NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3966 8.1593 112.9376 60.6498 69.3399 172.8985 2 W 4.7596 8.1664 123.6818 54.1247 30.2521 174.0587 3 L 4.4551 6.1376 120.3355 51.8337 42.1373 174.7547 4 P 4.2556 0.0000 0.0000 64.8151 31.8286 177.2846 5 T 4.6670 7.3415 105.8283 59.7053 71.8322 172.9804 6 L 4.3819 8.1383 119.5846 54.7899 42.9561 177.0775 7 V 3.6419 7.6998 117.9931 63.3868 31.0884 174.8837 8 T 4.7968 8.2977 123.4428 61.4513 71.2095 174.8172 9 A 4.3051 8.8570 127.2371 55.0643 18.9438 178.7363 10 T 4.3228 7.4972 104.4094 58.3582 73.0309 172.7697 11 P 2.9700 0.0000 0.0000 65.4705 31.3522 178.5785 12 Q 3.8660 7.6530 117.4397 59.1460 29.0176 177.9436 13 E 4.0985 8.0401 119.3684 59.1929 29.5014 179.2291 14 G 4.1585 8.1309 106.1132 48.2629 0.0000 175.3963 15 F 4.1326 8.4921 123.2975 60.9153 39.3735 176.9088 16 D 4.4577 8.2047 118.1886 57.4224 40.6923 178.4674 17 L 4.0334 8.6493 120.9564 58.2252 41.9232 178.9056 18 A 4.0961 8.2474 120.6064 54.7605 18.4087 179.7001 19 V 3.5429 7.8975 117.2299 65.5707 31.5397 178.1431 20 K 3.9289 8.1037 119.7052 59.4580 32.2218 178.5012 21 L 4.0513 8.0175 119.1345 58.1275 41.6325 179.6752 22 S 4.2475 7.6553 114.8178 61.8888 62.7615 177.1880 23 R 3.9602 7.7309 119.9624 59.2995 29.8462 179.2319 24 I 2.9747 8.1444 112.9624 63.8451 37.2112 177.9300 25 A 3.8968 7.5501 121.2367 54.8932 18.0477 179.8647 26 V 3.4185 8.5343 117.9028 66.1193 31.8140 178.2493 27 K 3.8300 7.9110 118.7868 59.3143 31.7107 178.6138 28 K 3.9746 8.0474 118.7609 59.1444 32.2185 178.9345 29 T 4.3060 7.7507 108.6684 62.7524 70.0813 174.9137 30 Q 4.3921 7.8890 122.2377 53.6198 29.0776 172.3777 31 P 4.8777 0.0000 0.0000 63.0500 32.3949 177.5940 32 D 4.4516 8.0710 119.1979 53.5276 39.2192 175.9457 33 A 4.0706 8.4271 128.6385 54.6063 18.1964 178.8329 34 Q 3.9088 8.3991 118.4734 59.5421 29.1175 178.7149 35 V 3.7056 7.8409 112.9403 64.3161 31.4756 178.7771 36 R 3.9931 7.9958 117.2736 58.9605 29.7365 178.5735 37 D 4.3784 7.7627 118.8498 57.5278 40.6653 178.8316 38 T 3.9249 7.5068 115.2742 66.2948 68.6315 176.4490 39 L 4.2638 8.3533 121.3919 57.1637 41.7729 178.8469 40 R 3.9504 8.2018 118.8201 59.8126 29.7830 178.2324 41 A 4.1230 7.3945 119.9778 54.6109 18.5537 178.7611 42 V 3.8236 7.9761 117.7204 65.3868 31.6526 177.4692 43 Y 4.2584 7.9722 117.2770 60.1409 37.8860 178.2040 44 E 3.6166 7.7229 119.6921 57.9116 29.0653 178.2444 45 K 4.4151 7.5256 117.2149 56.2295 33.1670 175.5070 46 D 4.8409 8.0634 119.0381 52.5816 43.4606 175.7179 47 A 3.9716 8.5574 129.0416 55.3571 18.6636 178.5897 48 N 4.2266 8.3492 114.3090 56.6595 38.5829 177.0810 49 A 4.0413 8.2513 121.7501 55.4573 18.5035 179.7547 50 L 4.0767 8.1136 117.3365 57.7677 41.6641 179.7931 51 I 3.6991 8.0294 119.6720 64.5145 36.9421 178.4223 52 A 4.0717 8.3262 120.1903 54.7906 18.3547 179.7261 53 V 3.6183 8.0190 117.4958 66.3887 31.7495 178.2395 54 S 4.1702 8.2493 112.4636 61.0296 62.0826 176.0265 55 A 3.9859 7.9663 123.7856 55.2072 18.1821 179.7432 56 V 3.5535 7.7075 117.0437 66.0523 31.4943 178.6397 57 V 3.6434 7.9962 119.6497 63.9477 31.3432 177.6619 58 A 4.2458 7.9838 121.5734 55.5521 18.0609 179.6303 59 T 3.8139 7.8487 113.4714 67.1935 68.5961 176.5621 60 H 4.1665 8.1830 117.8880 58.9950 28.7036 177.6709 61 F 4.2747 9.0815 123.3730 61.2549 39.0091 176.9280 62 Q 3.9132 8.1596 119.4188 59.3306 28.8586 178.3628 63 T 3.7279 7.5785 116.4862 66.7622 68.7123 176.5684 64 I 3.5364 7.8434 120.1735 63.9130 37.8307 177.7636 65 A 2.9708 7.7583 121.7028 54.6764 18.1443 179.5098 66 A 2.8014 7.2597 118.6747 54.6335 18.1476 179.4471 67 A 3.7782 7.3873 118.4952 54.9597 18.5104 178.7118 68 N 4.3154 7.0455 112.4435 51.8943 38.5026 174.9811 69 D 4.0429 7.9551 117.2188 55.2061 40.2631 174.0217 70 Y 3.4676 6.9304 111.6740 56.4806 36.2434 169.5244 71 W 3.9513 7.8062 125.6029 57.2862 29.7212 173.9571 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 T 8.16 4.40 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 2 W 8.17 4.76 0.00 3.65 3.23 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 0.00 3 L 6.14 4.46 0.00 0.27 0.15 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.26 0.00 2.16 2.10 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 5 T 7.34 4.67 4.32 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 1.17 0.00 0.00 6 L 8.14 4.38 0.00 1.57 1.69 0.86 0.84 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 7 V 7.70 3.64 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 0.80 0.00 0.00 0.88 0.00 0.00 8 T 8.30 4.80 4.58 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 1.54 0.00 0.00 9 A 8.86 4.31 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 10 T 7.50 4.32 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 1.15 0.00 0.00 11 P 0.00 2.97 0.00 1.90 1.99 0.00 3.21 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 12 Q 7.65 3.87 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 13 E 8.04 4.10 0.00 2.25 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 2.33 2.29 0.00 14 G 8.13 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 15 F 8.49 4.13 0.00 2.90 3.04 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 0.00 0.00 0.00 16 D 8.20 4.46 0.00 3.01 2.77 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 17 L 8.65 4.03 0.00 1.88 2.02 1.00 1.13 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 18 A 8.25 4.10 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 19 V 7.90 3.54 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 1.02 0.00 0.00 1.02 0.00 0.00 20 K 8.10 3.93 0.00 2.05 2.03 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.54 7.81 21 L 8.02 4.05 0.00 1.45 1.46 0.95 0.91 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 22 S 7.66 4.25 0.00 3.99 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 23 R 7.73 3.96 0.00 1.95 1.93 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 24 I 8.14 2.97 1.27 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 0.94 0.77 0.85 0.00 0.00 25 A 7.55 3.90 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 26 V 8.53 3.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.83 0.00 0.00 27 K 7.91 3.83 0.00 1.75 1.77 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 28 K 8.05 3.97 0.00 1.71 1.78 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.32 1.28 7.81 29 T 7.75 4.31 4.22 0.00 0.00 0.00 0.00 0.00 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 30 Q 7.89 4.39 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 31 P 0.00 4.88 0.00 2.19 2.11 0.00 3.40 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 32 D 8.07 4.45 0.00 2.75 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.07 1.32 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 0.00 0.00 34 Q 8.40 3.91 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 35 V 7.84 3.71 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 0.80 0.00 0.00 1.03 0.00 0.00 36 R 8.00 3.99 0.00 2.02 2.01 0.00 3.10 0.00 0.00 3.48 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 37 D 7.76 4.38 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.51 3.92 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 1.22 0.00 0.00 39 L 8.35 4.26 0.00 1.75 1.80 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.20 3.95 0.00 2.09 2.15 0.00 2.48 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 41 A 7.39 4.12 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 42 V 7.98 3.82 2.28 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 1.09 0.00 0.00 1.03 0.00 0.00 43 Y 7.97 4.26 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.72 3.62 0.00 1.93 1.71 0.00 0.00 0.00 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 2.17 0.00 45 K 7.53 4.42 0.00 1.87 1.85 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.32 7.81 46 D 8.06 4.84 0.00 2.72 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 47 A 8.56 3.97 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 48 N 8.35 4.23 0.00 2.99 2.92 0.00 0.00 6.93 7.28 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 49 A 8.25 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.08 0.00 1.94 1.79 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.03 3.70 2.06 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 1.48 1.01 0.93 0.00 0.00 52 A 8.33 4.07 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 53 V 8.02 3.62 2.34 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 1.02 0.00 0.00 0.89 0.00 0.00 54 S 8.25 4.17 0.00 4.00 4.04 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 0.00 0.00 0.00 55 A 7.97 3.99 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 56 V 7.71 3.55 2.18 0.00 0.00 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 0.00 0.00 0.99 0.00 0.00 57 V 8.00 3.64 1.90 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 0.98 0.00 0.00 0.27 0.00 0.00 58 A 7.98 4.25 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 3.81 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 1.18 0.00 0.00 60 H 8.18 4.17 0.00 3.33 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 9.08 4.27 0.00 2.92 3.26 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 0.00 62 Q 8.16 3.91 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 63 T 7.58 3.73 4.33 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 1.17 0.00 0.00 64 I 7.84 3.54 1.88 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 1.04 0.00 0.00 65 A 7.76 2.97 0.92 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 0.00 0.00 66 A 7.26 2.80 1.16 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 67 A 7.39 3.78 1.16 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 68 N 7.05 4.32 0.00 1.44 1.67 0.00 0.00 6.75 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 69 D 7.96 4.04 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.93 3.47 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 7.81 3.95 0.00 3.66 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