NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4343 8.3049 120.3486 54.9721 34.6178 175.4603 2 K 4.3228 7.6665 118.9604 55.5443 34.2480 175.3054 3 S 4.5558 7.8386 113.7819 58.7326 62.3100 174.0137 4 T 4.0821 7.7035 112.1204 64.1667 69.7010 176.5894 5 G 3.9649 6.9352 108.4403 44.5409 0.0000 171.4145 6 I 4.0829 7.8620 135.0000 60.3400 40.1875 173.3680 7 V 4.3995 7.2928 117.6545 61.2062 33.5385 172.3487 8 R 4.6994 8.1538 119.7557 54.4602 34.0975 174.9853 9 K 4.2116 8.3997 120.0736 56.6752 33.5395 177.1395 10 V 4.0364 8.0653 115.4105 60.4099 32.7904 176.0020 11 D 4.5563 9.0391 123.7673 54.2442 41.1927 177.7539 12 E 4.0478 8.7053 121.2920 58.9125 29.5752 177.8855 13 L 4.3012 7.9100 117.0411 54.2210 42.3067 176.0197 14 G 3.7038 8.3688 106.2587 46.4849 0.0000 174.6832 15 R 4.5657 7.4658 116.1589 54.0944 34.0782 175.2619 16 V 4.3610 8.3403 122.2835 61.7114 32.7851 175.3107 17 V 4.5508 7.9673 118.7202 59.3401 34.7457 175.3581 18 I 4.0515 8.1576 123.7148 59.8271 38.1169 174.8840 19 P 4.2271 0.0000 0.0000 63.5318 32.1967 176.8918 20 I 3.6514 8.4759 122.9245 64.8969 37.0505 178.1899 21 E 4.0783 8.2600 118.5168 59.3644 29.1479 179.2449 22 L 3.9783 7.6752 119.7469 58.3409 42.1952 178.9309 23 R 3.9568 7.7142 117.2410 59.2377 30.1002 178.1281 24 R 4.0459 8.4315 118.1907 58.6500 30.0843 177.7468 25 T 4.5979 7.4344 114.3888 63.6692 69.5864 174.7712 26 L 4.5571 8.0962 121.9009 52.9257 43.9967 177.6909 27 G 3.9320 8.4557 118.7762 44.7230 0.0000 172.5904 28 I 4.0730 7.4430 108.1636 60.6160 38.5337 176.1470 29 A 4.4264 7.5120 123.5803 50.7658 20.6137 176.1772 30 E 4.3930 8.7784 122.2576 56.3531 30.5517 176.6580 31 K 4.5851 8.4309 118.7161 55.4336 34.8489 174.7143 32 D 4.5568 8.3332 131.9974 54.2441 42.9514 175.6684 33 A 4.9144 7.6406 118.3287 50.4736 22.3452 174.4697 34 L 4.9088 8.3680 117.9846 53.5134 46.4634 175.1612 35 E 4.3977 9.2315 121.6564 55.5085 31.1037 175.5057 36 I 4.3842 8.2577 126.0351 60.5859 38.3178 175.3364 37 Y 4.3065 9.1527 127.3149 56.3052 38.9142 175.2487 38 V 4.0353 8.2995 124.9761 62.2775 30.9069 174.7697 39 D 4.4934 9.1721 129.1521 52.8096 39.0827 173.9051 40 D 4.6888 7.6911 120.7057 53.0785 41.3074 173.2300 41 E 4.6643 8.1085 118.8150 55.2628 31.7902 176.0668 42 K 4.4951 8.1642 119.9709 55.1562 34.6203 175.2640 43 I 4.6430 8.1643 123.2747 60.0911 37.7381 174.7031 44 I 4.1897 8.7460 129.4860 60.3640 38.4291 175.0439 45 L 5.1992 8.5894 127.5890 53.2324 43.1364 175.9259 46 K 4.6269 9.0022 125.2507 53.8389 35.6311 175.1281 47 K 4.2722 8.5635 121.4576 56.3820 32.5477 176.8762 48 Y 4.3996 7.8004 120.8395 57.4624 38.4341 175.6427 49 K 4.7541 8.5299 120.1933 53.7303 35.6868 173.8017 50 P 4.1053 0.0000 0.0000 62.8585 32.0575 175.9880 51 N 4.0472 7.9215 118.7091 53.4844 37.4938 174.8429 52 M 4.3083 7.7392 114.9158 55.2078 32.6004 176.5518 53 T 4.2063 8.4978 113.9225 63.5214 70.0093 174.1518 54 C 4.6629 7.3851 118.5564 57.7751 34.5667 173.2406 55 Q 4.1713 8.5144 121.0549 56.2664 28.3317 176.3654 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 M 8.30 4.43 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 7.67 4.32 0.00 1.86 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.52 7.81 3 S 7.84 4.56 0.00 4.06 3.83 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 4 T 7.70 4.08 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 5 G 6.94 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 4.08 1.87 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 1.47 0.62 0.91 0.00 0.00 7 V 7.29 4.40 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 0.70 0.00 0.00 0.93 0.00 0.00 8 R 8.15 4.70 0.00 1.77 1.81 0.00 3.28 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 9 K 8.40 4.21 0.00 1.84 1.81 0.00 1.46 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.52 7.81 10 V 8.07 4.04 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 0.73 0.00 0.00 0.93 0.00 0.00 11 D 9.04 4.56 0.00 2.74 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 12 E 8.71 4.05 0.00 1.95 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 2.32 2.28 0.00 13 L 7.91 4.30 0.00 1.63 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.37 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.57 0.00 1.99 1.78 0.00 3.12 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 16 V 8.34 4.36 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 0.90 0.00 0.00 0.94 0.00 0.00 17 V 7.97 4.55 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 0.86 0.00 0.00 0.94 0.00 0.00 18 I 8.16 4.05 1.88 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 1.49 0.76 0.92 0.00 0.00 19 P 0.00 4.23 0.00 2.29 2.29 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 20 I 8.48 3.65 1.87 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 1.64 0.50 0.91 0.00 0.00 21 E 8.26 4.08 0.00 2.05 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 2.41 2.44 0.00 22 L 7.68 3.98 0.00 1.88 1.85 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.71 3.96 0.00 1.89 1.95 0.00 3.49 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 24 R 8.43 4.05 0.00 1.90 1.97 0.00 3.30 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 25 T 7.43 4.60 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 26 L 8.10 4.56 0.00 1.52 1.57 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.46 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 28 I 7.44 4.07 1.87 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 1.53 0.67 0.91 0.00 0.00 29 A 7.51 4.43 1.24 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 0.00 0.00 0.00 30 E 8.78 4.39 0.00 2.21 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 0.00 2.40 2.32 0.00 31 K 8.43 4.59 0.00 1.81 1.77 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.41 7.81 32 D 8.33 4.56 0.00 2.52 2.45 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 33 A 7.64 4.91 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 34 L 8.37 4.91 0.00 1.55 1.68 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.23 4.40 0.00 2.14 1.82 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 2.23 2.44 0.00 36 I 8.26 4.38 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.92 0.00 0.00 37 Y 9.15 4.31 0.00 3.04 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 38 V 8.30 4.04 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 0.74 0.00 0.00 0.93 0.00 0.00 39 D 9.17 4.49 0.00 2.75 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 40 D 7.69 4.69 0.00 2.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.66 0.00 2.05 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 2.16 2.31 0.00 42 K 8.16 4.50 0.00 1.95 1.94 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.38 7.81 43 I 8.16 4.64 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.95 0.00 0.00 44 I 8.75 4.19 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.70 0.82 0.00 0.00 45 L 8.59 5.20 0.00 1.56 1.66 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.00 4.63 0.00 1.87 1.91 0.00 1.38 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.30 7.81 47 K 8.56 4.27 0.00 1.49 1.24 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.59 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.29 1.35 7.81 48 Y 7.80 4.40 0.00 2.96 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 49 K 8.53 4.75 0.00 1.74 1.72 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.50 7.81 50 P 0.00 4.11 0.00 2.19 2.11 0.00 3.95 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 51 N 7.92 4.05 0.00 2.76 2.81 0.00 0.00 6.93 7.61 0.00 0.00 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 M 7.74 4.31 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 53 T 8.50 4.21 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 1.20 0.00 0.00 54 C 7.39 4.66 0.00 2.90 2.78 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 0.00 0.00 0.00 0.00 55 Q 8.51 4.17 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00