NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5854 8.3049 120.3671 56.1821 32.8514 171.8381 2 I 2.8391 7.6935 126.7804 59.2085 38.0488 169.3885 3 V 3.3358 8.5401 124.5834 62.0184 32.9207 173.6892 4 P 4.2844 0.0000 0.0000 61.5983 31.2415 176.6970 5 V 3.6608 8.1478 123.7940 63.6553 32.1823 173.1395 6 R 3.6593 8.4700 128.0752 56.0413 29.3314 175.4576 7 C 4.0218 8.3559 121.2105 58.4189 32.4109 172.6477 8 F 4.2472 8.2433 123.0427 60.6638 38.3225 177.1763 9 S 3.4364 8.4782 114.2214 62.7064 63.4329 175.4731 10 C 4.0494 8.2928 116.3002 56.9448 42.2794 174.2492 11 G 3.1818 8.2002 113.6132 44.1249 0.0000 173.9258 12 K 3.9094 7.9844 122.8028 56.0574 32.7224 176.0208 13 V 3.9214 8.1315 124.9262 64.1284 32.2656 176.3630 14 V 4.3795 8.0562 120.6153 63.6787 34.6303 175.3706 15 G 3.6820 8.0710 107.9959 48.3852 0.0000 174.9276 16 D 4.5394 8.1822 119.6948 56.1903 40.2447 178.6875 17 K 4.0613 7.4836 116.3212 57.6456 32.1531 178.3249 18 W 4.7200 9.1357 130.8220 59.8509 30.5331 177.5711 19 E 3.7279 8.3582 117.3896 59.6885 29.3085 179.4021 20 S 4.0795 8.1865 114.3465 61.9751 62.7004 176.1273 21 Y 3.9151 7.5537 119.7778 60.7900 38.6686 177.1955 22 L 3.4984 8.1488 121.4777 58.3187 41.7636 178.9235 23 N 4.3181 8.3734 116.5865 55.9899 38.3962 177.0263 24 L 4.0854 7.4506 117.4027 55.9835 41.3058 177.9483 25 L 4.2375 7.6324 118.9759 56.3095 42.8705 178.4561 26 Q 3.8819 7.2281 116.7954 59.1152 29.5142 176.6843 27 E 3.9234 7.7205 118.1139 58.1410 29.2110 177.8902 28 D 4.1681 8.8608 119.8379 56.7448 41.5767 178.5318 29 E 3.7548 7.9898 112.9831 57.6940 25.6670 174.4277 30 L 4.8436 7.8432 125.5409 52.6400 46.0662 175.3539 31 D 4.9390 7.9857 117.9491 52.3572 41.7918 175.9148 32 E 3.3385 9.0226 115.3923 57.6867 30.3802 180.9867 33 G 3.9368 8.2718 110.6230 47.8196 0.0000 175.7787 34 T 4.0018 8.1389 118.1970 66.1600 68.4925 176.7354 35 A 3.9708 7.8448 121.5617 55.6386 18.5466 179.0877 36 L 4.1028 8.2304 116.4142 58.4932 41.6103 179.6266 37 S 4.1115 7.8471 113.7883 62.1558 62.6218 177.1896 38 R 3.9809 7.7227 120.1626 59.0460 29.9636 177.9582 39 L 4.2511 8.0724 117.5267 55.7010 41.8408 177.9070 40 G 3.9219 7.7026 107.2918 44.8710 0.0000 173.8558 41 L 4.2063 7.6321 119.5459 54.4552 41.0083 176.1987 42 K 4.3191 8.6669 123.6321 57.7468 33.6917 177.2976 43 R 4.6923 7.7156 116.4493 53.9659 31.1420 176.4273 44 Y 4.3402 9.4525 120.3189 60.4652 37.5695 177.8702 45 C 3.9952 7.5710 114.5611 61.7438 29.7045 175.4654 46 C 4.5813 8.0288 115.7428 56.6922 34.5718 175.2918 47 R 4.2394 7.6845 121.4415 58.7951 29.9001 178.3979 48 R 3.9858 8.6101 115.7436 59.4220 29.2066 177.7832 49 M 4.0568 8.0747 118.5365 58.8536 32.0867 178.0165 50 I 3.7944 7.4847 119.2541 64.1759 37.3245 178.0270 51 L 3.9800 7.7699 119.5320 57.7825 41.7857 177.7462 52 T 4.4805 7.4247 112.6769 64.6032 70.4198 174.1024 53 H 3.7890 6.9313 116.6745 56.4932 30.0456 173.8714 54 V 4.1881 8.2863 126.5338 61.0797 32.5640 176.7886 55 D 4.7931 8.4065 132.2612 53.3574 40.1292 177.5396 56 L 3.7254 8.2549 121.3884 58.1813 41.6592 178.8253 57 I 4.2650 8.1255 117.8882 64.7140 37.7138 177.0598 58 E 3.8688 8.1016 117.8651 59.5397 29.3718 179.3711 59 K 4.0555 8.7547 119.3584 59.1790 31.8933 179.3347 60 F 4.6496 7.6854 116.5183 60.9123 39.3549 176.8829 61 L 4.2690 9.1267 119.6138 58.1329 41.2290 179.4042 62 R 4.0355 7.4191 113.3679 55.7167 29.9721 175.2731 63 Y 4.4509 8.2742 119.8773 58.1569 36.0090 176.0206 64 N 4.9455 9.0716 125.3467 53.8307 42.4320 171.2167 65 P 4.4934 0.0000 0.0000 62.9125 31.7333 176.3709 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 8.30 4.59 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 2 I 7.69 2.84 1.81 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 1.18 0.15 0.82 0.00 0.00 3 V 8.54 3.34 1.94 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 0.75 0.00 0.00 0.22 0.00 0.00 4 P 0.00 4.28 0.00 1.75 1.63 0.00 3.54 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 5 V 8.15 3.66 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 0.77 0.00 0.00 0.89 0.00 0.00 6 R 8.47 3.66 0.00 1.91 2.02 0.00 3.24 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 7 C 8.36 4.02 0.00 2.87 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 8 F 8.24 4.25 0.00 3.09 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 9 S 8.48 3.44 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.29 4.05 0.00 3.07 3.18 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 0.00 0.00 0.00 0.00 11 G 8.20 3.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.98 3.91 0.00 1.79 1.68 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.43 7.81 13 V 8.13 3.92 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 0.81 0.00 0.00 0.92 0.00 0.00 14 V 8.06 4.38 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 0.81 0.00 0.00 0.93 0.00 0.00 15 G 8.07 3.68 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 0.00 0.00 0.00 16 D 8.18 4.54 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.48 4.06 0.00 1.96 1.97 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.56 7.81 18 W 9.14 4.72 0.00 3.28 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 19 E 8.36 3.73 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 20 S 8.19 4.08 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.55 3.92 0.00 2.89 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 22 L 8.15 3.50 0.00 0.80 1.36 0.61 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.37 4.32 0.00 2.93 2.75 0.00 0.00 6.95 6.51 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 24 L 7.45 4.09 0.00 1.58 1.57 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.63 4.24 0.00 1.59 1.46 0.66 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.23 3.88 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 27 E 7.72 3.92 0.00 2.13 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 2.35 2.28 0.00 28 D 8.86 4.17 0.00 2.57 2.67 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 0.00 0.00 0.00 0.00 29 E 7.99 3.75 0.00 1.95 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 0.00 2.24 2.54 0.00 30 L 7.84 4.84 0.00 1.74 1.50 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.99 4.94 0.00 2.79 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 32 E 9.02 3.34 0.00 2.15 1.87 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 2.51 2.63 0.00 33 G 8.27 3.94 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 0.00 0.00 0.00 34 T 8.14 4.00 4.42 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 1.21 0.00 0.00 35 A 7.84 3.97 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 36 L 8.23 4.10 0.00 1.90 1.78 0.96 0.98 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 37 S 7.85 4.11 0.00 4.15 3.97 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 38 R 7.72 3.98 0.00 1.85 2.16 0.00 3.25 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 39 L 8.07 4.25 0.00 1.86 1.76 1.20 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.70 3.92 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 0.00 41 L 7.63 4.21 0.00 1.68 1.68 0.94 0.89 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 42 K 8.67 4.32 0.00 1.88 1.95 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.45 7.81 43 R 7.72 4.69 0.00 2.15 2.19 0.00 3.02 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 44 Y 9.45 4.34 0.00 3.20 3.13 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 0.00 0.00 0.00 0.00 45 C 7.57 4.00 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.03 4.58 0.00 3.01 3.11 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 0.00 0.00 0.00 0.00 47 R 7.68 4.24 0.00 2.10 2.06 0.00 3.21 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 48 R 8.61 3.99 0.00 1.97 2.15 0.00 3.23 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.11 0.00 49 M 8.07 4.06 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 50 I 7.48 3.79 1.65 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 1.34 0.75 0.45 0.00 0.00 51 L 7.77 3.98 0.00 1.62 1.75 1.00 0.92 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 52 T 7.42 4.48 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 1.26 0.00 0.00 53 H 6.93 3.79 0.00 3.02 3.08 0.00 5.75 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 54 V 8.29 4.19 2.12 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 0.87 0.00 0.00 1.05 0.00 0.00 55 D 8.41 4.79 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.73 0.00 1.84 1.07 0.97 0.60 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 57 I 8.13 4.27 2.04 0.00 0.00 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 1.77 1.50 1.08 0.00 0.00 58 E 8.10 3.87 0.00 2.17 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 2.65 2.61 0.00 59 K 8.75 4.06 0.00 1.38 1.68 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 60 F 7.69 4.65 0.00 3.27 3.12 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 61 L 9.13 4.27 0.00 1.86 1.81 1.00 0.87 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 62 R 7.42 4.04 0.00 1.85 1.80 0.00 3.19 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 63 Y 8.27 4.45 0.00 3.22 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 0.00 0.00 0.00 0.00 64 N 9.07 4.95 0.00 2.68 2.60 0.00 0.00 6.83 7.69 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 65 P 0.00 4.49 0.00 2.23 2.03 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00