NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4735 8.3049 120.3255 54.9580 33.6618 174.6599 2 K 4.5863 7.9250 116.2803 52.8792 36.2458 174.5138 3 K 4.8783 8.4640 117.8728 57.0052 35.4665 178.2450 4 L 4.0288 7.7990 120.2035 58.1569 40.3025 178.9297 5 R 3.7930 7.9544 119.7684 59.5348 29.9550 178.1863 6 E 3.9968 8.0805 116.6623 58.9721 29.7566 178.4067 7 E 3.8375 7.8818 120.4438 59.1046 29.8605 178.3098 8 A 3.9773 8.4740 120.8595 55.4266 18.3671 179.3485 9 A 3.7222 7.6328 119.0763 55.2076 18.3529 179.8463 10 K 3.8959 8.0559 118.1960 59.6044 32.2298 179.1039 11 L 3.8910 7.6983 118.7845 57.7038 41.3337 179.4878 12 F 2.3000 7.6240 117.3451 59.8116 38.6366 177.2458 13 E 3.9169 8.0359 119.0109 58.8175 29.1480 178.1563 14 E 3.8767 7.5765 119.3814 59.1589 29.6471 178.9571 15 W 4.4160 7.1738 118.1952 59.8929 29.1320 178.5356 16 K 4.1172 8.2128 118.8673 58.9082 31.4961 178.5542 17 K 3.9103 8.2235 120.5621 59.7122 32.1932 178.8164 18 L 4.0537 7.8112 118.7064 57.4228 41.5855 179.3536 19 A 4.0302 7.9485 120.9342 55.0298 18.0934 179.3060 20 E 3.8831 8.3799 117.3283 59.4805 29.6996 178.4342 21 E 4.0622 8.0572 119.2248 59.0735 29.6767 178.6110 22 A 4.0941 8.1310 120.8747 54.7751 18.2955 179.2331 23 A 3.9969 7.9829 119.3373 55.4504 18.2551 180.0114 24 K 4.3997 7.7011 117.0178 58.8999 31.8891 179.5455 25 L 4.0398 7.7618 118.7041 57.4675 41.6274 178.5164 26 L 4.1797 7.9070 118.0860 56.9007 42.0510 177.6669 27 E 4.1802 7.9804 116.6361 56.7007 30.4285 177.5479 28 G 4.3042 8.3117 114.3028 43.8978 0.0000 175.3821 29 G 4.9743 7.3095 119.2932 45.9803 0.0000 173.6679 30 G 4.0286 7.5907 109.0051 44.4496 0.0000 172.8417 31 G 3.8174 7.3926 107.5909 44.6534 0.0000 170.8414 32 G 3.6076 8.6350 111.4984 45.2468 0.0000 175.8671 33 G 3.5732 7.8837 111.4159 45.8401 0.0000 174.7642 34 G 4.0217 8.5434 109.0898 43.7452 0.0000 175.1130 35 G 4.0261 7.3386 111.7801 44.1456 0.0000 171.8258 36 E 3.9717 8.0538 124.0849 59.4473 30.0131 177.5480 37 L 3.9911 8.0021 118.7930 58.0995 41.6731 178.9588 38 M 4.1755 7.8288 117.3647 58.1318 32.1350 178.1774 39 K 4.0376 8.1285 120.1228 59.0900 32.1181 178.8468 40 L 3.9915 7.8138 118.2537 57.9208 41.9667 178.8436 41 C 4.2895 7.7304 115.2103 62.8915 28.1095 175.7318 42 E 3.9771 8.0505 120.3559 59.2090 28.9366 178.3467 43 E 3.9149 8.2643 119.3281 59.1321 29.3873 178.7363 44 A 3.9991 7.7758 119.5230 55.2543 18.4045 179.3176 45 A 4.1625 7.9999 118.6990 54.9684 18.6112 179.5804 46 K 3.9729 8.2585 118.6379 59.4251 32.2234 178.9235 47 K 4.0047 7.9699 120.0280 59.4219 32.0540 178.6344 48 A 4.3123 7.9512 120.5144 55.1939 18.0369 179.4448 49 E 4.1771 7.9753 116.2718 59.4098 29.8234 178.6574 50 E 4.1800 8.1574 119.0526 59.0169 29.7329 178.5974 51 L 4.1210 8.1832 119.3044 57.5872 41.7416 179.1249 52 F 3.8309 8.3008 117.5750 60.3121 38.5425 177.5515 53 K 3.9943 7.5918 117.9977 59.5115 32.2390 178.6466 54 L 4.1310 7.8881 118.3938 57.8372 41.8431 179.0880 55 A 3.9736 8.3062 120.8864 54.7169 18.0049 179.1679 56 E 3.8593 8.1532 118.2550 59.7666 29.5288 178.8110 57 E 4.0821 8.0590 116.9021 59.0048 29.8486 178.3597 58 R 4.0446 7.6037 117.4495 58.5098 30.1442 177.9877 59 L 4.6271 7.8814 117.1285 54.3808 42.8141 176.9111 60 K 4.3367 7.9194 119.8088 53.1655 32.4903 175.1838 61 K 4.0314 7.9680 127.7051 56.0281 32.8448 176.7765 62 L 4.1901 8.4727 125.0051 55.1457 41.5933 176.7474 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 8.30 4.47 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 7.92 4.59 0.00 1.75 1.65 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.46 4.88 0.00 1.90 2.02 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.34 7.81 4 L 7.80 4.03 0.00 1.94 1.97 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.95 3.79 0.00 1.84 1.95 0.00 3.33 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 1.66 1.62 0.00 6 E 8.08 4.00 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 7 E 7.88 3.84 0.00 2.20 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 2.30 2.47 0.00 8 A 8.47 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.63 3.72 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.90 0.00 2.10 1.86 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 11 L 7.70 3.89 0.00 1.86 1.55 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.62 2.30 0.00 3.25 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 3.92 0.00 2.06 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 2.29 2.31 0.00 14 E 7.58 3.88 0.00 1.99 1.87 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 2.36 2.38 0.00 15 W 7.17 4.42 0.00 3.57 3.02 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 16 K 8.21 4.12 0.00 1.90 2.02 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.49 7.81 17 K 8.22 3.91 0.00 2.10 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 18 L 7.81 4.05 0.00 1.78 1.73 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.95 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 20 E 8.38 3.88 0.00 2.02 2.20 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 2.34 2.47 0.00 21 E 8.06 4.06 0.00 2.27 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 22 A 8.13 4.09 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 23 A 7.98 4.00 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 24 K 7.70 4.40 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.34 7.81 25 L 7.76 4.04 0.00 1.82 1.73 0.93 0.79 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 26 L 7.91 4.18 0.00 1.62 1.73 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.98 4.18 0.00 2.10 2.20 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 2.42 2.34 0.00 28 G 8.31 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.31 4.97 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 0.00 0.00 0.00 30 G 7.59 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.64 3.61 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 0.00 0.00 0.00 33 G 7.88 3.57 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 0.00 34 G 8.54 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 35 G 7.34 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 3.97 0.00 2.05 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 2.40 0.00 37 L 8.00 3.99 0.00 1.73 1.72 0.97 0.86 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 38 M 7.83 4.18 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 39 K 8.13 4.04 0.00 1.85 1.97 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.63 7.81 40 L 7.81 3.99 0.00 1.78 1.72 0.92 0.90 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 41 C 7.73 4.29 0.00 3.02 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 42 E 8.05 3.98 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 2.33 2.34 0.00 43 E 8.26 3.91 0.00 2.31 2.12 0.00 0.00 0.00 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 2.39 0.00 44 A 7.78 4.00 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 45 A 8.00 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 3.97 0.00 2.06 1.96 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 47 K 7.97 4.00 0.00 2.07 1.84 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.54 7.81 48 A 7.95 4.31 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 49 E 7.98 4.18 0.00 2.26 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 2.35 2.36 0.00 50 E 8.16 4.18 0.00 2.09 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 0.00 2.42 2.44 0.00 51 L 8.18 4.12 0.00 2.05 1.87 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.30 3.83 0.00 3.36 3.07 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 53 K 7.59 3.99 0.00 2.03 1.89 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.57 7.81 54 L 7.89 4.13 0.00 1.80 1.70 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.31 3.97 1.07 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 56 E 8.15 3.86 0.00 2.31 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 0.00 2.34 2.52 0.00 57 E 8.06 4.08 0.00 2.00 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 2.29 2.40 0.00 58 R 7.60 4.04 0.00 1.92 1.95 0.00 3.36 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 59 L 7.88 4.63 0.00 1.67 1.67 0.89 0.62 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 60 K 7.92 4.34 0.00 1.81 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 61 K 7.97 4.03 0.00 1.75 1.70 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.46 7.81 62 L 8.47 4.19 0.00 1.66 1.56 0.97 0.93 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