NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5439 8.1633 118.3277 55.3543 33.5575 173.5340 2 Q 5.4080 8.4131 116.1194 51.3822 33.2661 172.9638 3 I 4.8495 8.6362 115.3904 59.5508 42.5132 173.0139 4 F 5.3202 9.3706 120.7842 55.7871 42.1042 175.0627 5 V 4.8094 9.0281 122.2552 60.9552 34.2340 174.4647 6 K 4.8010 9.5382 131.3951 56.3277 32.8895 176.2587 7 T 4.7147 8.5565 121.8560 60.7703 71.0739 174.7476 8 L 4.1277 8.4464 121.5346 57.4228 42.4005 178.4565 9 T 4.1958 7.7552 107.3206 62.0488 69.5614 174.5187 10 G 4.1016 7.8068 110.2115 45.8620 0.0000 174.3931 11 K 4.0569 7.4505 117.6682 57.0265 32.6941 175.2779 12 T 5.0684 8.2088 116.0597 61.9248 71.0099 173.6340 13 I 4.7056 9.6135 126.2867 59.4488 41.7365 173.8270 14 T 4.9288 8.3565 119.3276 60.2372 70.5001 172.8824 15 L 4.7301 8.6289 127.5631 52.8012 45.7851 175.1546 16 E 4.5864 8.8067 125.3093 56.0763 30.2135 175.8196 17 V 4.7195 8.9470 119.5464 60.0497 36.4820 174.1693 18 E 4.8130 9.2551 120.6304 53.9713 32.5649 176.1151 19 P 4.3606 0.0000 0.0000 64.5657 31.5136 177.7386 20 S 5.0771 7.5652 111.6114 56.7604 64.2918 173.5976 21 D 4.3831 8.3302 123.2620 54.7128 41.0176 176.3326 22 T 4.3200 8.5267 114.2429 60.6186 70.4039 175.5418 23 I 3.6526 7.9996 123.5509 64.9704 37.0106 178.4880 24 E 3.9352 7.9948 119.1415 59.6744 29.5518 179.1023 25 N 4.4253 8.2817 116.2840 56.1500 38.3913 177.6612 26 V 3.5538 7.5456 119.3897 65.8353 31.8712 177.8049 27 K 3.9950 8.5394 119.3392 58.7523 31.7351 178.7655 28 A 3.9487 8.2725 119.9754 55.4334 18.4356 179.3263 29 K 3.9823 7.8129 115.9540 59.8325 32.1350 179.4007 30 I 3.7089 7.8418 120.1443 64.3700 36.8295 177.7313 31 Q 4.4716 8.5091 116.3603 56.9179 28.6389 176.0999 32 D 4.7601 7.8802 119.6685 54.6723 41.3833 175.3979 33 K 4.6527 7.6853 115.9845 57.4298 37.8873 176.0019 34 E 4.4952 9.1520 116.3874 55.5860 31.4119 175.2825 35 G 4.1635 7.7703 106.3570 45.5064 0.0000 174.2908 36 I 3.6286 7.5198 119.9792 60.9886 37.4438 173.9762 37 P 4.5853 0.0000 0.0000 61.4058 32.5222 175.0912 38 P 4.1366 0.0000 0.0000 66.3792 31.3837 178.3699 39 D 4.7706 7.9995 113.1110 54.1588 39.0082 176.2431 40 Q 4.6396 8.5701 116.3339 55.9176 31.0236 174.3431 41 Q 5.0134 9.0225 120.3844 54.1368 31.4263 174.8953 42 R 4.7456 9.3589 122.2952 54.3178 34.0537 174.7001 43 L 5.2052 8.3687 120.6623 53.0482 45.6277 175.2952 44 I 4.9997 8.9786 124.4506 59.4832 40.4434 174.6159 45 F 4.8857 8.9713 128.3147 56.8999 42.4378 174.0813 46 A 3.4779 9.0678 130.2315 53.2001 15.3767 177.0071 47 G 3.8230 7.7419 105.4777 44.9764 0.0000 172.0224 48 K 4.4728 7.5290 121.4540 54.1689 34.1601 174.4450 49 Q 4.7063 8.5355 127.4163 55.7312 29.7347 174.7207 50 L 4.2436 8.6991 127.4308 53.6092 43.0051 175.5953 51 E 4.5844 8.6485 124.2734 54.6838 30.7955 175.4688 52 D 4.5884 9.1147 127.1055 57.8112 41.0069 179.4524 53 G 3.6463 9.9071 106.8736 48.1821 0.0000 174.0513 54 R 3.9789 7.7810 119.2266 56.2301 31.0404 175.9017 55 T 4.5935 9.3012 114.9725 59.5665 70.6208 174.8129 56 L 4.0135 8.2229 125.1542 58.1231 41.3247 179.8369 57 S 4.0592 8.0510 113.7353 62.1331 62.4581 176.3178 58 D 3.9796 7.8667 121.8910 56.2882 40.5306 177.8143 59 Y 4.6555 7.4494 114.1849 56.2334 39.0774 175.0636 60 N 4.1680 8.9119 118.6152 54.8169 37.9211 176.3909 61 I 3.9498 7.1532 118.3061 59.4512 36.1915 175.9342 62 Q 4.2171 7.9733 123.9629 54.8757 29.6753 176.0461 63 K 4.1750 8.3520 117.8808 57.3296 33.0843 176.4478 64 E 4.0761 8.8637 117.0997 56.9487 29.3004 174.6877 65 S 4.5652 7.7248 113.1769 59.7800 64.0519 173.2830 66 T 5.4073 8.7494 119.0106 61.8894 71.3824 173.4305 67 L 5.1164 9.1498 124.8977 53.3544 45.4292 175.1596 68 H 5.0480 9.1555 120.9504 54.8531 30.2484 173.9212 69 L 5.1411 8.3038 125.7973 53.6608 43.4942 175.9547 70 V 4.6051 8.7787 124.6074 59.6118 35.4013 174.1278 71 L 4.5400 8.4881 124.9803 55.2120 42.5044 176.2088 72 R 4.3120 8.4054 127.5976 55.8749 31.1331 175.9907 73 L 4.5382 8.3993 124.7386 53.4951 44.3102 175.6625 74 R 4.5205 8.3805 122.9667 54.8018 33.3753 175.5543 75 G 3.6650 9.1617 104.8494 44.4993 0.0000 174.1040 76 G 3.9877 8.1931 110.1243 46.1254 0.0000 172.0199 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 8.16 4.54 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 2 Q 8.41 5.41 0.00 1.80 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 3 I 8.64 4.85 2.07 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 1.23 1.02 0.82 0.00 0.00 4 F 9.37 5.32 0.00 2.94 3.06 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 0.00 0.00 0.00 5 V 9.03 4.81 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 1.01 0.00 0.00 0.95 0.00 0.00 6 K 9.54 4.80 0.00 1.83 1.55 0.00 1.64 0.00 0.00 1.37 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.44 7.81 7 T 8.56 4.71 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 1.29 0.00 0.00 8 L 8.45 4.13 0.00 1.61 1.72 0.92 0.87 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 9 T 7.76 4.20 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 7.81 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.45 4.06 0.00 1.97 1.78 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.43 7.81 12 T 8.21 5.07 4.26 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 1.24 0.00 0.00 13 I 9.61 4.71 1.90 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 1.13 1.51 0.98 0.00 0.00 14 T 8.36 4.93 4.23 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 1.23 0.00 0.00 15 L 8.63 4.73 0.00 1.52 1.43 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.81 4.59 0.00 1.93 1.82 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 2.39 2.25 0.00 17 V 8.95 4.72 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.87 0.00 0.00 18 E 9.26 4.81 0.00 1.97 1.79 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 2.20 2.23 0.00 19 P 0.00 4.36 0.00 2.16 2.07 0.00 3.51 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 20 S 7.57 5.08 0.00 3.79 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 21 D 8.33 4.38 0.00 2.84 2.60 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 0.00 22 T 8.53 4.32 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 I 8.00 3.65 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.94 0.92 0.00 0.00 24 E 7.99 3.94 0.00 1.97 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 2.38 2.45 0.00 25 N 8.28 4.43 0.00 2.76 2.88 0.00 0.00 6.76 7.29 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 26 V 7.55 3.55 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.95 0.00 0.00 27 K 8.54 4.00 0.00 1.92 1.94 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 28 A 8.27 3.95 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 29 K 7.81 3.98 0.00 2.09 1.87 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.70 7.81 30 I 7.84 3.71 2.14 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 1.58 1.08 0.95 0.00 0.00 31 Q 8.51 4.47 0.00 2.38 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 32 D 7.88 4.76 0.00 2.82 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 33 K 7.69 4.65 0.00 1.68 1.91 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.52 7.81 34 E 9.15 4.50 0.00 2.06 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 2.24 2.36 0.00 35 G 7.77 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 3.63 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 1.47 0.45 0.91 0.00 0.00 37 P 0.00 4.59 0.00 2.29 2.16 0.00 3.47 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 38 P 0.00 4.14 0.00 2.20 2.15 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.00 4.77 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.57 4.64 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 41 Q 9.02 5.01 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 42 R 9.36 4.75 0.00 1.77 1.79 0.00 3.19 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.37 5.21 0.00 1.53 1.50 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.98 5.00 2.03 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 1.13 1.05 0.87 0.00 0.00 45 F 8.97 4.89 0.00 3.03 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 46 A 9.07 3.48 0.35 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 47 G 7.74 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 48 K 7.53 4.47 0.00 1.78 1.74 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.35 7.81 49 Q 8.54 4.71 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.70 4.24 0.00 1.42 1.31 0.80 -0.26 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 51 E 8.65 4.58 0.00 2.09 1.97 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 2.28 2.46 0.00 52 D 9.11 4.59 0.00 2.80 2.75 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 0.00 0.00 0.00 0.00 53 G 9.91 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.78 3.98 0.00 1.95 1.57 0.00 3.14 0.00 0.00 2.85 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 55 T 9.30 4.59 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 1.22 0.00 0.00 56 L 8.22 4.01 0.00 1.88 1.69 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.05 4.06 0.00 4.04 4.29 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 58 D 7.87 3.98 0.00 2.36 2.45 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 59 Y 7.45 4.66 0.00 2.91 2.96 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 0.00 0.00 0.00 60 N 8.91 4.17 0.00 2.71 2.94 0.00 0.00 7.03 7.82 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 61 I 7.15 3.95 1.65 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.65 0.39 0.00 0.00 62 Q 7.97 4.22 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 63 K 8.35 4.18 0.00 1.93 1.94 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.45 7.81 64 E 8.86 4.08 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.92 0.00 65 S 7.72 4.57 0.00 3.83 3.84 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 66 T 8.75 5.41 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 1.32 0.00 0.00 67 L 9.15 5.12 0.00 1.73 1.58 1.03 0.99 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 68 H 9.16 5.05 0.00 3.10 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.30 5.14 0.00 1.68 1.56 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.78 4.61 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 0.78 0.00 0.00 0.94 0.00 0.00 71 L 8.49 4.54 0.00 1.66 1.63 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.41 4.31 0.00 1.89 1.81 0.00 3.26 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 73 L 8.40 4.54 0.00 1.61 1.53 0.92 0.88 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 74 R 8.38 4.52 0.00 1.75 1.86 0.00 3.38 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 75 G 9.16 3.67 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 0.00 76 G 8.19 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00