NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5550 8.1627 118.3323 55.5335 33.1940 173.3113 2 Q 4.9884 8.2469 118.7743 53.3025 33.3104 171.4174 3 I 4.9372 9.0585 116.5048 59.8163 42.6901 172.7579 4 L 5.0439 9.6973 124.4804 53.4791 44.5320 175.1572 5 F 4.6374 10.0404 132.0337 56.2465 40.2461 175.0063 6 N 3.7742 8.3733 127.8191 55.1740 37.0250 173.5754 7 D 4.3706 7.8478 111.4599 55.1778 39.2451 173.6718 8 Q 4.7038 7.6882 118.6240 53.8804 30.7460 175.3678 9 A 4.4219 8.6390 126.2211 52.5465 19.6751 175.5361 10 M 4.7760 9.2865 119.1238 54.6641 36.9356 173.4591 11 Q 5.5343 8.7238 118.8739 53.6076 31.8827 174.2842 12 C 4.7438 8.3719 120.7593 57.1370 33.1512 173.7840 13 A 4.2313 9.2731 123.6535 51.0133 17.4928 176.9773 14 A 4.1989 8.2701 124.6809 54.8339 18.8610 177.9285 15 G 3.9789 9.5283 112.2201 45.0182 0.0000 173.6900 16 Q 4.1687 8.0439 119.6024 55.2746 29.3807 176.7349 17 T 5.1291 8.3396 112.5259 61.2326 68.9281 174.1355 18 V 3.6965 8.4786 118.8998 66.9306 31.5084 177.9082 19 H 3.7543 8.9467 118.3443 59.4875 29.4062 176.7208 20 E 4.0440 8.6384 120.6064 58.7227 29.4758 178.5173 21 L 3.8424 8.7012 121.5685 57.9778 41.7545 178.6168 22 L 3.7189 8.5793 119.9402 58.0207 41.7076 179.2648 23 E 4.2203 7.9352 118.8886 59.3323 29.2918 178.6693 24 Q 3.8939 7.9361 118.7050 59.2783 29.2902 178.1682 25 L 3.9316 8.0556 118.4961 56.0017 41.6059 177.0272 26 D 4.8499 8.1285 117.1172 54.6901 40.3614 174.0751 27 Q 4.8679 8.9176 114.9999 53.7342 33.3932 174.9713 28 R 4.5119 8.5893 117.6937 56.3303 29.7890 176.3359 29 Q 4.7306 8.6952 127.5223 54.1441 36.9800 174.4538 30 A 3.6862 9.0531 119.7938 53.4196 17.4150 177.9454 31 G 4.2901 7.5249 105.0912 47.3604 0.0000 173.8289 32 A 5.3930 7.5770 117.6036 50.1197 22.9830 176.6386 33 A 5.1961 9.0130 120.9114 50.4470 23.2407 174.8042 34 L 6.1690 9.0383 116.7838 54.0419 46.5266 174.3731 35 A 5.2702 9.0483 124.8280 50.4139 21.7597 174.9773 36 I 5.0557 8.3737 123.2169 60.0072 39.6478 176.1027 37 N 4.2419 9.8510 121.9210 54.1991 36.0884 175.1869 38 Q 3.8959 8.4777 113.9866 55.9507 27.4041 172.8751 39 Q 4.3389 8.3579 118.5405 54.6987 28.8397 174.9472 40 I 4.2605 8.3196 125.0505 61.2914 37.6930 175.7964 41 V 4.5303 8.4176 127.5701 60.3120 34.3575 173.0047 42 P 4.4988 0.0000 0.0000 63.9045 32.1195 178.0348 43 R 2.0000 7.7454 121.4743 57.3034 31.1180 177.5832 44 E 3.6829 8.0109 120.1527 58.8931 28.8389 179.0461 45 Q 4.0971 8.6614 117.9043 58.6445 28.6470 178.6816 46 W 5.0862 8.9363 120.3104 60.1957 28.8819 178.0641 47 A 4.3325 8.0679 118.6548 53.8523 17.9606 177.9618 48 Q 4.5716 9.2576 114.1968 55.9454 30.4409 176.1408 49 H 4.8028 7.7926 121.2283 54.1202 28.3506 173.0489 50 I 4.0369 7.8890 120.2685 61.8685 37.9245 176.0138 51 V 4.1539 8.6075 126.7758 62.2075 33.3098 174.6531 52 Q 5.0383 8.3766 124.0358 53.3726 32.7413 174.0085 53 D 4.4611 8.8057 121.5450 56.8979 39.4237 176.1263 54 G 4.0058 9.9173 113.1073 44.7320 0.0000 171.9890 55 D 4.3141 8.5065 120.7646 54.9023 42.0963 175.2477 56 Q 4.7132 8.2670 126.1488 55.2971 31.1092 174.4608 57 I 5.1024 9.1762 125.1059 59.6093 42.1389 173.7603 58 L 4.8478 8.9182 126.6872 53.0909 45.2662 174.6000 59 L 4.9484 8.0062 126.4877 53.2840 44.1728 175.1837 60 F 4.8554 9.9444 125.1470 55.7856 42.1600 174.3623 61 Q 4.7340 8.8400 121.8410 55.6224 29.6073 174.2084 62 V 3.2109 8.9602 122.8441 60.8426 31.7929 173.2068 63 I 4.1334 8.0922 122.3863 59.7941 36.1409 174.3919 64 A 4.7179 8.3674 127.1418 49.8837 21.2687 175.7429 65 G 4.0717 8.8116 111.3374 44.5756 0.0000 172.6105 66 G 4.0155 9.0689 111.1603 45.7628 0.0000 173.6008 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 4.56 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 2 Q 8.25 4.99 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 3 I 9.06 4.94 2.23 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.89 0.00 0.00 4 L 9.70 5.04 0.00 1.54 1.55 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 5 F 10.04 4.64 0.00 2.97 2.98 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 6 N 8.37 3.77 0.00 2.05 2.40 0.00 0.00 7.12 8.50 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 7 D 7.85 4.37 0.00 2.80 2.67 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 8 Q 7.69 4.70 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 9 A 8.64 4.42 1.23 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 0.00 0.00 0.00 10 M 9.29 4.78 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 11 Q 8.72 5.53 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 12 C 8.37 4.74 0.00 2.98 2.83 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 13 A 9.27 4.23 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 14 A 8.27 4.20 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.53 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 0.00 0.00 0.00 16 Q 8.04 4.17 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 17 T 8.34 5.13 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 1.31 0.00 0.00 18 V 8.48 3.70 2.23 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 0.15 0.00 0.00 0.79 0.00 0.00 19 H 8.95 3.75 0.00 3.42 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.64 4.04 0.00 2.09 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 2.30 2.47 0.00 21 L 8.70 3.84 0.00 1.66 1.57 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.58 3.72 0.00 1.76 1.91 0.43 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.94 4.22 0.00 2.08 2.00 0.00 0.00 0.00 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 2.32 0.00 24 Q 7.94 3.89 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 25 L 8.06 3.93 0.00 1.53 1.36 0.37 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.13 4.85 0.00 2.68 2.98 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 27 Q 8.92 4.87 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.62 6.55 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 28 R 8.59 4.51 0.00 1.81 1.28 0.00 3.29 0.00 0.00 3.26 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 29 Q 8.70 4.73 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.17 0.00 0.00 0.00 0.00 0.00 2.89 2.54 0.00 30 A 9.05 3.69 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 31 G 7.52 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 32 A 7.58 5.39 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.01 5.20 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 34 L 9.04 6.17 0.00 1.84 1.41 0.55 1.12 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 35 A 9.05 5.27 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.37 5.06 1.97 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.09 1.00 0.00 0.00 37 N 9.85 4.24 0.00 2.89 2.91 0.00 0.00 7.22 7.72 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 38 Q 8.48 3.90 0.00 2.34 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 39 Q 8.36 4.34 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 40 I 8.32 4.26 1.83 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.47 0.63 0.00 0.00 41 V 8.42 4.53 2.42 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 1.13 0.00 0.00 1.06 0.00 0.00 42 P 0.00 4.50 0.00 2.03 2.09 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 43 R 7.75 2.00 0.00 1.31 1.14 0.00 2.81 0.00 0.00 2.94 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.34 0.00 44 E 8.01 3.68 0.00 1.88 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 2.33 0.00 45 Q 8.66 4.10 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.40 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 46 W 8.94 5.09 0.00 3.45 3.40 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 47 A 8.07 4.33 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.26 4.57 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.23 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 49 H 7.79 4.80 0.00 3.38 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.89 4.04 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 1.27 0.94 0.94 0.00 0.00 51 V 8.61 4.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 52 Q 8.38 5.04 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 53 D 8.81 4.46 0.00 2.65 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 54 G 9.92 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 0.00 0.00 0.00 55 D 8.51 4.31 0.00 2.91 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 56 Q 8.27 4.71 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 57 I 9.18 5.10 2.16 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.56 0.90 0.00 0.00 58 L 8.92 4.85 0.00 1.98 1.63 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.01 4.95 0.00 1.10 1.33 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 60 F 9.94 4.86 0.00 3.23 3.01 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 61 Q 8.84 4.73 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.15 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 62 V 8.96 3.21 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 0.66 0.00 0.00 0.96 0.00 0.00 63 I 8.09 4.13 1.84 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 1.31 0.71 0.84 0.00 0.00 64 A 8.37 4.72 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.81 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 9.07 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