NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4723 8.1633 118.3260 55.2719 33.4040 173.8028 2 Q 4.7608 8.2711 118.8464 53.0016 30.9824 173.2191 3 I 4.7779 9.0192 116.6256 59.0712 42.3161 173.5504 4 F 5.3789 9.0876 120.6972 55.6582 42.7390 174.5228 5 V 4.8996 9.1871 122.5669 61.1697 34.2187 174.2907 6 K 5.1284 8.9828 127.7567 55.2866 34.4865 176.1030 7 T 4.8467 8.7213 114.4393 59.8860 71.1783 175.7715 8 L 4.0850 8.6387 121.7078 57.4066 41.7112 178.3294 9 T 4.2080 7.9039 106.6958 61.5395 69.2748 175.3452 10 G 3.9081 8.2432 110.7708 45.2366 0.0000 173.1968 11 K 4.4467 8.0734 121.0786 55.5640 33.9482 175.5159 12 T 5.1253 8.4511 122.1600 61.8766 71.1626 173.3318 13 I 4.6125 9.1031 127.1841 59.8514 40.1678 174.5678 14 T 4.9150 8.5338 122.3874 61.9429 70.3184 173.9372 15 L 4.8017 8.5016 125.1319 52.8081 46.1135 174.9102 16 E 4.8455 8.6275 122.5882 54.9952 30.7034 175.2868 17 V 4.7531 8.9960 119.4558 59.9938 36.4588 174.2402 18 E 4.7709 9.6274 120.7068 53.9231 32.4769 176.1713 19 P 4.1832 0.0000 0.0000 65.3780 31.5745 178.1383 20 S 4.4780 7.8683 110.2072 58.5854 63.8811 174.1182 21 D 4.4934 8.1804 123.4145 54.5356 41.3813 175.9863 22 T 4.6973 8.1428 113.1767 61.0277 71.5321 176.0873 23 I 3.6885 8.3176 123.4645 64.5760 37.1449 178.4401 24 E 3.9448 8.1757 119.6837 59.3953 29.4590 178.5299 25 N 4.3558 8.1205 116.6050 56.1703 38.5821 177.5681 26 V 3.5653 7.8663 119.7154 65.9533 31.5521 178.1964 27 K 3.9450 8.4554 118.4140 59.4579 31.8774 179.1406 28 A 3.9809 8.0449 120.9908 55.0955 18.3790 179.8729 29 K 3.9601 8.0240 117.0747 59.6172 32.0586 179.6868 30 I 3.7307 7.7503 120.2175 64.2467 36.9033 178.1859 31 Q 4.0277 8.3363 120.7027 59.2898 28.6660 177.8638 32 D 4.3050 7.8947 117.8179 57.2966 41.3038 178.0423 33 K 4.1777 7.7530 117.5620 58.5116 32.3967 178.2266 34 E 4.6017 8.8748 116.2548 55.2580 30.9567 177.2650 35 G 3.8538 8.1974 106.8778 45.4558 0.0000 173.2258 36 I 4.0954 7.4402 120.5225 59.1961 37.6240 174.1254 37 P 4.3442 0.0000 0.0000 61.9615 32.0145 175.6516 38 P 4.2363 0.0000 0.0000 65.9374 31.3931 178.1238 39 D 4.4858 8.0662 115.9935 56.3678 41.1279 176.7315 40 Q 4.4546 8.3766 117.6415 55.6770 29.3241 174.5271 41 Q 5.1224 7.5692 117.1971 54.1404 31.1963 175.3283 42 R 4.6325 8.9437 121.7521 54.4079 33.7529 174.2454 43 L 5.1716 8.5339 123.6519 53.0994 44.2486 175.4220 44 I 5.0917 8.8354 124.2649 59.4778 40.9512 174.4164 45 F 4.9577 8.9764 127.6552 56.9685 42.8133 174.3852 46 A 3.4816 8.9922 128.8408 53.0762 15.9198 177.7205 47 G 3.9215 8.3529 106.3820 46.5958 0.0000 174.1666 48 K 4.5852 7.9322 119.8963 54.2131 34.4123 174.9971 49 Q 4.5512 8.5066 124.4988 55.8754 29.7165 175.0531 50 L 4.1459 8.6575 127.4051 54.1152 42.7159 176.3844 51 E 4.5623 8.5813 121.9572 55.3839 30.9214 177.5543 52 D 4.3701 8.9526 122.0839 56.7585 41.1459 177.5564 53 G 3.9334 8.0537 105.9053 45.3709 0.0000 173.2436 54 R 4.6177 7.7249 119.6759 54.4979 32.8130 175.0678 55 T 4.9839 8.1950 109.2932 59.7587 71.4082 175.7652 56 L 4.0467 8.4274 122.1097 58.0714 41.4852 180.1570 57 S 4.1636 8.1378 114.0824 61.5233 62.5728 176.2744 58 D 4.2804 7.7296 121.8570 56.5772 40.4487 177.2215 59 Y 4.5194 7.5201 114.9023 56.4152 38.4757 175.0645 60 N 4.1661 8.0483 115.8953 54.1389 36.9545 174.6671 61 I 3.6826 7.7096 117.9030 60.8946 38.0583 176.0566 62 Q 4.6174 8.2396 124.0609 53.0713 31.1927 175.0567 63 K 3.9406 8.3816 117.9910 58.9419 32.5160 176.3584 64 E 4.0625 8.9597 119.6640 57.5889 27.6107 174.8414 65 S 4.6512 7.8482 114.5233 58.8711 64.3666 173.2834 66 T 5.1838 8.7488 119.2329 62.0741 70.3456 173.8208 67 L 4.9888 9.4971 127.1533 53.5406 45.0223 174.9551 68 H 5.1250 9.1440 118.2824 54.0289 31.4670 173.0635 69 L 5.0677 8.6606 125.2045 53.3782 43.6955 175.6139 70 V 4.5616 8.9619 125.7820 61.0713 34.8092 173.8937 71 L 5.1491 8.5094 125.6897 52.9347 44.1017 176.3862 72 R 4.2510 8.3678 122.2828 56.4738 29.8417 175.1945 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 8.16 4.47 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 2 Q 8.27 4.76 0.00 1.91 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 3 I 9.02 4.78 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.80 0.00 0.00 4 F 9.09 5.38 0.00 2.99 2.93 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 5 V 9.19 4.90 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 1.09 0.00 0.00 0.93 0.00 0.00 6 K 8.98 5.13 0.00 1.69 1.71 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.72 4.85 4.25 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 1.27 0.00 0.00 8 L 8.64 4.08 0.00 1.66 1.79 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.90 4.21 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 1.22 0.00 0.00 10 G 8.24 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 0.00 0.00 0.00 11 K 8.07 4.45 0.00 1.88 1.68 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 T 8.45 5.13 4.25 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 1.27 0.00 0.00 13 I 9.10 4.61 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 1.25 0.83 0.92 0.00 0.00 14 T 8.53 4.91 4.26 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 1.03 0.00 0.00 15 L 8.50 4.80 0.00 1.45 1.44 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.85 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 17 V 9.00 4.75 2.10 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 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.63 4.77 0.00 1.78 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 0.00 2.18 2.37 0.00 19 P 0.00 4.18 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.87 4.48 0.00 3.96 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 21 D 8.18 4.49 0.00 2.83 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 22 T 8.14 4.70 4.25 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 1.21 0.00 0.00 23 I 8.32 3.69 2.04 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 1.72 1.07 0.90 0.00 0.00 24 E 8.18 3.94 0.00 2.15 1.95 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 2.38 2.41 0.00 25 N 8.12 4.36 0.00 3.06 2.84 0.00 0.00 6.63 7.84 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 26 V 7.87 3.57 2.22 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 1.00 0.00 0.00 0.96 0.00 0.00 27 K 8.46 3.95 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 28 A 8.04 3.98 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 29 K 8.02 3.96 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.75 3.73 2.04 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 1.40 0.94 0.94 0.00 0.00 31 Q 8.34 4.03 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 32 D 7.89 4.30 0.00 2.72 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.75 4.18 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 34 E 8.87 4.60 0.00 1.97 1.97 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 2.25 2.43 0.00 35 G 8.20 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.44 4.10 1.87 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 1.42 0.76 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.24 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.87 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 39 D 8.07 4.49 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 4.45 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 41 Q 7.57 5.12 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 42 R 8.94 4.63 0.00 1.71 1.79 0.00 3.09 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.53 5.17 0.00 1.55 1.54 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.84 5.09 1.90 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 1.10 0.74 0.89 0.00 0.00 45 F 8.98 4.96 0.00 3.01 2.77 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 0.00 0.00 0.00 46 A 8.99 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 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 48 K 7.93 4.59 0.00 1.85 1.78 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.54 7.81 49 Q 8.51 4.55 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.66 4.15 0.00 1.38 1.25 0.73 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.58 4.56 0.00 2.07 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 2.34 2.38 0.00 52 D 8.95 4.37 0.00 2.66 2.74 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 0.00 0.00 0.00 0.00 53 G 8.05 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 54 R 7.72 4.62 0.00 2.02 1.87 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 55 T 8.20 4.98 4.48 0.00 0.00 0.00 0.00 0.00 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 56 L 8.43 4.05 0.00 1.86 1.70 0.95 0.89 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 57 S 8.14 4.16 0.00 4.04 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 58 D 7.73 4.28 0.00 2.57 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.52 4.52 0.00 3.04 2.96 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 60 N 8.05 4.17 0.00 2.92 2.92 0.00 0.00 6.98 7.06 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 61 I 7.71 3.68 1.66 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.25 0.59 0.00 0.00 62 Q 8.24 4.62 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 63 K 8.38 3.94 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.52 7.81 64 E 8.96 4.06 0.00 2.25 2.33 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 2.47 2.36 0.00 65 S 7.85 4.65 0.00 3.80 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 66 T 8.75 5.18 4.32 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 1.23 0.00 0.00 67 L 9.50 4.99 0.00 1.61 1.61 0.95 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.14 5.12 0.00 3.22 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.66 5.07 0.00 1.63 1.67 1.04 0.76 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 70 V 8.96 4.56 2.21 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.51 5.15 0.00 1.55 1.54 0.93 0.83 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 72 R 8.37 4.25 0.00 1.80 1.75 0.00 3.29 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00