NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 M 4.4905 8.3049 120.3278 55.3449 34.0498 176.5404 11 L 4.0521 7.8295 116.3927 56.1140 42.4663 176.6382 12 A 4.2516 8.8663 121.7055 53.6717 20.0379 177.1860 13 K 4.6490 7.7209 113.0189 54.5097 34.8929 175.9889 14 L 4.4272 8.2236 122.1507 54.0719 42.9091 176.0875 15 C 4.6335 8.3313 119.7223 57.9091 33.6545 173.3700 16 K 4.7166 8.5769 125.9562 54.7936 34.4813 175.5656 17 T 4.6462 8.1139 114.3696 60.4099 70.1193 173.3017 18 I 4.4807 8.3728 129.0005 60.9093 38.7907 174.7118 19 Y 4.8023 8.3550 122.9188 55.6420 40.3078 172.9735 20 P 4.3484 0.0000 0.0000 63.5044 31.5086 176.5145 21 L 4.1302 9.2792 127.3916 58.2832 39.7076 179.0520 22 A 3.9681 7.9117 119.8558 55.2370 18.5291 178.5404 23 D 4.5637 8.0766 117.4429 57.5503 40.7764 178.9302 24 L 4.3414 7.7957 116.8613 56.5964 41.1428 176.6427 25 L 4.5541 8.0811 121.8711 54.8763 42.7257 175.7666 26 A 3.9707 9.6295 114.7839 51.5056 15.3516 179.2333 27 R 4.6151 8.1481 120.3523 55.1001 33.8333 170.8178 28 P 4.7222 0.0000 0.0000 62.4288 30.4150 175.5107 29 L 4.9869 8.5620 121.9322 53.7292 41.9614 177.3229 30 P 4.5868 0.0000 0.0000 62.6000 33.1834 174.7749 31 E 4.2858 8.9005 116.0790 58.6982 30.3308 179.2859 32 G 4.4437 8.4728 105.9341 47.5790 0.0000 173.1704 33 V 3.5924 7.4866 118.2509 62.1227 31.2180 174.9009 34 D 4.7698 8.8674 128.6829 52.4023 41.6518 175.9882 35 P 4.2047 0.0000 0.0000 65.5557 31.3235 177.5790 36 L 4.0129 7.6742 117.5704 56.9826 40.8133 177.1501 37 K 4.4516 7.2274 117.8582 55.3667 33.1122 175.8046 38 L 2.0000 7.3489 126.9234 57.0048 42.3218 179.0960 39 E 2.8614 8.4311 114.9559 59.0902 29.1571 178.3039 40 I 3.9919 7.4301 111.4442 62.5383 38.3593 175.7367 41 Y 4.7525 8.0486 121.6979 56.0746 38.2052 175.0094 42 L 4.9709 7.5411 120.1201 54.1063 42.6166 176.6957 43 T 4.2340 8.6527 114.4082 61.5074 70.7154 174.9812 44 D 4.8982 8.7694 122.3647 56.9623 39.2397 179.3447 45 E 4.3236 8.1963 119.3681 59.5116 29.5757 178.6716 46 D 4.3886 8.0989 117.5060 57.1630 41.2519 177.8980 47 F 4.1475 9.5554 121.9138 61.2973 39.4345 176.9629 48 E 4.0543 9.3687 119.1404 58.6235 29.1143 178.6898 49 F 4.1009 8.5992 120.3348 60.1015 39.7150 176.5238 50 A 4.6194 8.4214 118.7241 52.4566 20.0455 177.3267 51 L 4.6396 7.9332 114.6178 53.1927 43.8778 177.4615 52 D 5.1535 8.2968 115.4787 54.4687 38.4417 172.6059 53 M 4.6608 7.2740 117.0449 53.7747 35.6359 174.1393 54 T 3.8622 7.1158 111.2631 59.8772 70.4540 174.7631 55 R 3.4648 7.9924 125.1824 59.2684 30.0597 177.6442 56 D 4.5549 7.7274 114.8438 55.1004 41.7852 177.2281 57 E 4.2390 8.5333 120.8330 58.8183 30.1321 177.5337 58 Y 4.2232 7.6351 116.0650 60.9909 37.7033 177.9334 59 N 4.3045 7.7383 116.1897 55.6600 38.6293 175.5354 60 A 4.4662 7.1560 120.8456 53.1202 20.6143 177.3484 61 L 4.0621 7.4864 114.4405 53.8218 42.0407 175.0168 62 P 4.2554 0.0000 0.0000 63.0865 31.4249 177.2141 63 A 4.2624 8.3749 120.2105 53.5992 18.2435 179.6376 64 W 4.3254 7.8185 114.9517 59.0295 28.6158 178.5210 65 K 2.4800 6.5604 120.3560 58.1619 31.0009 178.4661 66 Q 2.7550 6.9231 117.4962 58.9035 28.2775 178.8682 67 V 3.1392 6.9187 119.1263 65.2616 31.1513 177.2070 68 N 4.2302 8.7111 117.4250 56.9801 38.5246 176.7202 69 L 3.9997 7.4290 119.4092 57.6831 41.7501 179.1177 70 K 3.9387 7.6211 117.5521 59.9772 31.8913 179.4469 71 K 3.8604 8.0018 116.5623 59.3884 31.9777 179.0325 72 A 4.1574 7.5243 120.2626 54.6062 18.3841 178.9243 73 K 4.2144 8.2640 117.3848 57.0396 32.6174 177.5406 74 G 4.1391 8.6650 106.1650 44.9798 0.0000 174.5558 75 L 4.0384 7.3795 119.3616 56.1961 42.0413 177.1137 76 F 4.0611 8.7496 124.6702 58.5100 38.8427 175.6116 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 10 M 8.30 4.49 0.00 2.03 2.20 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 2.51 2.58 0.00 11 L 7.83 4.05 0.00 1.72 1.72 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.87 4.25 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.72 4.65 0.00 1.72 1.70 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.42 7.81 14 L 8.22 4.43 0.00 1.64 1.60 0.93 0.82 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 15 C 8.33 4.63 0.00 2.87 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 16 K 8.58 4.72 0.00 1.78 1.71 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.40 7.81 17 T 8.11 4.65 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 18 I 8.37 4.48 1.93 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 1.45 0.65 1.08 0.00 0.00 19 Y 8.36 4.80 0.00 2.47 2.54 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 0.00 20 P 0.00 4.35 0.00 2.17 2.19 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 21 L 9.28 4.13 0.00 2.05 2.27 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.91 3.97 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 23 D 8.08 4.56 0.00 2.89 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 24 L 7.80 4.34 0.00 2.08 1.80 1.25 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.08 4.55 0.00 1.84 1.69 1.04 1.26 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 26 A 9.63 3.97 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 27 R 8.15 4.62 0.00 1.71 1.89 0.00 3.47 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 28 P 0.00 4.72 0.00 2.06 1.98 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 29 L 8.56 4.99 0.00 1.70 1.67 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.59 0.00 2.16 1.96 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.41 0.00 31 E 8.90 4.29 0.00 2.04 2.01 0.00 0.00 0.00 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 2.32 0.00 32 G 8.47 4.44 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 0.00 33 V 7.49 3.59 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 0.80 0.00 0.00 -0.24 0.00 0.00 34 D 8.87 4.77 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.12 2.16 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 36 L 7.67 4.01 0.00 1.79 1.81 0.88 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.23 4.45 0.00 1.82 1.84 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.25 1.28 7.81 38 L 7.35 2.00 0.00 1.53 1.48 0.92 0.62 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 39 E 8.43 2.86 0.00 2.24 2.30 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 2.54 2.48 0.00 40 I 7.43 3.99 1.86 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 1.35 0.19 0.95 0.00 0.00 41 Y 8.05 4.75 0.00 2.68 2.94 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 0.00 0.00 0.00 42 L 7.54 4.97 0.00 1.60 1.89 -0.56 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.65 4.23 4.31 0.00 0.00 0.00 0.00 0.00 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 44 D 8.77 4.90 0.00 2.90 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.32 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 2.42 2.40 0.00 46 D 8.10 4.39 0.00 2.73 2.90 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 0.00 0.00 0.00 47 F 9.56 4.15 0.00 3.30 3.10 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 48 E 9.37 4.05 0.00 2.11 2.03 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 2.40 2.50 0.00 49 F 8.60 4.10 0.00 3.19 3.10 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 50 A 8.42 4.62 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 51 L 7.93 4.64 0.00 2.01 1.54 1.13 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.30 5.15 0.00 2.81 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 M 7.27 4.66 0.00 0.71 1.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 54 T 7.12 3.86 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 1.09 0.00 0.00 55 R 7.99 3.46 0.00 2.11 2.00 0.00 3.47 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 56 D 7.73 4.55 0.00 2.63 2.65 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 57 E 8.53 4.24 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 58 Y 7.64 4.22 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 59 N 7.74 4.30 0.00 2.83 2.91 0.00 0.00 6.84 7.04 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 60 A 7.16 4.47 1.29 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 0.00 0.00 61 L 7.49 4.06 0.00 1.53 1.33 1.01 0.93 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 62 P 0.00 4.26 0.00 1.94 1.96 0.00 3.35 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 63 A 8.37 4.26 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 64 W 7.82 4.33 0.00 3.53 3.32 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 0.00 0.00 0.00 0.00 65 K 6.56 2.48 0.00 1.08 1.22 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.07 0.52 7.81 66 Q 6.92 2.76 0.00 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.57 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 67 V 6.92 3.14 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 0.90 0.00 0.00 0.42 0.00 0.00 68 N 8.71 4.23 0.00 1.61 2.45 0.00 0.00 6.99 6.68 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 69 L 7.43 4.00 0.00 1.96 1.84 0.94 0.80 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 K 7.62 3.94 0.00 1.93 2.15 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.77 1.73 7.81 71 K 8.00 3.86 0.00 1.80 1.95 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.53 7.81 72 A 7.52 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 73 K 8.26 4.21 0.00 1.88 1.90 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 74 G 8.67 4.14 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 0.00 0.00 0.00 75 L 7.38 4.04 0.00 1.81 1.72 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.75 4.06 0.00 2.96 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