NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9218 8.3549 109.7360 44.5967 0.0000 172.9980 3 K 3.5890 8.3999 118.1663 56.0231 32.5367 171.0527 4 V 4.4963 8.6617 121.8256 61.3485 35.5597 173.5229 5 Y 5.0559 8.7261 123.3826 56.0440 41.2631 174.6827 6 K 4.5374 8.2460 122.2911 54.4754 35.5132 174.7396 7 K 4.9553 8.5049 124.6881 54.7032 34.3539 175.8479 8 V 4.5063 8.6896 117.8325 59.4975 35.2050 174.4602 9 E 4.9182 8.7333 124.5768 55.0134 30.4764 174.8917 10 L 4.8933 9.0161 127.2884 52.8049 45.8420 176.0502 11 V 4.7376 8.3012 120.6894 61.1707 33.6071 175.1704 12 G 4.1272 8.6697 116.1746 45.9049 0.0000 171.9527 13 T 5.7769 8.0031 111.6263 59.0231 72.1704 172.9133 14 S 4.6550 8.2520 114.5649 57.9740 65.2867 175.6030 15 E 4.4589 8.9703 123.7502 57.4807 30.0482 178.0701 16 E 4.1475 8.5436 118.7844 57.3852 30.1822 176.6180 17 G 3.3419 7.1655 104.4063 44.3843 0.0000 173.2559 18 L 3.7870 7.3601 118.1042 57.8877 41.5179 179.1980 19 E 3.8916 8.1401 117.7531 59.7088 29.3942 179.3915 20 A 3.9320 7.9137 119.6933 54.7444 18.4853 179.4582 21 A 3.8779 7.7381 119.0522 55.3966 18.5433 179.7217 22 I 3.4977 7.7218 118.3147 64.8524 37.1202 178.7823 23 Q 3.9188 8.2313 118.4391 58.6560 28.4758 178.8078 24 A 3.9184 7.8977 121.8885 54.8708 18.3257 179.5020 25 A 3.8668 7.7207 118.7707 55.4563 18.5421 179.9711 26 L 3.8339 7.8503 117.2410 57.7291 41.3848 179.6311 27 A 3.9671 8.0471 120.4861 54.9886 18.6922 179.3968 28 R 3.9253 7.8796 116.6056 59.2711 30.1655 178.2095 29 A 3.8912 8.1755 121.0644 55.4955 18.1098 179.6795 30 R 3.7990 7.7971 115.2706 59.1445 30.1210 178.5429 31 K 4.1576 7.7628 117.6736 58.5965 32.0976 177.7017 32 T 4.5014 7.6870 105.6231 60.5621 70.5315 173.6001 33 L 4.5069 7.7237 121.6436 52.7995 43.6701 175.8285 34 R 4.5551 7.7805 119.5865 55.6377 33.4526 174.7622 35 H 4.2024 8.6127 113.9434 56.6309 26.0945 175.0592 36 L 4.4316 8.2100 118.8484 55.8162 42.0283 175.8606 37 D 5.2102 9.2929 122.7742 55.2900 43.0273 176.2642 38 W 5.5540 7.9036 113.2533 55.2697 31.9534 172.9859 39 F 5.3510 8.3877 113.9701 55.3388 40.8084 173.6059 40 E 4.7597 9.3457 119.3417 54.6252 33.2272 175.0680 41 V 4.3285 8.6239 124.1929 62.7088 31.9934 175.2008 42 K 4.5492 9.6790 127.8242 57.7536 33.9627 176.5239 43 E 4.8515 7.9691 116.7999 54.7770 34.4571 174.3559 44 I 5.0582 8.3996 121.8877 59.8168 40.1152 174.7002 45 A 4.6495 8.9919 128.0800 51.4833 23.1513 174.3346 46 G 4.1988 8.0177 104.5463 46.8402 0.0000 172.7150 47 T 4.7518 7.7434 110.2271 60.0096 71.7478 173.5716 48 I 4.7725 8.2242 122.5618 59.8046 39.9559 175.4152 49 G 4.2879 8.8670 116.9349 44.5031 0.0000 172.9832 50 E 3.9331 8.9429 117.6795 58.6647 29.7486 177.4260 51 A 4.5901 7.8927 119.4097 51.8035 20.5018 176.2463 52 G 4.0110 7.4725 104.9474 44.2236 0.0000 176.7938 53 V 3.7768 8.2760 125.5464 63.0416 31.9317 175.0442 54 K 4.1811 8.9138 129.2217 58.4990 33.4956 175.9884 55 E 4.6572 7.5447 120.2525 54.6312 33.1333 173.6359 56 Y 4.6074 9.0627 125.2567 57.6925 39.7895 174.5313 57 Q 5.0341 9.4608 122.2793 54.1361 32.8357 174.4255 58 V 4.6829 9.0391 124.6309 61.0182 34.3486 174.4745 59 V 4.5431 8.6759 129.7977 62.0761 32.4978 174.7571 60 L 5.3417 9.2272 128.1595 54.0857 44.3876 175.0516 61 E 4.9534 9.1320 120.7381 55.2003 31.5982 175.0591 62 V 4.5110 8.8197 125.0656 61.0005 33.9870 174.3611 63 G 3.2817 8.0476 115.6635 43.9839 0.0000 172.2722 64 F 5.6726 8.4780 118.0409 54.8965 41.9825 173.5908 65 R 4.1021 8.8202 121.5616 56.1818 30.5699 175.9592 66 L 4.3674 8.3106 127.3482 54.3082 42.1779 177.2148 67 E 4.2051 8.8201 123.1691 55.8568 30.3218 176.4544 68 E 4.0540 8.4910 120.4283 57.7302 30.3059 177.4916 69 T 3.8067 8.5425 118.1031 64.2609 68.7650 172.0593 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 3.92 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 0.00 0.00 0.00 3 K 8.40 3.59 0.00 1.78 1.35 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.43 7.81 4 V 8.66 4.50 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 0.95 0.00 0.00 5 Y 8.73 5.06 0.00 3.02 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 6 K 8.25 4.54 0.00 1.51 0.74 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.26 7.81 7 K 8.50 4.96 0.00 1.63 1.63 0.00 2.01 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.10 1.42 7.81 8 V 8.69 4.51 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 0.92 0.00 0.00 1.03 0.00 0.00 9 E 8.73 4.92 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 2.22 2.33 0.00 10 L 9.02 4.89 0.00 1.54 1.48 0.87 0.43 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 11 V 8.30 4.74 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.67 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 0.00 0.00 0.00 13 T 8.00 5.78 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 1.22 0.00 0.00 14 S 8.25 4.66 0.00 3.89 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 8.97 4.46 0.00 2.03 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 2.48 2.30 0.00 16 E 8.54 4.15 0.00 1.96 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 2.34 2.27 0.00 17 G 7.17 3.34 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 0.00 18 L 7.36 3.79 0.00 1.56 1.65 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.14 3.89 0.00 1.99 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 2.39 2.45 0.00 20 A 7.91 3.93 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 21 A 7.74 3.88 1.42 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 0.00 0.00 22 I 7.72 3.50 1.87 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 1.43 0.86 0.34 0.00 0.00 23 Q 8.23 3.92 0.00 2.14 2.10 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 2.43 2.47 0.00 24 A 7.90 3.92 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 7.72 3.87 1.32 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 26 L 7.85 3.83 0.00 1.59 1.63 0.54 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.05 3.97 1.32 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 28 R 7.88 3.93 0.00 1.91 2.03 0.00 3.13 0.00 0.00 3.14 7.56 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 8.18 3.89 1.28 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 30 R 7.80 3.80 0.00 1.94 2.11 0.00 3.25 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 31 K 7.76 4.16 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.61 7.81 32 T 7.69 4.50 4.18 0.00 0.00 0.00 0.00 0.00 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 7.72 4.51 0.00 1.42 0.94 0.43 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.78 4.56 0.00 1.66 1.54 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 1.42 1.52 0.00 35 H 8.61 4.20 0.00 3.54 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 8.21 4.43 0.00 1.67 1.68 0.86 0.93 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 37 D 9.29 5.21 0.00 3.03 3.06 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 0.00 38 W 7.90 5.55 0.00 3.27 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 5.35 0.00 3.01 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 40 E 9.35 4.76 0.00 1.96 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 2.49 0.00 41 V 8.62 4.33 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 9.68 4.55 0.00 1.77 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.57 7.81 43 E 7.97 4.85 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 2.36 0.00 44 I 8.40 5.06 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 1.33 0.66 1.00 0.00 0.00 45 A 8.99 4.65 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 8.02 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 7.74 4.75 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 1.18 0.00 0.00 48 I 8.22 4.77 1.84 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 0.63 0.93 0.00 0.00 49 G 8.87 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 0.00 0.00 0.00 0.00 50 E 8.94 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 7.89 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 7.47 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 0.00 0.00 0.00 53 V 8.28 3.78 1.86 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 -0.20 0.00 0.00 0.65 0.00 0.00 54 K 8.91 4.18 0.00 1.82 1.69 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 55 E 7.54 4.66 0.00 1.89 1.66 0.00 0.00 0.00 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 2.27 0.00 56 Y 9.06 4.61 0.00 3.05 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 57 Q 9.46 5.03 0.00 2.04 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 2.27 0.00 58 V 9.04 4.68 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 0.97 0.00 0.00 59 V 8.68 4.54 2.11 0.00 0.00 0.00 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 0.95 0.00 0.00 60 L 9.23 5.34 0.00 1.97 1.77 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.13 4.95 0.00 1.93 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 2.29 2.28 0.00 62 V 8.82 4.51 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 0.93 0.00 0.00 0.89 0.00 0.00 63 G 8.05 3.28 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 64 F 8.48 5.67 0.00 3.36 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 65 R 8.82 4.10 0.00 1.99 1.95 0.00 3.07 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.00 66 L 8.31 4.37 0.00 1.57 1.55 0.85 1.24 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 67 E 8.82 4.21 0.00 2.00 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 2.39 2.45 0.00 68 E 8.49 4.05 0.00 1.95 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 2.29 2.26 0.00 69 T 8.54 3.81 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