NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6358 8.1476 120.2772 55.2500 34.3079 173.8660 2 I 4.7508 8.6362 117.3480 58.3402 40.5100 169.1781 3 V 5.7150 9.9722 128.4280 59.8886 35.9333 175.4983 4 F 4.8762 9.2007 125.4525 57.1698 40.5018 174.7229 5 V 4.3821 9.6264 125.6571 60.7566 32.8748 175.0620 6 R 5.1782 8.5806 125.3643 54.3777 32.5143 175.4709 7 F 5.5988 8.5083 124.6247 55.3568 41.4186 175.8797 8 N 4.6723 6.9079 122.1539 52.4254 35.2227 173.1663 9 S 4.6643 7.4767 113.6380 57.7571 65.9717 176.6762 10 S 4.5663 8.6154 120.7810 57.1883 60.6446 173.0468 11 H 4.5645 7.9274 119.6898 55.3030 32.3744 172.4191 12 G 4.5481 8.7265 115.7210 43.5528 0.0000 170.9257 13 F 4.8556 9.3323 125.3809 55.0032 42.4442 172.4016 14 P 3.4272 0.0000 0.0000 62.3305 31.5760 175.7576 15 V 4.3013 8.5425 124.7729 59.3196 33.9520 175.4950 16 E 4.6594 8.3202 127.0355 52.8280 27.0417 175.0595 17 V 4.9972 7.3961 120.5695 60.7931 34.0002 172.7016 18 D 4.3280 8.7955 122.3340 53.8104 39.7399 176.2246 19 S 4.3904 8.6531 119.2872 59.5974 63.1317 175.0174 20 D 4.5712 7.8634 118.7377 54.4731 40.0573 175.9764 21 T 3.9961 8.1965 113.9655 62.0852 68.4274 172.6321 22 S 3.8313 7.8811 118.5071 54.6645 66.0179 174.5939 23 I 3.5124 8.6151 127.8307 64.6009 37.6334 178.0218 24 F 4.0799 8.0094 118.0608 60.6206 38.8253 177.6575 25 Q 4.0470 8.1425 117.3155 58.8321 28.6703 178.3580 26 L 4.4643 8.4342 122.5215 58.7257 40.3797 179.3864 27 K 3.9660 7.9998 119.8582 58.8473 31.8583 178.9839 28 E 3.9779 8.2506 118.7695 59.3395 29.4480 179.2388 29 V 3.6283 8.0175 118.1628 66.8697 31.6635 177.8458 30 V 3.6612 8.0332 118.6732 64.8063 31.0609 177.6775 31 A 4.2091 8.5982 121.8014 54.0821 18.2111 179.7530 32 K 3.8780 8.1917 117.7412 59.7792 32.5574 178.8269 33 R 4.1899 7.6656 114.8858 57.0707 30.4299 177.5585 34 Q 4.1453 8.4738 119.1570 55.6870 29.4453 175.1643 35 G 3.7670 8.2613 106.1807 47.2932 0.0000 173.2823 36 V 4.5999 7.4986 112.1062 58.9982 36.2983 174.7056 37 P 4.5631 0.0000 0.0000 63.2655 30.5794 174.0345 38 A 4.5449 8.1967 115.8350 52.8727 21.0265 177.0999 39 D 4.9059 7.6482 112.7096 52.6781 39.9834 177.4077 40 Q 4.0434 8.1922 120.6088 59.9255 29.9491 177.6283 41 L 4.5386 7.4318 127.9469 55.2530 42.0069 176.0074 42 R 4.7541 8.7387 114.6814 54.1612 34.2477 174.7308 43 V 4.8828 8.3372 121.4286 61.4070 35.0365 174.1523 44 I 5.1748 8.7861 125.4859 59.8329 42.0240 173.7522 45 F 5.2019 9.1942 124.7028 56.9460 43.4851 174.8456 46 A 3.3258 7.4047 123.5522 52.9437 16.0617 178.4496 47 G 3.9059 8.1528 113.5054 46.5119 0.0000 174.4375 48 K 4.4839 8.5928 121.4159 55.1611 33.4577 175.9136 49 E 4.2659 9.4214 125.7971 56.6928 30.1059 178.1189 50 L 3.6883 7.6931 125.7398 55.9837 37.7520 173.9264 51 R 4.6054 8.1585 124.9852 54.7193 32.3395 175.3651 52 N 4.2979 9.2281 124.5333 56.5579 38.7785 174.8793 53 D 4.9543 8.1297 112.9630 53.6728 43.1538 176.4329 54 W 4.5587 8.3801 127.3621 58.2591 31.5048 176.5597 55 T 4.6154 7.8426 113.5437 64.5494 70.7619 176.9144 56 V 4.9532 7.1622 119.1859 60.7423 30.7667 178.9231 57 Q 3.8929 8.6889 125.3490 59.7258 28.6425 176.6658 58 N 4.3806 8.0197 114.4347 55.5062 38.5836 174.4222 59 C 4.1403 6.8083 118.8436 59.9784 32.1833 173.1253 60 D 4.6339 7.2101 116.6374 53.5613 42.8240 174.7569 61 L 4.7179 7.8469 121.2881 52.3365 44.9520 175.2248 62 D 5.0003 8.1203 119.8539 52.0155 44.3427 175.6700 63 Q 4.1807 8.7110 118.7240 58.4004 29.6638 176.2025 64 Q 5.7347 8.3807 117.6148 53.5426 28.7739 175.3508 65 S 4.9895 8.3339 122.4479 57.3153 65.9185 172.9381 66 I 5.0508 8.4697 112.9877 59.2345 40.1779 174.1989 67 V 5.0207 8.7750 126.6500 61.2740 34.6684 173.8827 68 H 4.8994 9.1462 128.0180 55.3200 30.6857 173.5510 69 I 4.6451 8.7913 128.0261 59.3328 39.3612 176.0094 70 V 4.3401 7.9437 124.9860 61.4282 30.3752 174.3808 71 Q 4.6756 7.6075 121.6623 54.6397 30.9140 177.1337 72 R 4.2346 8.4064 120.8391 55.6525 30.2778 175.7319 73 P 4.2724 0.0000 0.0000 62.3343 31.9360 175.6241 74 W 4.5202 7.5981 116.7605 55.7017 29.2444 176.2059 75 R 4.4033 8.3641 120.8382 54.0954 30.1838 176.2947 76 K 4.1776 8.7173 121.5534 56.7952 32.0034 177.2615 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 8.15 4.64 0.00 2.02 2.23 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 2.58 2.68 0.00 2 I 8.64 4.75 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.16 0.93 0.00 0.00 3 V 9.97 5.71 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 1.10 0.00 0.00 0.94 0.00 0.00 4 F 9.20 4.88 0.00 3.05 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 9.63 4.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.06 0.00 0.00 6 R 8.58 5.18 0.00 1.97 1.79 0.00 3.38 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 7 F 8.51 5.60 0.00 3.48 3.08 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 0.00 0.00 0.00 8 N 6.91 4.67 0.00 2.35 2.43 0.00 0.00 6.68 7.59 0.00 0.00 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 S 7.48 4.66 0.00 4.04 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 10 S 8.62 4.57 0.00 3.98 3.90 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 11 H 7.93 4.56 0.00 3.25 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.73 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.33 4.86 0.00 3.09 2.87 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 0.00 0.00 0.00 14 P 0.00 3.43 0.00 1.29 0.49 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.32 0.00 15 V 8.54 4.30 2.14 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 0.80 0.00 0.00 1.00 0.00 0.00 16 E 8.32 4.66 0.00 1.96 1.91 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 2.23 2.45 0.00 17 V 7.40 5.00 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 0.68 0.00 0.00 0.94 0.00 0.00 18 D 8.80 4.33 0.00 2.74 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 19 S 8.65 4.39 0.00 3.93 3.93 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 0.00 0.00 0.00 20 D 7.86 4.57 0.00 2.92 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 21 T 8.20 4.00 4.39 0.00 0.00 0.00 0.00 0.00 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 22 S 7.88 3.83 0.00 4.27 3.74 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 23 I 8.62 3.51 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.11 0.72 0.00 0.00 24 F 8.01 4.08 0.00 3.15 3.03 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 25 Q 8.14 4.05 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 26 L 8.43 4.46 0.00 1.99 2.04 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.00 3.97 0.00 2.05 2.13 0.00 1.65 0.00 0.00 1.51 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 28 E 8.25 3.98 0.00 2.39 2.04 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 0.00 2.44 2.56 0.00 29 V 8.02 3.63 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 1.17 0.00 0.00 0.95 0.00 0.00 30 V 8.03 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 0.96 0.00 0.00 1.04 0.00 0.00 31 A 8.60 4.21 1.58 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 0.00 0.00 32 K 8.19 3.88 0.00 1.88 2.04 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 33 R 7.67 4.19 0.00 1.82 1.87 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 34 Q 8.47 4.15 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.90 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 35 G 8.26 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 4.60 2.38 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 1.03 0.00 0.00 1.18 0.00 0.00 37 P 0.00 4.56 0.00 2.21 2.07 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.01 0.00 38 A 8.20 4.54 1.31 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 0.00 0.00 0.00 39 D 7.65 4.91 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.04 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 41 L 7.43 4.54 0.00 1.71 1.55 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.74 4.75 0.00 1.73 1.73 0.00 3.11 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 43 V 8.34 4.88 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 1.03 0.00 0.00 0.95 0.00 0.00 44 I 8.79 5.17 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.62 1.02 0.00 0.00 45 F 9.19 5.20 0.00 3.09 2.87 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 0.00 0.00 0.00 46 A 7.40 3.33 0.27 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 0.00 0.00 47 G 8.15 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 48 K 8.59 4.48 0.00 2.11 2.00 0.00 1.24 0.00 0.00 1.23 0.00 0.00 2.73 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.57 1.48 7.81 49 E 9.42 4.27 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 2.32 2.33 0.00 50 L 7.69 3.69 0.00 1.86 1.95 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.16 4.61 0.00 2.27 2.20 0.00 3.41 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 52 N 9.23 4.30 0.00 2.76 2.93 0.00 0.00 7.08 8.53 0.00 0.00 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 D 8.13 4.95 0.00 2.72 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 54 W 8.38 4.56 0.00 3.23 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 55 T 7.84 4.62 4.69 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 1.54 0.00 0.00 56 V 7.16 4.95 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 1.15 0.00 0.00 1.08 0.00 0.00 57 Q 8.69 3.89 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 58 N 8.02 4.38 0.00 2.72 2.94 0.00 0.00 6.93 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 59 C 6.81 4.14 0.00 2.96 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 60 D 7.21 4.63 0.00 2.53 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 61 L 7.85 4.72 0.00 1.61 1.43 0.23 0.64 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 62 D 8.12 5.00 0.00 2.59 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 63 Q 8.71 4.18 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 64 Q 8.38 5.73 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 65 S 8.33 4.99 0.00 3.81 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 66 I 8.47 5.05 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.74 0.00 0.00 67 V 8.78 5.02 2.23 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 1.29 0.00 0.00 0.95 0.00 0.00 68 H 9.15 4.90 0.00 3.33 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.79 4.65 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.42 0.97 0.00 0.00 70 V 7.94 4.34 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 0.72 0.00 0.00 0.83 0.00 0.00 71 Q 7.61 4.68 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 72 R 8.41 4.23 0.00 1.79 1.96 0.00 3.20 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 73 P 0.00 4.27 0.00 1.83 1.87 0.00 3.84 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 74 W 7.60 4.52 0.00 3.36 3.35 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 75 R 8.36 4.40 0.00 1.81 1.93 0.00 3.21 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 76 K 8.72 4.18 0.00 1.79 1.78 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.61 7.81