NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9129 8.3549 109.7384 45.7341 0.0000 173.7190 2 S 4.4016 8.4853 123.3618 55.8609 62.4686 172.2585 3 K 4.5857 8.8434 125.5549 55.2008 36.0817 174.9512 4 T 4.8791 8.1552 119.0272 62.4273 70.3895 174.0736 5 I 4.6340 8.9016 129.2032 60.1534 38.9176 175.0309 6 F 4.4896 9.3469 127.6815 55.9025 40.5960 175.3551 7 V 4.6605 8.5362 125.4604 61.4619 33.1173 174.3188 8 I 4.7846 8.6624 129.7625 59.7721 39.7525 175.4952 9 V 4.6717 8.3326 125.6692 60.1384 32.8849 173.1393 10 P 4.8637 0.0000 0.0000 62.4111 32.8044 176.7124 11 T 4.8173 8.5040 111.2372 60.4223 69.5869 173.3977 12 N 4.3549 7.7951 117.6679 52.5432 42.8585 174.0643 13 E 3.9769 8.4271 122.5147 59.5543 29.3523 178.9738 14 E 3.9498 8.1383 119.5502 59.2582 29.7646 178.6797 15 Q 4.0696 8.0489 117.5543 58.9235 28.9045 178.7499 16 V 3.6552 8.1189 119.0393 66.1438 31.6593 177.7966 17 A 4.1143 8.6240 120.8449 55.1894 18.1567 179.4743 18 F 4.0583 8.5768 119.0599 61.4456 39.6038 177.4656 19 L 4.3687 8.6718 119.3338 57.9829 41.2978 179.4269 20 E 3.8512 8.7335 116.4906 58.9667 29.9090 178.8556 21 A 4.0501 8.0526 122.1764 54.9805 18.4850 179.6429 22 L 3.9178 7.8904 118.1181 58.7942 40.2114 179.0917 23 A 4.1489 7.6279 120.4896 55.0846 18.0724 179.4747 24 K 4.2087 7.6084 115.5732 58.2821 32.4248 176.6980 25 Q 3.9559 8.1543 118.6820 56.2149 28.0219 176.6411 26 D 4.3776 8.4265 123.7732 56.0645 41.7060 178.1155 27 E 3.9495 7.8733 116.0095 58.9554 29.9917 178.3416 28 L 3.1161 7.2584 119.5945 56.7266 41.4642 177.7236 29 N 4.0970 7.1676 113.1112 54.5152 37.6139 174.1541 30 F 4.9316 7.8383 115.3465 56.7749 40.5763 174.7646 31 D 5.0023 8.3644 120.6600 52.6826 42.5379 175.2834 32 W 4.6895 9.0031 123.1180 56.6983 29.6223 176.4049 33 Q 4.5551 9.0455 123.6721 57.5681 29.4884 176.0880 34 N 5.1261 8.1106 114.4844 49.8299 40.5536 171.5774 35 P 4.5513 0.0000 0.0000 62.1138 31.7041 175.9617 36 P 4.8000 0.0000 0.0000 62.7165 28.9484 175.2813 37 T 4.3977 7.8720 120.2235 65.1598 71.6150 174.4289 38 E 4.3312 8.0620 121.9731 54.4017 29.9378 174.0121 39 P 4.3609 0.0000 0.0000 63.9784 31.9368 176.8524 40 G 3.9552 9.0519 111.2407 45.0602 0.0000 173.0090 41 Q 4.2659 7.3336 121.0934 54.1316 29.8654 173.4870 42 P 4.4397 0.0000 0.0000 62.9775 31.5787 175.6182 43 V 4.7013 9.0048 127.3910 61.6671 32.7506 174.8331 44 V 4.5334 8.5761 128.2967 61.9680 33.7172 174.8509 45 I 4.6322 8.4532 127.7514 59.7273 41.1283 174.5454 46 L 4.7106 9.0162 129.7280 54.1253 42.0017 176.1945 47 I 4.7159 8.3238 118.2693 57.8176 40.8068 173.9126 48 P 4.4718 0.0000 0.0000 62.4108 31.9298 177.5305 49 S 4.2276 8.5456 113.7372 60.8728 63.0172 174.6057 50 D 4.7729 8.0127 119.4910 54.9121 41.0474 176.3031 51 M 4.9468 8.2611 117.2039 54.2830 34.4207 177.6388 52 V 3.4198 7.8788 114.6490 64.3433 31.7638 178.1643 53 E 4.0604 8.2154 118.0266 58.9534 29.3530 178.9694 54 W 4.0875 8.2245 127.9401 60.5969 30.9502 177.6877 55 F 3.6505 8.3438 120.1874 60.9209 38.6489 176.9301 56 L 3.8961 8.1617 118.7627 58.1487 41.5731 179.5484 57 E 4.0080 8.3190 118.1703 59.1478 29.2307 179.2578 58 M 3.7567 7.7621 118.6209 58.6787 32.2941 178.3705 59 L 4.0482 8.3347 119.5535 57.7034 41.6837 179.6952 60 K 4.1241 8.5508 118.4881 59.1820 31.7089 179.1314 61 A 3.9624 7.7669 121.5645 55.1802 18.3336 178.8550 62 K 3.9436 7.3582 112.6076 56.9900 32.6571 176.8947 63 G 3.6413 7.5276 105.9468 46.2599 0.0000 173.5603 64 I 4.4370 7.6806 119.1427 58.6993 39.3278 175.3764 65 P 4.2674 0.0000 0.0000 62.9403 31.9447 175.0021 66 F 5.5302 7.5636 118.8241 55.2975 41.8907 174.3978 67 T 4.2557 8.9336 115.0481 62.1217 72.3811 173.5307 68 V 3.7141 7.8666 127.1002 61.8401 32.4540 174.6171 69 Y 5.0535 8.9435 125.3145 56.4221 41.6464 174.9074 70 V 4.9851 8.1713 118.8960 59.9847 34.7373 173.2219 71 E 4.0032 9.0210 123.6582 56.2904 29.9266 176.6311 72 E 4.1496 8.8247 124.0151 56.7785 29.4106 177.0361 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 G 8.35 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.49 4.40 0.00 3.94 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 3 K 8.84 4.59 0.00 1.73 1.73 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.47 7.81 4 T 8.16 4.88 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 5 I 8.90 4.63 2.00 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 1.24 0.69 0.96 0.00 0.00 6 F 9.35 4.49 0.00 2.52 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.66 2.26 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 1.11 0.00 0.00 1.12 0.00 0.00 8 I 8.66 4.78 1.95 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 1.07 0.00 0.00 9 V 8.33 4.67 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 0.83 0.00 0.00 0.97 0.00 0.00 10 P 0.00 4.86 0.00 2.23 2.28 0.00 3.95 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 11 T 8.50 4.82 4.25 0.00 0.00 0.00 0.00 0.00 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 12 N 7.80 4.35 0.00 2.81 2.66 0.00 0.00 6.84 7.67 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 13 E 8.43 3.98 0.00 2.26 2.24 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 2.39 2.41 0.00 14 E 8.14 3.95 0.00 2.13 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 2.38 2.49 0.00 15 Q 8.05 4.07 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 16 V 8.12 3.66 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 1.05 0.00 0.00 1.06 0.00 0.00 17 A 8.62 4.11 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.58 4.06 0.00 3.23 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.67 4.37 0.00 2.14 2.12 1.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.73 3.85 0.00 1.98 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 2.54 2.29 0.00 21 A 8.05 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 3.92 0.00 1.96 1.70 1.42 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.63 4.15 0.12 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 0.00 0.00 24 K 7.61 4.21 0.00 1.76 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.66 7.81 25 Q 8.15 3.96 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 26 D 8.43 4.38 0.00 2.61 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 27 E 7.87 3.95 0.00 1.92 1.93 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 2.09 2.02 0.00 28 L 7.26 3.12 0.00 0.99 0.13 0.99 0.10 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 29 N 7.17 4.10 0.00 2.81 2.75 0.00 0.00 7.32 6.90 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 30 F 7.84 4.93 0.00 3.20 2.83 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 31 D 8.36 5.00 0.00 2.77 2.64 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 0.00 32 W 9.00 4.69 0.00 3.21 3.27 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 0.00 0.00 0.00 0.00 33 Q 9.05 4.56 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 34 N 8.11 5.13 0.00 2.97 2.92 0.00 0.00 6.05 8.02 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 35 P 0.00 4.55 0.00 2.20 2.12 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 36 P 0.00 4.80 0.00 2.32 2.47 0.00 3.52 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 37 T 7.87 4.40 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 1.22 0.00 0.00 38 E 8.06 4.33 0.00 2.11 1.92 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 2.40 2.37 0.00 39 P 0.00 4.36 0.00 2.21 2.10 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 40 G 9.05 3.96 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 0.00 0.00 0.00 41 Q 7.33 4.27 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 42 P 0.00 4.44 0.00 2.15 2.13 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 43 V 9.00 4.70 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 1.65 0.00 0.00 1.18 0.00 0.00 44 V 8.58 4.53 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 1.01 0.00 0.00 0.94 0.00 0.00 45 I 8.45 4.63 1.36 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.05 0.10 0.00 0.00 46 L 9.02 4.71 0.00 1.63 1.64 0.92 0.52 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 47 I 8.32 4.72 1.14 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 -0.50 0.00 0.00 48 P 0.00 4.47 0.00 2.29 2.27 0.00 3.92 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 49 S 8.55 4.23 0.00 4.04 4.09 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 50 D 8.01 4.77 0.00 2.71 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 51 M 8.26 4.95 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.69 0.00 52 V 7.88 3.42 2.33 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 1.12 0.00 0.00 1.06 0.00 0.00 53 E 8.22 4.06 0.00 2.11 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 2.48 2.44 0.00 54 W 8.22 4.09 0.00 3.40 3.37 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 0.00 0.00 0.00 0.00 55 F 8.34 3.65 0.00 3.00 2.07 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 56 L 8.16 3.90 0.00 2.12 1.82 1.14 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.32 4.01 0.00 1.95 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 2.35 2.53 0.00 58 M 7.76 3.76 0.00 1.62 0.94 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.68 0.00 59 L 8.33 4.05 0.00 1.57 2.01 0.37 1.18 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 60 K 8.55 4.12 0.00 1.96 1.92 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.97 7.81 61 A 7.77 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 62 K 7.36 3.94 0.00 1.58 1.57 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.12 0.21 7.81 63 G 7.53 3.64 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 0.00 0.00 0.00 0.00 64 I 7.68 4.44 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 1.08 0.00 0.00 65 P 0.00 4.27 0.00 2.05 2.14 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 66 F 7.56 5.53 0.00 2.90 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 67 T 8.93 4.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 68 V 7.87 3.71 1.69 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 0.58 0.00 0.00 -0.23 0.00 0.00 69 Y 8.94 5.05 0.00 2.82 2.73 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 70 V 8.17 4.99 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 0.78 0.00 0.00 1.02 0.00 0.00 71 E 9.02 4.00 0.00 2.02 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 2.31 2.43 0.00 72 E 8.82 4.15 0.00 2.10 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 2.28 2.39 0.00