NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 R 4.4552 8.2549 119.7193 54.5813 32.1225 175.0272 1 P 3.8670 0.0000 0.0000 62.3330 31.6053 171.8314 2 V 2.1515 8.1229 124.0163 65.7679 32.4899 176.7542 3 H 4.4127 7.8685 112.7431 56.5183 28.8985 175.2117 4 L 4.4261 9.4497 120.2548 54.0316 42.6304 175.8741 5 W 4.4380 8.2337 118.2815 58.0325 29.3493 176.2247 6 G 4.1229 8.8500 112.2381 44.9163 0.0000 173.7073 7 T 3.8791 8.5630 112.8245 65.3767 66.8678 175.4729 8 E 4.1335 8.1331 119.5844 58.6496 29.4944 178.8139 9 E 3.5694 8.1236 119.2947 59.0257 29.4483 179.1859 10 V 3.6879 7.8106 117.5250 66.0564 31.5987 177.3241 11 A 4.0055 7.7042 120.3810 55.5969 18.0636 178.9960 12 A 3.8136 7.6661 118.8089 55.3538 18.2378 179.4669 13 W 4.3958 7.6516 125.8682 60.8211 30.9656 178.1261 14 L 3.3697 8.2471 118.6433 57.7515 40.9788 179.3038 15 E 4.1653 8.2224 118.7130 58.8863 29.3081 177.8463 16 H 4.3624 8.1785 117.4417 57.6620 30.0834 175.8627 17 L 4.2469 6.8228 118.4850 53.3931 42.3804 175.9423 18 S 3.7782 7.5311 113.9569 60.2197 60.6337 171.4347 19 L 4.8710 8.0125 116.2355 53.9878 42.9307 179.3165 20 C 4.0812 8.2907 118.9492 62.8156 27.8934 174.6926 21 E 3.9984 8.0242 116.4103 58.1293 29.3389 177.2129 22 Y 4.7038 7.9005 116.7304 57.8112 38.9762 177.2036 23 K 4.0011 8.4460 120.8633 60.4838 32.1242 177.3680 24 D 4.5358 8.4869 118.9699 56.4401 40.4903 178.1133 25 I 3.8166 7.9690 113.0744 64.9562 37.9175 178.2671 26 F 4.0368 8.6605 119.3976 59.8309 38.6508 177.6599 27 T 4.2475 7.5757 116.1727 65.1485 68.5565 177.1446 28 R 3.9338 8.3070 118.8449 59.9292 30.1555 177.9505 29 H 4.3515 8.9443 111.1761 55.3644 28.4111 175.0799 30 D 4.3657 7.8538 117.6378 55.3888 39.7434 176.2799 31 I 3.9860 7.4877 119.1665 61.0368 35.8792 177.3841 32 R 4.4482 8.1598 125.3482 55.4868 32.5168 176.0072 33 G 3.9506 9.0962 107.1525 47.6282 0.0000 175.3013 34 S 4.1542 8.1058 113.9660 60.7179 62.4798 176.7644 35 G 3.8703 7.5893 107.2037 48.1275 0.0000 174.9841 36 L 3.9521 7.6497 121.4148 57.7054 41.5582 179.7878 37 L 3.8902 7.3037 116.1437 57.1583 41.7012 177.6826 38 H 4.8442 8.1439 113.4737 54.7384 30.3549 173.6624 39 L 4.2535 7.9228 120.2989 55.2984 42.1683 176.4357 40 E 4.8009 9.7021 121.9880 53.9489 33.3566 177.2672 41 R 3.8486 8.5974 120.5571 59.9293 30.1465 178.7619 42 R 3.9168 7.9611 117.1860 59.3211 30.1455 178.2979 43 D 4.3480 8.1351 118.6848 57.6285 40.7295 179.1682 44 L 3.9618 7.8551 118.5752 57.7990 41.6898 179.5778 45 K 4.2808 8.0200 119.7303 59.1237 31.7450 179.1792 46 D 4.4602 8.5130 118.6056 56.8688 40.8626 177.9286 47 L 4.0625 8.0584 117.3912 55.2562 41.7400 176.7934 48 G 4.1745 7.8435 107.3266 45.4706 0.0000 174.9523 49 V 3.9710 7.6942 120.1473 63.3669 31.9946 176.4068 50 T 4.3711 8.5273 114.1573 62.0829 70.7367 174.4746 51 K 4.0031 8.1721 122.0986 56.2037 32.5210 177.5297 52 V 3.6750 8.4226 124.7756 66.2163 31.6676 177.8800 53 G 3.9740 8.2347 104.4998 47.6141 0.0000 174.3351 54 H 4.5726 9.2651 118.3158 58.1156 29.4360 177.0547 55 M 4.0258 7.8942 119.9009 58.4215 31.8594 178.5896 56 K 4.1854 8.6240 118.6553 59.6554 32.3075 179.0344 57 R 3.8828 7.7678 118.1753 59.6739 29.6685 178.5931 58 I 3.7377 8.0840 118.3543 64.4239 37.5447 177.8928 59 L 4.2327 8.8777 120.9868 58.4272 41.5625 179.6257 60 C 4.4045 8.9158 116.6778 62.3999 27.8551 176.2250 61 G 4.2097 8.0381 106.5166 48.0266 0.0000 175.6402 62 I 3.8966 7.7835 122.3715 64.1198 37.3177 177.9481 63 K 3.5764 8.0870 120.3172 59.5304 32.1640 177.6755 64 E 4.1847 8.3941 117.7533 57.5435 29.1419 176.7727 65 L 4.4396 7.9075 116.6563 56.7128 43.7501 177.7771 66 S 4.0609 7.8357 115.4721 62.0880 63.2677 175.1946 67 R 4.0688 7.5899 122.4293 56.7198 29.7528 176.6851 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 0 R 8.25 4.46 0.00 1.90 2.25 0.00 3.30 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 1 P 0.00 3.87 0.00 1.99 1.99 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 2 V 8.12 2.15 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.30 0.00 0.00 3 H 7.87 4.41 0.00 3.25 3.29 0.00 5.55 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 4 L 9.45 4.43 0.00 1.41 1.77 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 5 W 8.23 4.44 0.00 3.42 3.08 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 0.00 0.00 0.00 0.00 6 G 8.85 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 7 T 8.56 3.88 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 1.24 0.00 0.00 8 E 8.13 4.13 0.00 2.08 1.93 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 2.38 2.43 0.00 9 E 8.12 3.57 0.00 2.08 1.12 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 2.23 2.05 0.00 10 V 7.81 3.69 2.43 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 1.42 0.00 0.00 1.29 0.00 0.00 11 A 7.70 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 3.81 1.15 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 0.00 0.00 13 W 7.65 4.40 0.00 3.24 3.67 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 14 L 8.25 3.37 0.00 1.82 1.67 0.36 0.31 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 15 E 8.22 4.17 0.00 1.99 2.03 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 2.27 2.27 0.00 16 H 8.18 4.36 0.00 3.17 3.20 0.00 5.80 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 6.82 4.25 0.00 1.26 1.31 -0.44 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.53 3.78 0.00 3.90 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 19 L 8.01 4.87 0.00 1.52 1.68 0.61 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.29 4.08 0.00 2.91 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 21 E 8.02 4.00 0.00 1.79 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 2.07 1.55 0.00 22 Y 7.90 4.70 0.00 3.01 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 23 K 8.45 4.00 0.00 1.85 1.92 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 24 D 8.49 4.54 0.00 2.84 2.64 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 25 I 7.97 3.82 1.98 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.40 1.05 0.00 0.00 26 F 8.66 4.04 0.00 3.42 3.33 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 27 T 7.58 4.25 4.59 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 1.26 0.00 0.00 28 R 8.31 3.93 0.00 1.89 1.98 0.00 3.23 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 29 H 8.94 4.35 0.00 2.98 3.28 0.00 6.00 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.85 4.37 0.00 2.74 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 31 I 7.49 3.99 2.13 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 1.31 0.44 0.96 0.00 0.00 32 R 8.16 4.45 0.00 1.85 1.92 0.00 3.37 0.00 0.00 3.40 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.66 0.00 33 G 9.10 3.95 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 0.00 0.00 0.00 34 S 8.11 4.15 0.00 3.89 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 35 G 7.59 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 36 L 7.65 3.95 0.00 1.76 1.52 0.53 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.30 3.89 0.00 1.74 1.55 0.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.14 4.84 0.00 2.99 3.26 0.00 5.87 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.92 4.25 0.00 1.66 1.64 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 E 9.70 4.80 0.00 1.89 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 2.21 2.44 0.00 41 R 8.60 3.85 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 42 R 7.96 3.92 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 43 D 8.14 4.35 0.00 2.76 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 44 L 7.86 3.96 0.00 1.87 1.74 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.02 4.28 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 46 D 8.51 4.46 0.00 2.73 2.71 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 47 L 8.06 4.06 0.00 1.71 1.59 -0.14 0.74 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 48 G 7.84 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 0.00 0.00 0.00 0.00 49 V 7.69 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 0.88 0.00 0.00 0.69 0.00 0.00 50 T 8.53 4.37 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 1.32 0.00 0.00 51 K 8.17 4.00 0.00 1.60 1.67 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.51 7.81 52 V 8.42 3.68 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 1.05 0.00 0.00 0.94 0.00 0.00 53 G 8.23 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 54 H 9.27 4.57 0.00 3.38 3.22 0.00 5.66 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 55 M 7.89 4.03 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 56 K 8.62 4.19 0.00 1.73 1.88 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.62 7.81 57 R 7.77 3.88 0.00 2.04 2.03 0.00 2.94 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 58 I 8.08 3.74 2.10 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 1.32 0.00 0.00 59 L 8.88 4.23 0.00 1.76 1.77 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.92 4.40 0.00 3.02 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 61 G 8.04 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 0.00 0.00 0.00 0.00 62 I 7.78 3.90 2.13 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.22 0.82 0.00 0.00 63 K 8.09 3.58 0.00 1.80 1.83 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.44 7.81 64 E 8.39 4.18 0.00 2.28 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 0.00 2.40 2.34 0.00 65 L 7.91 4.44 0.00 1.67 1.32 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.84 4.06 0.00 3.78 3.84 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 0.00 0.00 0.00 67 R 7.59 4.07 0.00 2.09 1.85 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00