NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5051 8.2893 120.3260 55.8088 33.6419 173.7285 2 E 4.3283 7.9571 115.1196 55.6272 31.3451 172.7482 3 L 3.9740 8.4822 120.4432 54.7481 42.4050 176.2656 4 P 4.3411 0.0000 0.0000 63.0263 31.7334 177.4556 5 I 4.0625 8.2880 113.8956 62.5120 38.0340 178.1942 6 A 3.9149 7.7893 123.0562 54.7802 18.4808 177.2089 7 P 4.1918 0.0000 0.0000 66.0093 31.4578 178.8096 8 I 3.8001 7.4136 117.3025 64.4293 37.0032 178.8179 9 G 3.9332 8.5713 106.5110 47.1630 0.0000 175.1842 10 R 4.0955 7.7211 120.0813 58.3626 30.3563 178.2830 11 I 3.6882 7.6341 119.9045 64.5840 37.2413 178.3836 12 I 3.7489 8.3223 120.7904 64.3619 36.9076 178.7433 13 K 4.2592 8.2409 121.0286 58.9403 31.6132 178.8373 14 D 4.3343 8.0554 117.6716 56.9743 41.1289 177.8867 15 A 4.2468 7.8079 120.7390 55.9224 18.4838 177.2819 16 G 3.2176 7.2326 107.3341 45.0568 0.0000 173.5392 17 A 4.1279 7.8306 124.4833 52.2009 19.0303 177.7735 18 E 4.3175 8.7836 119.1110 57.0384 31.5751 176.3925 19 R 4.4702 7.7938 119.3062 54.3483 32.0564 174.1633 20 V 4.4332 8.1552 124.6283 60.0041 34.7212 175.8722 21 S 4.3874 8.4816 121.9149 58.2515 65.0399 175.0506 22 D 4.4702 8.5545 122.4913 56.1817 39.2907 178.2169 23 D 4.3724 8.0448 120.2465 56.8828 41.1327 178.1513 24 A 4.0196 8.5837 121.7927 55.2432 18.3589 179.9355 25 R 3.8791 7.8595 116.4378 59.3323 30.1586 179.0389 26 I 3.9351 7.8654 118.3712 63.8860 37.9759 178.0367 27 T 3.8463 7.9369 116.8065 66.4805 68.2224 176.2987 28 L 3.8959 7.8735 121.8138 58.1044 42.0285 178.8457 29 A 3.9095 8.2678 121.1149 55.1430 18.3472 179.4799 30 K 3.9673 8.5877 118.1844 59.7960 32.2258 178.0316 31 I 3.7855 8.5538 121.3183 64.1632 36.8735 177.9382 32 L 4.1749 9.3036 121.9383 57.5799 41.6629 179.7970 33 E 3.9551 8.3999 118.0336 59.5527 30.0140 179.0224 34 E 3.5767 8.1566 119.8930 58.7053 29.3553 179.1448 35 M 4.2538 8.6296 119.3264 58.4603 32.2703 178.5068 36 G 3.4792 8.4214 106.2803 47.8464 0.0000 175.7098 37 R 3.8750 8.7068 122.0031 58.6193 29.9138 178.4370 38 D 4.2134 7.7212 118.5117 57.2956 40.9454 178.5916 39 I 2.9900 7.7570 120.2041 63.9497 37.0592 178.3526 40 A 3.9485 8.0658 122.0523 55.3078 18.3051 179.9379 41 S 4.0970 7.9054 112.3573 61.3453 62.7940 176.4711 42 E 3.8408 8.0013 122.1674 59.3113 29.3396 178.7948 43 A 4.1904 8.4790 119.6379 53.5165 18.3021 178.7052 44 I 3.8310 7.3720 117.7057 63.1723 38.6191 177.5518 45 K 4.0346 7.9376 119.9068 58.8118 31.9334 178.5529 46 L 3.9251 8.3514 119.9566 57.9488 41.6823 178.9742 47 A 4.1281 8.3771 120.3092 54.2841 18.1852 178.7464 48 R 4.3941 8.0329 116.5761 58.0107 30.4180 177.8594 49 H 4.2205 8.2950 115.8904 58.6746 28.6738 177.2764 50 A 4.1255 7.7639 121.8930 55.9663 18.4910 178.5059 51 G 4.0435 8.4225 103.4089 44.8098 0.0000 174.0903 52 R 4.7899 7.2940 117.7872 56.7774 30.7042 173.4625 53 K 4.5644 8.8806 124.4840 56.2752 34.9705 172.6284 54 T 3.4604 8.3157 120.2790 62.4593 68.1889 172.0858 55 I 3.8797 8.0992 124.5782 61.4505 37.8260 176.1619 56 K 4.6706 8.1897 122.3515 53.5747 37.5974 177.4073 57 A 3.9564 8.3732 120.8582 55.7865 18.3582 179.6841 58 E 4.0141 8.0933 115.7008 58.7927 29.6713 179.1307 59 D 4.3272 7.8944 119.3663 57.1194 40.8871 178.3618 60 I 3.6320 7.8452 120.4011 64.5070 37.2870 178.2914 61 E 3.9651 8.6565 119.6712 59.3191 29.2609 179.2459 62 L 3.9439 8.5447 120.4557 58.2435 42.2803 178.9552 63 A 4.0742 7.9028 120.5592 54.5730 18.2892 179.9407 64 V 3.9323 8.1075 118.1456 64.9641 31.9294 178.7261 65 R 4.0443 7.8026 118.0427 58.8617 29.8829 177.1778 66 R 4.0005 8.5464 119.6751 59.1488 29.9440 177.7049 67 F 4.3438 8.8932 118.6115 58.7695 38.8094 176.2919 68 K 3.4655 6.7865 119.4114 55.9518 32.6508 176.3955 69 K 4.0292 7.9609 124.2760 56.8654 32.0931 175.5069 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 8.29 4.51 0.00 2.02 2.09 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 2.50 2.54 0.00 2 E 7.96 4.33 0.00 2.10 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 2.16 2.34 0.00 3 L 8.48 3.97 0.00 1.64 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.34 0.00 2.21 2.19 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 5 I 8.29 4.06 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 1.57 1.17 0.91 0.00 0.00 6 A 7.79 3.91 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 7 P 0.00 4.19 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 8 I 7.41 3.80 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 1.46 0.72 0.91 0.00 0.00 9 G 8.57 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 0.00 0.00 0.00 10 R 7.72 4.10 0.00 1.90 2.08 0.00 3.10 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 11 I 7.63 3.69 2.04 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 1.52 1.07 0.92 0.00 0.00 12 I 8.32 3.75 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 1.68 1.25 0.91 0.00 0.00 13 K 8.24 4.26 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.49 7.81 14 D 8.06 4.33 0.00 2.87 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 15 A 7.81 4.25 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 16 G 7.23 3.22 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 0.00 0.00 0.00 0.00 17 A 7.83 4.13 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 18 E 8.78 4.32 0.00 1.90 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 2.17 2.25 0.00 19 R 7.79 4.47 0.00 1.75 1.76 0.00 3.23 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 20 V 8.16 4.43 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 0.87 0.00 0.00 0.93 0.00 0.00 21 S 8.48 4.39 0.00 4.09 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.47 0.00 2.97 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 23 D 8.04 4.37 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 24 A 8.58 4.02 1.36 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 0.00 0.00 25 R 7.86 3.88 0.00 2.02 1.99 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 26 I 7.87 3.94 2.01 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 1.52 0.87 0.98 0.00 0.00 27 T 7.94 3.85 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 28 L 7.87 3.90 0.00 2.01 1.80 0.93 1.08 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 29 A 8.27 3.91 1.39 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 0.00 0.00 0.00 30 K 8.59 3.97 0.00 2.03 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 31 I 8.55 3.79 2.02 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 1.53 0.55 0.93 0.00 0.00 32 L 9.30 4.17 0.00 1.73 1.74 0.96 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.40 3.96 0.00 2.23 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 0.00 2.31 2.53 0.00 34 E 8.16 3.58 0.00 2.39 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 2.34 2.51 0.00 35 M 8.63 4.25 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.98 0.00 36 G 8.42 3.48 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 0.00 37 R 8.71 3.88 0.00 1.98 1.92 0.00 3.22 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 38 D 7.72 4.21 0.00 2.98 2.48 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 39 I 7.76 2.99 1.59 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 -0.20 0.32 0.73 0.00 0.00 40 A 8.07 3.95 1.26 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 0.00 0.00 41 S 7.91 4.10 0.00 4.06 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 42 E 8.00 3.84 0.00 2.04 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 2.30 2.63 0.00 43 A 8.48 4.19 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 44 I 7.37 3.83 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.36 0.96 0.00 0.00 45 K 7.94 4.03 0.00 1.83 1.75 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.62 7.81 46 L 8.35 3.93 0.00 1.87 1.84 0.92 0.87 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 47 A 8.38 4.13 1.44 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 48 R 8.03 4.39 0.00 2.04 2.05 0.00 3.11 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 49 H 8.30 4.22 0.00 3.31 3.38 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.76 4.13 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 51 G 8.42 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 0.00 0.00 0.00 52 R 7.29 4.79 0.00 1.94 1.95 0.00 3.11 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 53 K 8.88 4.56 0.00 1.73 1.80 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.21 7.81 54 T 8.32 3.46 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 1.20 0.00 0.00 55 I 8.10 3.88 1.85 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 1.40 0.72 0.89 0.00 0.00 56 K 8.19 4.67 0.00 1.72 1.65 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.72 7.81 57 A 8.37 3.96 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 58 E 8.09 4.01 0.00 2.02 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 2.40 2.40 0.00 59 D 7.89 4.33 0.00 2.86 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 60 I 7.85 3.63 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.54 0.90 0.00 0.00 61 E 8.66 3.97 0.00 2.11 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 2.34 2.45 0.00 62 L 8.54 3.94 0.00 1.96 1.67 0.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.90 4.07 1.44 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 64 V 8.11 3.93 2.25 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 0.85 0.00 0.00 1.05 0.00 0.00 65 R 7.80 4.04 0.00 1.90 2.05 0.00 3.27 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 66 R 8.55 4.00 0.00 2.09 2.03 0.00 3.40 0.00 0.00 3.30 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 67 F 8.89 4.34 0.00 3.27 3.16 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 68 K 6.79 3.47 0.00 1.24 1.59 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.09 7.81 69 K 7.96 4.03 0.00 1.61 1.50 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.39 7.81