00 0.00 15 L 9.11 4.65 0.00 1.58 1.73 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.74 4.79 0.00 1.97 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 2.26 2.33 0.00 17 D 8.73 4.68 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 19 V 7.84 3.97 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 0.97 0.00 0.00 1.01 0.00 0.00 20 N 9.38 5.23 0.00 2.78 2.62 0.00 0.00 6.63 7.74 0.00 0.00 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 V 8.78 4.54 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 0.88 0.00 0.00 0.92 0.00 0.00 22 I 8.95 4.59 1.91 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 1.17 0.44 1.00 0.00 0.00 23 G 9.56 4.41 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 0.00 24 L 9.01 5.39 0.00 1.88 1.59 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.99 4.19 4.21 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 1.17 0.00 0.00 26 R 8.62 4.07 0.00 1.98 1.77 0.00 3.16 0.00 0.00 3.23 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 27 G 9.15 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 0.00 0.00 0.00 0.00 28 A 7.80 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 29 D 8.44 4.60 0.00 2.61 2.50 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 0.00 30 T 7.01 4.23 4.01 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 0.00 0.00 1.08 0.00 0.00 31 R 8.67 3.87 0.00 2.06 1.92 0.00 3.24 0.00 0.00 3.51 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 32 F 8.65 4.71 0.00 3.13 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 33 H 8.15 4.09 0.00 3.13 3.41 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.32 4.65 0.00 3.05 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.59 5.05 0.00 3.92 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 4.48 0.00 1.91 1.77 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 2.18 2.28 0.00 37 K 8.69 4.79 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.65 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 9.03 4.99 0.00 1.64 1.54 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.90 5.15 0.00 2.82 2.65 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 0.00 0.00 0.00 0.00 40 K 8.03 4.09 0.00 1.77 1.77 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.51 7.81 41 G 9.26 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 0.00 0.00 0.00 42 E 8.36 4.29 0.00 2.07 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 2.33 2.26 0.00 43 V 8.26 4.92 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.12 4.66 0.00 1.74 1.47 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 4.85 1.72 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 1.22 0.90 0.61 0.00 0.00 46 A 9.00 4.65 1.13 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 0.00 0.00 47 Q 8.50 5.01 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 48 F 8.72 4.50 0.00 3.07 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 49 T 8.44 4.57 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 1.24 0.00 0.00 50 E 8.77 4.15 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 51 H 8.46 4.00 0.00 3.10 3.36 0.00 5.85 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 52 T 7.53 4.72 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 1.29 0.00 0.00 53 S 8.81 4.50 0.00 3.92 4.01 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 0.00 0.00 0.00 54 A 8.07 5.15 1.29 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 0.00 0.00 0.00 55 I 8.53 4.97 1.82 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.91 0.00 0.00 56 K 9.34 4.60 0.00 1.80 1.67 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.38 7.81 57 V 8.42 4.81 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 0.85 0.00 0.00 0.93 0.00 0.00 58 R 9.08 4.47 0.00 1.90 1.74 0.00 3.11 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 59 G 8.86 4.12 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 0.00 0.00 0.00 60 K 9.16 5.12 0.00 1.78 1.79 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.63 7.81 61 A 8.73 5.12 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 62 Y 9.25 5.00 0.00 2.98 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 63 I 8.54 4.94 1.87 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 1.20 0.62 0.90 0.00 0.00 64 Q 8.97 4.92 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 65 T 8.58 4.76 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 1.18 0.00 0.00 66 R 8.54 3.66 0.00 1.59 1.77 0.00 3.19 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 67 H 7.49 4.68 0.00 3.11 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.03 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 69 V 7.81 4.52 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.99 0.00 0.00 70 I 8.18 4.42 1.83 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 1.11 0.85 0.86 0.00 0.00 71 E 8.77 5.26 0.00 2.10 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 0.00 2.23 2.37 0.00 72 S 9.16 4.67 0.00 3.91 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 73 E 8.30 5.01 0.00 1.95 1.94 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 2.22 2.28 0.00 74 G 8.02 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 0.00 0.00 0.00