NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2576 8.3044 120.3500 55.0474 33.1535 173.6402 2 K 3.5998 8.7237 120.4761 56.4261 31.5350 175.9200 3 R 4.1554 8.5103 126.0807 56.7533 32.0263 177.2205 4 T 4.2805 7.8407 113.2802 58.8159 65.5732 173.7672 5 F 5.1267 7.0021 120.3211 58.2210 41.6871 172.9806 6 Q 4.3988 8.8144 128.2881 52.2712 29.2702 173.0671 7 P 4.3375 0.0000 0.0000 63.5103 31.7479 177.7191 8 S 4.5234 8.5977 115.1276 55.8121 63.4431 174.5060 9 V 3.5894 8.3045 127.0970 64.4643 30.9436 177.8724 10 L 3.9309 7.7991 119.3082 58.0386 42.3590 178.4275 11 K 4.0003 8.1352 117.7780 59.7944 31.9614 178.5170 12 R 3.8951 8.2232 117.8689 60.2988 30.0211 178.0788 13 N 4.3268 8.7341 116.2004 55.5115 38.8794 176.6238 14 R 4.5658 7.9602 112.1530 55.9153 30.3009 176.6207 15 S 4.5564 8.2250 114.7544 59.9670 64.2640 174.8442 16 H 4.9088 8.0290 113.8182 55.3375 30.8192 173.3308 17 G 4.3863 8.0166 108.6709 44.3354 0.0000 174.8670 18 F 3.9175 9.1458 125.0802 61.3902 38.9363 176.6228 19 R 3.8486 7.7426 119.1369 59.4101 29.2841 177.3843 20 A 4.2064 7.8810 121.1256 54.2065 18.9723 178.3392 21 R 4.1502 7.8527 116.4378 57.2353 29.9566 176.9238 22 M 4.3676 8.0474 116.5155 56.3699 33.7996 176.7107 23 A 4.0020 7.3316 121.5609 54.9115 18.6238 177.7400 24 T 4.3490 7.3823 104.2720 60.4832 71.0901 175.1452 25 K 4.0797 8.3393 120.8021 59.6297 32.3662 178.2391 26 N 4.4480 8.1307 116.3133 56.1263 38.4628 177.3356 27 G 3.7458 8.4253 109.0565 47.2646 0.0000 175.6954 28 R 3.8802 7.8131 120.4874 58.9307 30.1441 177.8393 29 Q 4.1128 8.0734 118.6353 57.8683 28.8839 178.0161 30 V 3.7186 7.7373 119.4744 66.1718 31.8756 177.4950 31 L 3.9847 7.8565 118.4429 58.1247 41.5059 179.6275 32 A 4.1561 8.0466 120.3108 54.8007 18.1685 179.5362 33 R 3.8448 7.6276 117.5953 59.7244 30.0286 179.0262 34 R 3.9875 8.3856 118.0028 59.2567 30.0378 178.8300 35 R 3.8920 8.2911 116.7629 59.4689 30.0752 178.7218 36 A 4.0865 7.8994 119.5074 55.1092 18.6703 179.1958 37 K 3.8806 7.4561 117.0908 57.9493 32.0951 177.1079 38 G 3.8207 8.1632 106.2908 45.5738 0.0000 173.4310 39 R 3.8093 8.0728 118.3853 56.3814 29.7642 175.5320 40 A 4.1555 7.9108 128.4275 54.2522 19.1489 178.5966 41 R 4.2249 7.7778 120.2630 54.1495 28.4396 177.1912 42 L 3.2480 6.7913 117.4803 56.9500 44.0039 176.7044 43 T 4.2985 7.9064 108.6454 62.4786 72.2387 176.4251 44 V 3.1327 8.3113 127.5935 64.1726 28.4482 173.6020 45 S 3.6941 6.6560 116.4843 60.2026 64.0780 175.3013 46 K 3.9879 7.5980 127.6197 56.2761 31.9756 174.8705 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 4.26 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.72 3.60 0.00 1.84 1.79 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.67 7.81 3 R 8.51 4.16 0.00 1.87 1.96 0.00 3.44 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.84 4.28 4.27 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 1.24 0.00 0.00 5 F 7.00 5.13 0.00 2.92 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 6 Q 8.81 4.40 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 7 P 0.00 4.34 0.00 2.07 1.77 0.00 3.51 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 8 S 8.60 4.52 0.00 3.85 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 9 V 8.30 3.59 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 0.81 0.00 0.00 0.99 0.00 0.00 10 L 7.80 3.93 0.00 1.67 1.75 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.14 4.00 0.00 2.04 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.53 7.81 12 R 8.22 3.90 0.00 1.97 2.12 0.00 3.19 0.00 0.00 3.22 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 13 N 8.73 4.33 0.00 3.05 2.91 0.00 0.00 6.77 7.26 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 14 R 7.96 4.57 0.00 1.90 2.08 0.00 3.04 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 15 S 8.22 4.56 0.00 4.03 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 16 H 8.03 4.91 0.00 3.05 3.25 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.02 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 0.00 0.00 0.00 0.00 18 F 9.15 3.92 0.00 3.05 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 19 R 7.74 3.85 0.00 2.00 1.83 0.00 3.42 0.00 0.00 3.35 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 20 A 7.88 4.21 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 21 R 7.85 4.15 0.00 1.95 1.86 0.00 3.07 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 22 M 8.05 4.37 0.00 1.78 2.04 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 23 A 7.33 4.00 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 24 T 7.38 4.35 4.21 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 1.17 0.00 0.00 25 K 8.34 4.08 0.00 1.87 1.80 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.56 7.81 26 N 8.13 4.45 0.00 2.83 2.84 0.00 0.00 6.85 7.58 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 27 G 8.43 3.75 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 0.00 0.00 0.00 28 R 7.81 3.88 0.00 1.87 1.94 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 29 Q 8.07 4.11 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 30 V 7.74 3.72 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 1.07 0.00 0.00 0.95 0.00 0.00 31 L 7.86 3.98 0.00 1.75 1.81 0.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.05 4.16 1.37 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 0.00 0.00 33 R 7.63 3.84 0.00 2.11 2.00 0.00 3.14 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 34 R 8.39 3.99 0.00 2.04 1.97 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 35 R 8.29 3.89 0.00 2.00 2.05 0.00 3.32 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 36 A 7.90 4.09 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 37 K 7.46 3.88 0.00 1.71 2.11 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 38 G 8.16 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.07 3.81 0.00 1.94 1.88 0.00 3.29 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 40 A 7.91 4.16 1.25 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 0.00 0.00 41 R 7.78 4.22 0.00 1.82 1.92 0.00 3.25 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 42 L 6.79 3.25 0.00 1.63 1.58 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.91 4.30 4.48 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 1.28 0.00 0.00 44 V 8.31 3.13 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 0.85 0.00 0.00 0.96 0.00 0.00 45 S 6.66 3.69 0.00 4.00 3.87 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 K 7.60 3.99 0.00 1.65 1.64 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 1.35 7.81