NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.7338 8.3649 120.5382 54.1353 41.8327 177.3051 4 R 3.8914 9.1017 121.3298 55.6316 31.4770 171.1413 5 V 3.6226 7.5625 122.2870 61.1260 33.5873 175.3749 6 K 4.1662 7.8269 123.4138 56.6207 33.2490 176.7241 7 R 4.4957 8.0492 116.5304 53.7894 31.9477 173.7341 8 P 4.5225 0.0000 0.0000 62.1649 32.4534 175.5732 9 M 4.1878 8.2456 117.2930 55.7201 32.4876 176.5037 10 N 4.6416 8.4752 118.9489 52.2867 41.0312 176.4239 11 A 3.4618 8.4946 125.7207 55.0341 18.3332 179.9374 12 F 4.2000 7.8741 118.6719 61.6123 39.7199 177.5727 13 I 3.4890 7.8051 118.6693 63.7089 36.5602 178.2444 14 V 3.2417 7.5702 119.9056 65.7423 31.1359 177.7121 15 W 4.2654 7.0141 118.3631 60.0693 29.0511 178.0371 16 S 4.0121 8.0229 112.1056 62.6064 61.5281 175.7332 17 R 3.6150 8.0561 116.6880 61.0259 30.0053 178.2995 18 D 4.4583 8.0235 116.7010 57.6043 41.5793 178.4428 19 Q 4.0202 8.5198 120.4728 59.5739 28.9351 178.6911 20 R 3.8841 7.8584 118.8557 59.4915 29.8430 178.1183 21 R 3.8503 7.5388 117.1630 59.4020 30.1699 178.0883 22 K 4.0788 8.0396 119.2984 59.7918 32.2872 178.5768 23 M 4.0512 7.9857 117.6470 58.4694 31.9222 177.8037 24 A 4.0876 8.0603 120.6779 54.8846 18.5535 179.1693 25 L 4.0387 7.4590 116.9392 58.0568 41.8605 179.1055 26 E 4.2471 7.9642 117.8199 57.8041 30.9559 176.6984 27 N 5.0679 8.1313 116.2212 51.4744 39.1752 173.5756 28 P 4.4904 0.0000 0.0000 64.2956 32.5091 177.4498 29 R 4.6107 7.2806 117.3170 54.9601 29.9867 174.5674 30 M 4.2563 7.7419 117.6940 54.5139 32.5345 176.6325 31 R 3.9186 7.9582 124.9660 58.4837 30.9884 179.6237 32 N 4.7355 7.5502 119.6527 52.9123 42.0491 175.3801 33 S 4.5926 8.2150 113.0380 58.5495 62.0209 175.1042 34 E 4.0790 7.8576 123.8186 59.2665 29.6148 178.6175 35 I 3.6439 7.8675 117.8710 63.8698 37.2506 177.5136 36 S 4.2785 7.6521 114.6863 61.8018 62.7380 176.5990 37 K 4.0825 7.8862 119.8849 59.1960 32.1332 179.2401 38 Q 4.0458 8.3584 119.1889 58.9578 28.6823 178.5387 39 L 3.3351 7.4249 119.1676 57.3208 41.3433 179.6468 40 G 3.5208 7.2938 104.7627 48.0185 0.0000 174.9815 41 Y 3.9653 7.4817 120.7061 60.5520 39.0582 177.9037 42 Q 3.9070 7.4759 118.4284 58.5016 28.4970 178.6169 43 W 4.5920 7.3744 119.3441 59.8574 29.2491 178.3300 44 K 4.3008 7.6379 116.1609 57.9008 32.8120 177.6873 45 M 4.7668 7.5379 118.2728 53.4133 33.2502 174.2235 46 L 4.1965 7.8120 119.8284 54.8362 43.0220 177.3517 47 T 4.2895 8.5489 113.9092 60.8791 69.2097 175.4442 48 E 3.9799 8.9897 126.6918 59.1450 29.2345 178.9929 49 A 4.1531 8.1935 119.6100 54.5549 17.7349 178.3056 50 E 4.7160 8.4448 116.1954 58.3567 30.6531 177.2744 51 K 4.0045 8.1914 119.6526 56.6825 31.9067 178.7973 52 W 4.4614 8.0173 128.7497 61.4341 31.0368 175.7375 53 P 3.4238 0.0000 0.0000 66.8930 31.0122 177.3808 54 F 4.4150 7.8475 111.9690 59.0934 38.7265 178.0065 55 F 3.7338 7.5471 119.2900 60.4138 37.0621 177.1272 56 Q 4.0295 7.5755 116.5000 59.0412 28.4906 178.8995 57 E 3.7815 8.0427 119.1567 59.3885 29.4166 178.3446 58 A 3.9753 7.9967 120.6395 55.1742 18.1858 179.6343 59 Q 3.9454 7.9033 116.5528 59.0834 28.7964 178.9566 60 K 3.9746 7.5544 118.1629 59.7524 32.4740 178.7029 61 L 3.8309 7.6272 119.9499 57.9407 41.5458 179.6118 62 Q 4.0286 7.6970 115.9388 58.9601 28.7218 178.5149 63 A 4.0026 7.8150 121.6644 56.2020 18.1195 179.1198 64 M 3.9981 8.0219 115.9307 58.6742 32.3089 178.1598 65 H 4.4558 7.8717 114.7333 59.2132 29.0560 178.2310 66 R 4.0280 8.4370 120.1737 59.4268 29.7986 178.8056 67 E 4.1493 8.0070 116.0534 58.3370 29.4777 178.6916 68 K 4.0121 7.6889 117.6665 57.2566 33.0929 176.2812 69 Y 4.7894 7.6761 116.4410 55.8531 37.9489 174.0029 70 P 4.1871 0.0000 0.0000 66.3315 32.2889 177.8446 71 N 4.5684 7.8927 116.6353 54.4387 39.3584 175.0656 72 Y 3.9456 7.5612 120.5801 57.2714 39.0188 174.7446 73 K 4.6504 7.6471 125.2998 54.0402 35.7994 175.0319 74 Y 4.1015 8.3472 117.7227 58.4866 38.3989 176.8807 75 R 4.1665 8.2988 119.9980 56.7998 30.4760 174.5643 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 3 D 8.36 4.73 0.00 2.69 2.49 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 4 R 9.10 3.89 0.00 1.85 1.84 0.00 3.21 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 5 V 7.56 3.62 1.53 0.00 0.00 0.00 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 0.07 0.00 0.00 6 K 7.83 4.17 0.00 1.79 1.71 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.27 1.25 7.81 7 R 8.05 4.50 0.00 1.91 1.93 0.00 3.26 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 8 P 0.00 4.52 0.00 2.19 2.17 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 9 M 8.25 4.19 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 10 N 8.48 4.64 0.00 2.88 2.73 0.00 0.00 6.86 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 11 A 8.49 3.46 0.84 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 0.00 0.00 12 F 7.87 4.20 0.00 3.17 3.11 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 13 I 7.81 3.49 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 0.86 0.00 0.00 14 V 7.57 3.24 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.62 0.00 0.00 15 W 7.01 4.27 0.00 3.59 3.21 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 16 S 8.02 4.01 0.00 3.71 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 17 R 8.06 3.62 0.00 1.83 1.81 0.00 3.32 0.00 0.00 3.16 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 18 D 8.02 4.46 0.00 2.75 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 19 Q 8.52 4.02 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 20 R 7.86 3.88 0.00 1.92 2.11 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 21 R 7.54 3.85 0.00 1.81 2.19 0.00 3.37 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 22 K 8.04 4.08 0.00 1.91 1.99 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 23 M 7.99 4.05 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 24 A 8.06 4.09 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 25 L 7.46 4.04 0.00 1.77 1.71 0.93 1.25 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 26 E 7.96 4.25 0.00 1.93 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 2.30 2.39 0.00 27 N 8.13 5.07 0.00 2.93 2.68 0.00 0.00 6.56 7.99 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 28 P 0.00 4.49 0.00 2.17 2.24 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 29 R 7.28 4.61 0.00 1.76 1.87 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 30 M 7.74 4.26 0.00 2.00 2.00 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 2.58 2.64 0.00 31 R 7.96 3.92 0.00 1.77 1.86 0.00 3.24 0.00 0.00 3.22 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 32 N 7.55 4.74 0.00 2.68 2.79 0.00 0.00 6.85 7.56 0.00 0.00 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 S 8.22 4.59 0.00 3.89 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 34 E 7.86 4.08 0.00 1.99 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 2.34 0.00 35 I 7.87 3.64 1.85 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 1.61 1.61 0.91 0.00 0.00 36 S 7.65 4.28 0.00 4.19 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 37 K 7.89 4.08 0.00 1.68 1.86 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.60 7.81 38 Q 8.36 4.05 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 39 L 7.42 3.34 0.00 1.65 0.82 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.29 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.48 3.97 0.00 2.93 3.09 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 0.00 0.00 0.00 0.00 42 Q 7.48 3.91 0.00 1.18 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.09 0.00 43 W 7.37 4.59 0.00 3.39 3.09 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 0.00 0.00 0.00 0.00 44 K 7.64 4.30 0.00 1.58 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 45 M 7.54 4.77 0.00 1.80 1.56 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 46 L 7.81 4.20 0.00 1.69 1.73 1.02 1.00 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 47 T 8.55 4.29 4.35 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 1.29 0.00 0.00 48 E 8.99 3.98 0.00 2.06 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 0.00 2.39 2.40 0.00 49 A 8.19 4.15 1.40 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 0.00 0.00 50 E 8.44 4.72 0.00 2.56 2.72 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 0.00 2.52 2.67 0.00 51 K 8.19 4.00 0.00 1.70 1.12 0.00 1.72 0.00 0.00 1.50 0.00 0.00 2.47 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.79 7.81 52 W 8.02 4.46 0.00 3.29 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 53 P 0.00 3.42 0.00 2.11 1.90 0.00 4.03 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 54 F 7.85 4.42 0.00 3.17 3.29 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 55 F 7.55 3.73 0.00 2.99 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 56 Q 7.58 4.03 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 5.11 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 57 E 8.04 3.78 0.00 1.99 2.05 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 2.34 2.34 0.00 58 A 8.00 3.98 1.20 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 59 Q 7.90 3.95 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 60 K 7.55 3.97 0.00 1.93 2.05 0.00 1.32 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 61 L 7.63 3.83 0.00 1.75 1.75 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.70 4.03 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 63 A 7.81 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.02 4.00 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 65 H 7.87 4.46 0.00 3.30 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.44 4.03 0.00 2.10 2.02 0.00 3.34 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 67 E 8.01 4.15 0.00 2.07 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 2.43 2.51 0.00 68 K 7.69 4.01 0.00 1.72 1.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.52 7.81 69 Y 7.68 4.79 0.00 3.03 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.19 0.00 2.08 2.07 0.00 3.97 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 71 N 7.89 4.57 0.00 2.73 2.88 0.00 0.00 6.85 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.56 3.95 0.00 3.00 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 73 K 7.65 4.65 0.00 1.66 1.70 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.53 7.81 74 Y 8.35 4.10 0.00 3.03 2.97 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 75 R 8.30 4.17 0.00 1.64 1.72 0.00 3.12 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00