NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4012 8.3349 115.3156 57.5349 63.6121 172.7379 3 D 4.0009 8.3304 121.0111 52.1886 40.7094 176.0789 4 K 3.8861 9.0297 125.0269 55.5756 34.5102 174.9334 5 P 4.3795 0.0000 0.0000 62.1843 31.9829 176.7090 6 K 4.2494 8.3335 120.5833 56.0943 32.7133 177.4633 7 R 3.4387 8.2030 120.4859 55.1450 30.6110 175.2684 8 P 4.3513 0.0000 0.0000 62.3676 32.0054 176.3593 9 L 4.1442 8.1845 119.9491 54.7859 42.4820 177.3918 10 S 4.7250 8.2612 115.8801 56.9066 66.2350 175.1591 11 A 4.2538 8.4740 125.8395 55.7711 18.2016 179.4143 12 Y 2.3900 7.7780 116.9286 60.4047 38.8126 178.1360 13 A 3.4927 7.7234 121.4403 54.8449 18.4229 179.4230 14 L 3.7296 8.3468 117.7872 57.5704 41.5457 179.0399 15 W 2.0000 7.0456 127.0040 59.8494 30.5490 177.0978 16 L 2.5273 7.1719 119.7162 57.9452 41.0777 178.4690 17 N 3.9827 7.2291 114.8062 56.6362 38.6557 177.3414 18 S 4.2334 7.4565 112.9261 60.0882 63.1863 174.6505 19 A 4.3867 6.9479 124.0803 51.5087 19.2974 177.8411 20 R 3.6929 7.3463 118.3258 60.2358 30.2138 178.4751 21 E 3.9731 7.9380 117.8140 58.9198 29.3989 179.4611 22 S 4.0088 7.8385 113.1467 61.3812 62.5803 175.5849 23 I 3.6820 7.2657 122.4284 64.5739 36.8684 178.1476 24 K 3.8145 7.9799 118.9494 59.8709 31.7121 179.2808 25 R 4.0106 7.5000 116.8339 59.2132 30.1458 177.6912 26 E 4.2090 8.2728 117.4498 57.5928 31.3047 176.4748 27 N 5.0362 7.7908 115.3722 50.9599 39.6073 172.0673 28 P 4.4117 0.0000 0.0000 63.2665 32.5540 176.9137 29 G 3.9450 8.6331 109.0076 46.4444 0.0000 173.7774 30 I 3.8352 7.1769 118.2984 60.0370 39.0148 175.1471 31 K 4.2419 8.4985 126.7997 56.2541 33.5494 178.1135 32 V 3.7844 8.6418 117.3819 64.5337 31.1978 178.3536 33 T 3.8601 8.0083 109.1298 65.3805 68.2386 175.9946 34 E 4.0336 8.6160 122.1132 58.0948 29.4500 179.1365 35 V 3.5415 7.9138 117.9744 66.0061 31.4781 177.6778 36 A 4.0315 7.8280 119.7332 55.1905 18.2107 179.5657 37 K 3.9254 7.7814 116.9406 59.9935 32.2574 179.8730 38 R 4.1120 8.9290 118.6236 59.0352 29.8787 179.4963 39 G 4.0863 8.6338 106.1738 47.8296 0.0000 175.7556 40 G 3.8277 8.2934 108.6115 47.7106 0.0000 175.1880 41 E 4.0156 8.4441 121.8729 59.2988 29.6571 179.8378 42 L 4.1058 8.2624 118.5825 57.3057 41.4541 179.3883 43 W 3.6617 8.0919 127.9402 60.3352 30.7092 178.0784 44 R 3.8453 8.1703 117.2590 58.9681 29.5810 178.5912 45 A 4.1649 7.7168 119.8111 53.6491 18.4067 177.4484 46 M 3.8782 6.9838 117.5275 55.8134 32.3180 175.9919 47 K 3.9440 8.5078 125.9885 57.5528 33.0114 176.0804 48 D 4.6037 7.8108 117.9527 52.9120 40.7194 175.3679 49 K 4.6367 8.1710 124.9866 56.0057 33.2446 178.6530 50 S 4.1072 8.0497 116.5355 61.3729 62.6829 175.8295 51 E 3.6545 8.0518 122.4567 58.9727 29.0985 178.6882 52 W 4.6938 7.8994 117.7098 59.2459 29.3687 178.4899 53 E 4.1372 8.7846 119.0310 59.2579 28.9712 179.1342 54 A 4.0265 8.4458 121.2600 55.0101 18.4732 179.8135 55 K 3.9530 8.4325 117.0876 59.6300 32.1431 179.3669 56 A 4.0969 8.4626 121.0772 55.0624 18.1779 179.6310 57 A 3.9503 8.2700 119.4985 55.2053 18.4811 179.6873 58 K 3.8660 8.0739 117.8842 59.6823 32.1531 178.6343 59 A 4.0778 8.0982 121.0246 55.1266 18.2317 179.6403 60 K 3.9717 8.0744 118.0239 59.6238 32.3674 178.4983 61 D 4.3798 8.4801 118.7271 57.6521 41.1663 178.0278 62 D 4.4057 8.5780 119.7057 57.6543 40.8217 178.2467 63 Y 4.2860 8.0373 119.7788 60.5905 38.7759 177.6171 64 D 4.1682 8.7908 120.5357 57.1354 40.8924 178.6919 65 R 3.8658 8.1224 118.3327 59.4699 29.9778 179.1310 66 A 4.1333 8.2820 119.1240 54.7467 18.2923 179.5579 67 V 3.6062 7.4736 117.4356 65.7008 31.0205 178.0218 68 K 3.8588 7.9984 119.8341 59.6416 32.0953 177.6782 69 E 4.4314 7.8236 114.7061 56.4356 29.0763 176.9557 70 F 4.7573 7.6500 116.3575 57.3307 40.5891 176.4400 71 E 4.1000 7.9185 118.9315 58.6535 29.0599 177.5631 72 A 4.1724 7.4118 121.8900 54.3187 19.3658 178.0138 73 N 4.6488 7.5495 115.6840 51.4709 36.3016 175.6822 74 G 3.7949 7.9266 113.8403 46.6158 0.0000 171.2477 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 S 8.33 4.40 0.00 4.04 4.11 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 3 D 8.33 4.00 0.00 2.61 2.48 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 0.00 4 K 9.03 3.89 0.00 1.79 1.72 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.42 7.81 5 P 0.00 4.38 0.00 2.22 2.09 0.00 3.62 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 6 K 8.33 4.25 0.00 1.76 1.73 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.45 7.81 7 R 8.20 3.44 0.00 1.66 1.58 0.00 3.21 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 8 P 0.00 4.35 0.00 2.06 2.14 0.00 2.90 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 9 L 8.18 4.14 0.00 1.65 1.60 0.89 0.80 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 10 S 8.26 4.73 0.00 4.06 3.97 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 11 A 8.47 4.25 1.67 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 0.00 0.00 12 Y 7.78 2.39 0.00 2.17 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 13 A 7.72 3.49 1.26 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 0.00 0.00 0.00 14 L 8.35 3.73 0.00 1.88 1.90 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 W 7.05 2.00 0.00 1.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.17 2.53 0.00 0.93 1.17 0.47 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.23 3.98 0.00 2.73 2.75 0.00 0.00 7.18 7.52 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 18 S 7.46 4.23 0.00 4.22 3.97 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 19 A 6.95 4.39 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.35 3.69 0.00 1.76 1.74 0.00 3.07 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 21 E 7.94 3.97 0.00 1.96 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 2.32 2.26 0.00 22 S 7.84 4.01 0.00 3.88 3.95 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 0.00 0.00 0.00 23 I 7.27 3.68 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.28 0.92 0.00 0.00 24 K 7.98 3.81 0.00 1.86 1.86 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 25 R 7.50 4.01 0.00 1.88 2.10 0.00 3.26 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 26 E 8.27 4.21 0.00 2.18 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 2.35 2.37 0.00 27 N 7.79 5.04 0.00 2.80 2.67 0.00 0.00 6.83 9.28 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 28 P 0.00 4.41 0.00 2.03 2.00 0.00 3.88 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 29 G 8.63 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.18 3.84 2.04 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 1.35 0.73 0.92 0.00 0.00 31 K 8.50 4.24 0.00 1.94 1.93 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.40 7.81 32 V 8.64 3.78 2.06 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 0.97 0.00 0.00 0.92 0.00 0.00 33 T 8.01 3.86 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 34 E 8.62 4.03 0.00 2.07 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 2.33 2.31 0.00 35 V 7.91 3.54 2.06 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 1.08 0.00 0.00 0.90 0.00 0.00 36 A 7.83 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 3.93 0.00 1.95 1.91 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.65 7.81 38 R 8.93 4.11 0.00 1.88 2.07 0.00 3.17 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 39 G 8.63 4.09 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 0.00 0.00 0.00 40 G 8.29 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 0.00 0.00 0.00 41 E 8.44 4.02 0.00 2.23 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 2.38 2.62 0.00 42 L 8.26 4.11 0.00 2.20 1.90 1.20 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.09 3.66 0.00 3.24 3.22 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 44 R 8.17 3.85 0.00 1.78 1.91 0.00 3.19 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 45 A 7.72 4.16 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 46 M 6.98 3.88 0.00 1.49 1.75 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.19 0.00 47 K 8.51 3.94 0.00 1.70 1.77 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.47 7.81 48 D 7.81 4.60 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.64 0.00 1.73 1.79 0.00 1.36 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.36 0.88 7.81 50 S 8.05 4.11 0.00 4.05 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 51 E 8.05 3.65 0.00 1.66 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 1.47 1.53 0.00 52 W 7.90 4.69 0.00 3.94 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 4.14 0.00 2.05 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 0.00 2.73 2.55 0.00 54 A 8.45 4.03 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 55 K 8.43 3.95 0.00 2.07 2.04 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 56 A 8.46 4.10 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.87 0.00 1.87 1.87 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.53 0.00 0.00 0.00 0.00 1.46 1.63 7.81 59 A 8.10 4.08 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 60 K 8.07 3.97 0.00 1.95 2.06 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.78 7.81 61 D 8.48 4.38 0.00 3.00 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 62 D 8.58 4.41 0.00 2.85 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 63 Y 8.04 4.29 0.00 3.08 3.23 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 64 D 8.79 4.17 0.00 2.86 2.70 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 65 R 8.12 3.87 0.00 2.13 1.98 0.00 3.28 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 66 A 8.28 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.47 3.61 1.75 0.00 0.00 0.00 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 0.29 0.00 0.00 68 K 8.00 3.86 0.00 1.81 2.06 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.40 7.81 69 E 7.82 4.43 0.00 1.86 1.70 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 2.20 2.22 0.00 70 F 7.65 4.76 0.00 3.12 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 71 E 7.92 4.10 0.00 2.01 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 2.54 2.40 0.00 72 A 7.41 4.17 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 73 N 7.55 4.65 0.00 2.77 2.80 0.00 0.00 5.98 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.93 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00