NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3881 8.2544 119.7076 56.4971 30.4989 174.4238 2 Q 3.8158 8.7599 124.0551 56.9000 29.6585 171.5473 3 E 3.4642 9.7808 119.2838 57.1452 27.6845 169.7493 4 D 4.3667 8.5910 128.6433 53.5251 41.1533 172.5737 5 K 4.3972 8.2935 121.0710 58.2462 34.2119 177.2510 6 D 4.6735 8.1196 114.7423 53.8387 39.6863 176.5215 7 D 4.4960 7.7066 121.2167 56.5560 39.2089 177.7218 8 L 3.8137 7.2690 120.0825 54.9367 42.2589 176.1748 9 D 4.5665 8.7433 126.1803 54.8187 38.9686 177.2322 10 V 3.9064 8.1537 121.6273 62.9139 32.0543 177.7563 11 T 4.2359 7.6598 113.9949 63.9227 68.4663 175.3929 12 E 4.0769 8.2939 117.8223 58.5706 29.8699 176.6167 13 L 3.8577 7.1847 119.9507 54.6343 41.5197 177.1016 14 T 4.3487 8.0567 109.8330 61.2261 70.9240 173.6584 15 N 4.6596 8.5210 117.1202 55.5848 39.3488 177.6060 16 E 4.0036 8.1330 114.6747 58.8233 29.5166 177.3014 17 D 4.5612 7.6287 117.9873 55.6035 41.9288 177.6833 18 L 5.0775 7.5486 120.2700 56.9947 40.6845 178.6327 19 L 3.9500 7.9285 119.8777 57.4907 41.5339 178.3837 20 D 4.3520 7.7833 117.1151 57.0645 41.1546 178.1574 21 Q 4.2630 8.3846 118.5682 57.8929 28.5744 177.9292 22 L 4.3160 7.6600 119.0220 56.7156 42.6417 178.5674 23 V 4.4565 8.0420 116.9124 63.9104 31.4991 176.1430 24 K 4.3751 7.6119 116.0358 58.9052 34.1474 177.5125 25 Y 3.9766 7.9998 114.4457 58.8862 37.7974 176.1311 26 G 4.0669 8.0455 109.0427 45.4863 0.0000 173.3419 27 V 4.3215 8.3875 119.6513 60.5398 33.2492 174.1465 28 N 5.1614 8.3945 125.1323 50.9805 39.4112 171.8832 29 P 4.1936 0.0000 0.0000 65.1965 33.3835 177.4886 30 G 3.8805 8.6354 108.2357 43.1639 0.0000 173.5846 31 P 4.4454 0.0000 0.0000 62.3485 31.6269 177.9183 32 I 4.8722 7.7150 130.7606 59.3063 36.7619 175.4389 33 V 3.7351 7.6110 115.0247 61.4357 32.1322 177.7192 34 G 3.8324 8.6085 107.4132 47.2239 0.0000 174.1483 35 T 4.4900 7.7868 108.6089 61.5444 69.9775 175.2510 36 T 4.2619 7.9053 113.8028 64.2696 69.8120 177.0037 37 R 3.9870 7.8391 120.9131 58.8211 29.9599 178.3319 38 K 4.1405 7.9897 117.4715 58.9557 32.3713 178.2817 39 L 3.8742 7.9531 120.3880 58.7529 41.6986 178.3331 40 Y 4.4131 7.3965 114.6843 59.3476 37.8421 177.5883 41 E 4.2367 8.4090 121.2068 57.7328 29.5508 178.1421 42 K 4.2053 7.9396 119.5198 57.7181 33.7074 177.6342 43 K 3.8088 8.1326 117.0196 59.4020 32.4297 177.4082 44 L 4.2498 7.7670 119.3198 56.6064 42.5960 178.4541 45 L 4.0190 7.9179 118.6060 57.1146 41.7588 179.4225 46 K 3.9231 8.0001 117.3887 58.7668 32.0934 177.5459 47 L 4.4752 7.4199 116.0238 54.6190 41.7024 176.8776 48 R 4.2397 7.1334 115.6647 56.1130 31.9538 175.4730 49 E 4.3959 8.4349 118.4137 57.1423 28.1541 176.4287 50 Q 3.1713 8.6707 109.2429 57.1647 29.0539 176.8448 51 G 3.7282 7.4223 106.9307 48.7872 0.0000 172.8031 52 T 4.4067 8.1006 119.1181 64.0640 76.3298 173.0927 53 E 4.7851 7.8532 117.8338 56.7017 29.6437 177.1494 54 S 4.7697 8.5260 107.3654 57.6903 63.8156 172.9939 55 R 4.7265 7.8693 117.9018 54.8988 33.9439 174.1258 56 S 4.6136 7.8491 113.3186 57.1612 62.8143 174.2093 57 S 4.1275 7.9730 119.6263 59.8184 62.5377 172.2057 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 R 8.25 4.39 0.00 1.80 2.00 0.00 3.32 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 2 Q 8.76 3.82 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.21 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 3 E 9.78 3.46 0.00 2.12 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 2.26 0.00 4 D 8.59 4.37 0.00 2.83 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.29 4.40 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.92 0.00 0.00 3.25 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.57 7.81 6 D 8.12 4.67 0.00 2.78 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 0.00 0.00 0.00 7 D 7.71 4.50 0.00 2.77 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 8 L 7.27 3.81 0.00 1.65 1.67 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.74 4.57 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 3.91 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 0.88 0.00 0.00 0.97 0.00 0.00 11 T 7.66 4.24 4.64 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 1.22 0.00 0.00 12 E 8.29 4.08 0.00 2.12 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 2.28 2.31 0.00 13 L 7.18 3.86 0.00 1.74 2.04 1.05 1.07 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 14 T 8.06 4.35 4.49 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 1.22 0.00 0.00 15 N 8.52 4.66 0.00 2.78 2.89 0.00 0.00 6.60 7.68 0.00 0.00 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 E 8.13 4.00 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 17 D 7.63 4.56 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.55 5.08 0.00 2.09 2.07 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.93 3.95 0.00 1.83 1.74 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.78 4.35 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.38 4.26 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.42 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 22 L 7.66 4.32 0.00 1.64 1.71 0.94 0.61 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 23 V 8.04 4.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.89 0.00 0.00 24 K 7.61 4.38 0.00 2.01 2.01 0.00 0.99 0.00 0.00 0.91 0.00 0.00 2.39 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.48 1.35 7.81 25 Y 8.00 3.98 0.00 3.04 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 26 G 8.05 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 27 V 8.39 4.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 28 N 8.39 5.16 0.00 2.64 2.65 0.00 0.00 7.12 7.65 0.00 0.00 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 P 0.00 4.19 0.00 1.27 0.49 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.35 0.00 30 G 8.64 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.45 0.00 2.24 2.15 0.00 3.94 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 32 I 7.72 4.87 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 1.09 0.00 0.00 33 V 7.61 3.74 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 34 G 8.61 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 35 T 7.79 4.49 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 36 T 7.91 4.26 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 37 R 7.84 3.99 0.00 1.96 2.08 0.00 3.19 0.00 0.00 3.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 38 K 7.99 4.14 0.00 1.69 1.86 0.00 1.80 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 39 L 7.95 3.87 0.00 1.39 1.11 0.57 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.40 4.41 0.00 3.14 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 41 E 8.41 4.24 0.00 2.25 2.44 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 2.39 2.17 0.00 42 K 7.94 4.21 0.00 1.84 1.74 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.45 7.81 43 K 8.13 3.81 0.00 1.86 2.08 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 44 L 7.77 4.25 0.00 1.71 1.86 0.71 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.92 4.02 0.00 1.89 1.66 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.00 3.92 0.00 1.72 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.61 7.81 47 L 7.42 4.48 0.00 1.55 1.69 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.13 4.24 0.00 0.70 1.64 0.00 3.27 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 49 E 8.43 4.40 0.00 2.08 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 2.54 2.27 0.00 50 Q 8.67 3.17 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.91 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 51 G 7.42 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 52 T 8.10 4.41 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 53 E 7.85 4.79 0.00 2.04 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 2.17 2.23 0.00 54 S 8.53 4.77 0.00 3.82 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 55 R 7.87 4.73 0.00 1.70 1.73 0.00 3.18 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 56 S 7.85 4.61 0.00 3.97 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 57 S 7.97 4.13 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00