NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5575 8.1476 120.6116 55.4122 33.7918 173.7485 2 L 4.8799 8.4853 127.4693 52.8745 41.9635 174.5012 3 I 4.8371 9.6159 117.3558 58.9952 41.4971 175.3239 4 K 5.1532 8.8233 122.6791 54.6365 35.0730 175.6695 5 V 4.6487 8.4069 123.0996 59.9935 34.4566 174.4166 6 K 5.0040 9.2936 125.7541 55.0419 34.2152 177.1728 7 T 4.4491 9.0808 115.7084 60.5548 70.1931 175.2074 8 L 4.2956 8.4120 119.4626 56.3397 41.3517 177.8501 9 T 4.3547 7.8430 108.0238 61.0245 69.3378 175.3897 10 G 3.9302 8.2636 111.2337 44.9944 0.0000 173.6825 11 K 4.1412 7.6545 121.6208 56.2279 33.3282 174.9855 12 E 5.1307 8.8114 128.4649 54.3934 31.4605 174.7297 13 I 4.6601 8.6006 119.9271 59.1717 41.1445 173.9579 14 E 5.0775 8.6368 122.5813 55.0673 31.1530 175.5216 15 I 4.6865 8.6637 123.9450 59.5957 41.6968 173.9271 16 D 5.2377 8.6628 124.8901 52.9169 42.0631 175.6094 17 I 4.7512 8.7103 123.2667 59.2741 41.9010 173.8339 18 E 4.7393 9.6612 125.0985 53.7189 31.9351 175.7230 19 P 3.7588 0.0000 0.0000 65.8698 31.6085 177.8247 20 T 4.1555 7.7147 110.2318 63.0664 67.9670 174.5224 21 D 4.5158 8.5774 122.5406 54.5757 41.6497 176.0224 22 K 4.6646 8.3077 121.2640 55.6665 33.5018 178.3573 23 V 3.6489 8.4608 121.4320 66.1805 31.3636 178.3556 24 E 4.1021 8.1421 116.4868 58.7073 29.5964 178.9403 25 R 4.4741 7.9090 121.7960 58.7599 30.0792 178.0945 26 I 3.6675 7.7733 119.2001 64.4431 37.1075 178.1683 27 K 4.5317 7.7432 119.8194 59.0727 32.0358 179.1112 28 E 3.9726 8.1385 118.6063 59.6266 29.5598 179.6555 29 R 3.9422 8.4992 118.3444 59.1325 29.9846 179.3471 30 V 3.6333 7.9508 118.2092 66.0911 31.2767 177.6748 31 E 3.8798 8.5983 119.4436 59.1829 29.1131 178.3011 32 E 3.9698 8.0648 118.6867 59.1885 29.7766 178.4574 33 K 4.2461 7.5311 115.4883 57.8057 32.6406 177.9547 34 E 4.5972 8.4244 116.3847 55.1253 30.9971 177.1917 35 G 3.8115 8.2259 106.9523 45.4381 0.0000 173.7890 36 I 3.9176 7.4651 120.4047 59.4870 36.6153 173.7794 37 P 4.4262 0.0000 0.0000 61.3318 31.6794 175.8105 38 P 4.2532 0.0000 0.0000 65.3210 31.2072 178.4348 39 Q 4.0082 8.1535 116.6736 58.4842 28.6345 176.8115 40 Q 4.4873 8.2331 114.8406 55.6617 29.1721 175.0150 41 Q 4.3552 7.7177 118.2694 55.4127 29.9256 174.9985 42 R 4.5751 8.3224 119.9877 54.6219 33.8861 173.8614 43 L 5.1259 8.4727 124.2926 53.1604 44.0751 175.8036 44 I 5.0376 8.5911 123.6969 59.9263 41.0209 174.4433 45 Y 4.6714 8.8725 126.3489 56.8664 42.1294 174.7615 46 S 3.5161 9.1897 123.2518 59.2443 60.7943 173.0427 47 G 3.9510 8.2116 105.9099 45.2442 0.0000 173.7593 48 K 4.5401 7.8314 119.8047 54.5771 33.9911 174.9969 49 Q 4.9320 8.3414 120.7409 54.6677 29.9867 175.1992 50 M 3.7642 8.2552 124.9904 55.2374 32.0629 176.0504 51 N 4.6028 9.7185 123.8171 53.3939 39.8880 175.9382 52 D 4.2007 8.8587 124.7423 57.3469 41.3819 177.8497 53 E 4.1172 9.1827 118.7180 58.9429 29.8875 177.5421 54 K 4.2297 7.6302 117.3984 56.6958 32.8104 175.4564 55 T 4.9541 9.3505 114.7918 59.7496 70.1216 174.6745 56 A 4.0246 8.6751 127.4145 55.2246 18.7564 180.3842 57 A 3.9630 8.0298 119.1252 55.5733 18.5899 179.4434 58 D 3.7421 7.4889 114.4317 57.3310 40.8688 177.4734 59 Y 4.5483 7.8944 113.4651 56.7605 38.6596 175.3332 60 K 3.8279 8.7425 119.9043 57.4149 30.1772 176.0389 61 I 3.6154 7.6087 118.2990 60.9447 37.6352 177.1016 62 L 4.4851 8.3610 125.9597 52.6030 43.9328 177.1005 63 G 3.6246 8.7687 104.4657 50.5195 0.0000 174.1913 64 G 3.9277 8.5469 108.2114 45.5509 0.0000 174.3386 65 S 4.5161 7.7434 115.5630 58.1240 64.5292 173.9823 66 V 4.8221 8.4316 121.4727 61.2931 33.5142 174.6612 67 L 4.9459 9.7779 128.1457 53.5282 44.5057 175.0980 68 H 5.3426 8.5915 118.2152 54.0327 32.2111 173.0665 69 L 4.7791 8.8393 123.2978 54.4690 42.6718 176.1061 70 V 4.5858 8.5247 121.8249 61.8990 35.3811 173.4065 71 L 4.3736 8.0848 121.7002 54.1279 44.5434 173.3984 72 A 4.6744 8.3398 124.2079 50.2421 21.4157 175.5777 73 L 4.6880 8.4774 123.0464 53.2544 43.4950 176.7536 74 R 4.4452 8.3505 117.0145 55.9302 30.6971 176.9049 75 G 3.7297 7.9864 107.8655 45.6690 0.0000 173.8084 76 G 3.7265 8.4633 108.6307 45.4086 0.0000 173.7920 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 8.15 4.56 0.00 2.32 2.03 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 2 L 8.49 4.88 0.00 1.73 1.64 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 3 I 9.62 4.84 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.91 0.00 0.00 4 K 8.82 5.15 0.00 1.69 1.70 0.00 1.60 0.00 0.00 2.07 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.34 7.81 5 V 8.41 4.65 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 6 K 9.29 5.00 0.00 1.63 1.76 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.25 7.81 7 T 9.08 4.45 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 1.27 0.00 0.00 8 L 8.41 4.30 0.00 1.66 1.76 0.92 0.78 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 9 T 7.84 4.35 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 10 G 8.26 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 11 K 7.65 4.14 0.00 1.90 1.69 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.38 7.81 12 E 8.81 5.13 0.00 1.98 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 2.25 0.00 13 I 8.60 4.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.96 0.00 0.00 14 E 8.64 5.08 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 15 I 8.66 4.69 1.85 0.00 0.00 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 1.21 0.84 0.89 0.00 0.00 16 D 8.66 5.24 0.00 2.52 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 17 I 8.71 4.75 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 0.92 0.00 0.00 18 E 9.66 4.74 0.00 1.96 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 2.20 2.38 0.00 19 P 0.00 3.76 0.00 2.16 2.14 0.00 3.58 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 2.12 2.10 0.00 20 T 7.71 4.16 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 21 D 8.58 4.52 0.00 2.83 2.57 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 22 K 8.31 4.66 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.67 1.43 7.81 23 V 8.46 3.65 2.32 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 1.13 0.00 0.00 1.10 0.00 0.00 24 E 8.14 4.10 0.00 2.24 2.35 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 2.37 2.37 0.00 25 R 7.91 4.47 0.00 1.96 2.11 0.00 3.20 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 26 I 7.77 3.67 1.99 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 1.62 0.67 0.87 0.00 0.00 27 K 7.74 4.53 0.00 2.01 1.89 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.57 7.81 28 E 8.14 3.97 0.00 2.14 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 2.33 2.64 0.00 29 R 8.50 3.94 0.00 1.95 1.97 0.00 3.28 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 30 V 7.95 3.63 2.37 0.00 0.00 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 0.00 0.00 0.93 0.00 0.00 31 E 8.60 3.88 0.00 2.17 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 2.31 2.32 0.00 32 E 8.06 3.97 0.00 2.19 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 0.00 2.32 2.35 0.00 33 K 7.53 4.25 0.00 1.85 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 34 E 8.42 4.60 0.00 1.89 1.96 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 2.23 2.42 0.00 35 G 8.23 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.47 3.92 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 1.41 0.57 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.17 2.03 0.00 3.89 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 38 P 0.00 4.25 0.00 2.21 2.33 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 39 Q 8.15 4.01 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.28 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 40 Q 8.23 4.49 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 41 Q 7.72 4.36 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 42 R 8.32 4.58 0.00 1.88 1.79 0.00 3.26 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 43 L 8.47 5.13 0.00 1.53 1.51 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.59 5.04 1.89 0.00 0.00 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 1.11 1.82 0.94 0.00 0.00 45 Y 8.87 4.67 0.00 2.96 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 46 S 9.19 3.52 0.00 3.19 3.48 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 47 G 8.21 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 48 K 7.83 4.54 0.00 2.01 1.83 0.00 1.92 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.39 7.81 49 Q 8.34 4.93 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 50 M 8.26 3.76 0.00 1.58 1.89 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 1.64 0.00 51 N 9.72 4.60 0.00 2.86 2.83 0.00 0.00 6.78 8.40 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 52 D 8.86 4.20 0.00 2.71 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 E 9.18 4.12 0.00 1.93 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 2.58 2.44 0.00 54 K 7.63 4.23 0.00 1.95 1.64 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.30 7.81 55 T 9.35 4.95 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 1.43 0.00 0.00 56 A 8.68 4.02 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 57 A 8.03 3.96 1.33 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 0.00 0.00 58 D 7.49 3.74 0.00 2.29 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 0.00 0.00 0.00 0.00 59 Y 7.89 4.55 0.00 2.98 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 3.83 0.00 1.88 1.92 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 I 7.61 3.62 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.28 0.65 0.00 0.00 62 L 8.36 4.49 0.00 1.75 1.63 0.98 0.97 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 63 G 8.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 65 S 7.74 4.52 0.00 3.85 3.78 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 66 V 8.43 4.82 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 67 L 9.78 4.95 0.00 1.60 1.53 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.59 5.34 0.00 3.06 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.84 4.78 0.00 1.61 1.59 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.52 4.59 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 0.73 0.00 0.00 0.93 0.00 0.00 71 L 8.08 4.37 0.00 1.58 1.47 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.34 4.67 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 L 8.48 4.69 0.00 1.62 1.59 0.92 0.93 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 74 R 8.35 4.45 0.00 1.89 2.02 0.00 3.04 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 75 G 7.99 3.73 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 0.00 0.00 0.00 76 G 8.46 3.73 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 0.00 0.00 0.00