NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6461 8.2233 120.2288 53.5897 42.8009 175.9977 6 L 3.8529 8.6769 123.9796 58.0122 41.3123 176.6288 7 E 4.1793 9.4203 118.7360 59.5349 29.9980 178.9506 8 E 4.2035 8.1057 117.8143 59.2579 29.9023 178.6453 9 L 4.0505 8.1347 119.4617 58.1127 41.6841 179.1003 10 E 3.8254 8.6171 117.8224 59.6814 29.3134 179.0690 11 Q 3.9659 7.9931 118.7324 58.3251 28.7204 178.0521 12 F 3.9655 8.6603 122.8917 60.8698 39.3856 176.8161 13 A 3.9191 8.3631 120.4445 55.0318 18.0266 179.1730 14 K 3.7578 8.2003 118.4038 60.2047 32.1398 178.9332 15 T 3.7736 8.2114 116.0267 66.5147 68.3671 176.2262 16 F 3.7651 8.3649 122.8854 61.1357 39.2988 176.9537 17 K 3.8952 8.5350 119.4350 59.6788 31.9655 178.6104 18 Q 3.9420 8.1220 118.2790 59.0561 28.6183 179.0761 19 R 3.7681 8.1122 119.3111 59.1694 30.0159 178.9020 20 R 3.6549 7.9208 118.7038 59.5084 29.9226 178.4792 21 I 3.6766 8.0250 119.7597 64.3190 36.9042 178.2183 22 K 3.8662 8.1085 119.4272 59.6118 32.1083 178.5145 23 L 4.0457 8.1179 117.9142 55.1811 41.4798 177.3784 24 G 3.9744 8.1202 107.0594 46.8409 0.0000 175.0268 25 F 4.5157 8.4797 120.5768 55.8624 37.5313 175.1418 26 T 4.3884 7.6330 119.8293 60.6046 69.3682 172.3265 27 Q 3.7360 8.1976 120.8819 55.5262 27.7385 175.3201 28 G 4.0917 7.0058 102.3851 43.2398 0.0000 175.1044 29 D 4.0130 8.3381 121.4740 56.9283 41.2327 176.8705 30 V 3.3561 7.8507 118.3246 66.0840 31.3466 177.7240 31 G 3.8194 8.0520 104.6104 47.5106 0.0000 175.0425 32 L 3.8967 8.3588 122.8295 57.7790 42.1127 178.6071 33 A 4.2851 8.2354 122.2681 54.9960 18.4438 178.9377 34 M 3.9029 8.6965 116.8620 58.8220 31.9670 178.3217 35 G 3.9556 8.1990 104.9818 48.1419 0.0000 175.4138 36 K 4.1818 8.0747 120.0363 58.8812 32.2190 179.4274 37 L 4.1373 8.0642 118.0272 57.6021 41.6772 176.7392 38 Y 4.8292 8.6776 112.2993 57.3995 40.0484 176.4846 39 G 4.3472 7.4221 110.6082 45.4485 0.0000 172.6883 40 N 4.6664 8.4975 119.3891 52.1210 35.8128 172.6969 41 D 4.7812 7.6083 119.7183 53.6640 44.5089 174.6112 42 F 3.3696 7.9599 116.3498 58.6521 36.2028 176.7075 43 S 4.3786 7.9343 111.8685 58.0195 62.0903 173.1678 44 Q 4.0595 8.0649 130.5641 58.3162 28.4850 174.3231 45 T 3.7367 7.2785 106.0630 66.6690 68.1868 175.6238 46 T 3.7798 7.5697 117.9240 65.3418 68.5677 176.7783 47 I 4.0191 7.8554 121.4034 64.6563 37.2099 178.1500 48 S 4.1939 8.4801 116.2249 61.9471 62.7112 177.0482 49 R 3.9552 8.4268 120.8752 59.2321 29.7369 178.7180 50 F 4.4761 8.6657 120.6473 61.7438 39.2395 176.9385 51 E 3.8569 8.4113 116.6490 59.3066 29.4053 178.6396 52 A 4.2247 8.2886 117.9743 51.7756 18.8181 177.0324 53 L 3.7726 8.1048 117.1242 55.6569 40.0448 174.2915 54 N 5.0200 8.4486 114.3205 54.2605 38.8584 175.3108 55 L 4.6002 8.3739 112.9315 54.4952 44.4262 177.7253 56 S 3.7379 9.0223 112.4012 59.9691 59.9632 170.7626 57 F 3.9784 7.8459 134.0891 59.3843 39.2792 176.3864 58 K 3.8574 8.3045 118.3846 60.4295 32.1876 177.7125 59 N 4.3468 7.6518 118.8642 56.1388 39.0450 176.4680 60 M 3.9680 8.0513 119.6805 59.0041 31.8215 178.2194 61 C 3.9008 7.6341 117.4314 62.2610 31.5529 175.4424 62 K 4.0566 7.6297 119.8220 58.7385 31.7843 179.1443 63 L 3.6914 7.9795 120.6228 58.7632 40.3263 178.7109 64 K 3.5754 8.2486 121.1674 59.0832 31.9177 176.5810 65 P 4.2476 0.0000 0.0000 65.7210 31.1843 178.3048 66 L 3.8472 7.2829 118.3080 57.6967 41.5732 179.4871 67 L 3.9951 7.8546 118.9369 57.4865 41.3075 179.1269 68 E 4.2832 8.7642 119.8027 59.4907 29.6049 178.8354 69 K 3.9791 8.6276 120.0284 59.1914 32.2367 178.3359 70 W 3.8254 8.9343 129.1133 60.3119 30.3804 177.6137 71 L 4.1150 8.6840 119.3464 58.2632 41.6780 177.9733 72 N 4.3695 8.1731 115.7826 56.7664 38.9231 176.0206 73 D 4.1070 8.1026 117.9305 56.7553 42.1386 177.0111 74 A 2.5800 7.3052 119.7094 51.8768 16.4264 176.1355 75 E 4.0155 8.1043 127.0993 57.2215 29.6130 176.2435 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 5 D 8.22 4.65 0.00 2.74 2.94 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 6 L 8.68 3.85 0.00 1.87 1.78 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.42 4.18 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 8 E 8.11 4.20 0.00 2.23 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 2.50 0.00 9 L 8.13 4.05 0.00 1.87 1.71 1.10 1.11 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 10 E 8.62 3.83 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 11 Q 7.99 3.97 0.00 2.33 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.94 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 12 F 8.66 3.97 0.00 3.28 3.39 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 13 A 8.36 3.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.76 0.00 1.81 2.04 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.64 7.81 15 T 8.21 3.77 4.25 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 1.16 0.00 0.00 16 F 8.36 3.77 0.00 2.77 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 17 K 8.54 3.90 0.00 2.08 2.00 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 18 Q 8.12 3.94 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 19 R 8.11 3.77 0.00 1.62 1.77 0.00 3.22 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 20 R 7.92 3.65 0.00 1.46 1.96 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 21 I 8.02 3.68 1.99 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 1.41 0.63 0.90 0.00 0.00 22 K 8.11 3.87 0.00 1.70 1.94 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 23 L 8.12 4.05 0.00 1.38 0.84 0.55 0.56 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 24 G 8.12 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 0.00 0.00 0.00 25 F 8.48 4.52 0.00 3.04 2.93 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 26 T 7.63 4.39 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 1.30 0.00 0.00 27 Q 8.20 3.74 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.34 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 28 G 7.01 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.34 4.01 0.00 2.44 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 0.00 0.00 0.00 0.00 30 V 7.85 3.36 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 0.49 0.00 0.00 0.27 0.00 0.00 31 G 8.05 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 32 L 8.36 3.90 0.00 1.69 1.81 0.92 0.99 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 33 A 8.24 4.29 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.70 3.90 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.83 0.00 35 G 8.20 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.07 4.18 0.00 2.06 1.90 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.65 7.81 37 L 8.06 4.14 0.00 1.09 1.33 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.68 4.83 0.00 2.94 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 39 G 7.42 4.35 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 0.00 40 N 8.50 4.67 0.00 2.87 2.91 0.00 0.00 5.87 8.06 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 41 D 7.61 4.78 0.00 2.79 2.82 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 42 F 7.96 3.37 0.00 3.18 3.14 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 43 S 7.93 4.38 0.00 3.96 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 44 Q 8.06 4.06 0.00 2.52 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 45 T 7.28 3.74 4.18 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 1.23 0.00 0.00 46 T 7.57 3.78 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 0.65 0.00 0.00 47 I 7.86 4.02 2.18 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.06 1.19 0.00 0.00 48 S 8.48 4.19 0.00 4.01 3.96 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 0.00 0.00 0.00 49 R 8.43 3.96 0.00 1.99 2.02 0.00 3.11 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 50 F 8.67 4.48 0.00 3.25 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.86 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 52 A 8.29 4.22 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 53 L 8.10 3.77 0.00 1.88 1.76 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.45 5.02 0.00 2.65 2.83 0.00 0.00 6.80 7.49 0.00 0.00 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 L 8.37 4.60 0.00 1.78 1.59 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 S 9.02 3.74 0.00 3.99 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 57 F 7.85 3.98 0.00 3.36 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 58 K 8.30 3.86 0.00 1.96 2.04 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.74 1.54 7.81 59 N 7.65 4.35 0.00 2.86 2.82 0.00 0.00 7.25 7.50 0.00 0.00 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 M 8.05 3.97 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.88 0.00 61 C 7.63 3.90 0.00 1.61 2.44 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 62 K 7.63 4.06 0.00 1.84 1.73 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.53 7.81 63 L 7.98 3.69 0.00 1.86 2.07 -0.39 0.75 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 64 K 8.25 3.58 0.00 1.69 1.63 0.00 0.97 0.00 0.00 1.19 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.86 0.21 7.81 65 P 0.00 4.25 0.00 2.22 2.20 0.00 3.57 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 2.12 1.94 0.00 66 L 7.28 3.85 0.00 1.73 1.65 0.67 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.85 4.00 0.00 1.70 0.59 -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.76 4.28 0.00 2.27 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 0.00 2.46 2.64 0.00 69 K 8.63 3.98 0.00 1.95 2.18 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.68 7.81 70 W 8.93 3.83 0.00 3.58 3.58 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 71 L 8.68 4.11 0.00 2.29 1.93 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.17 4.37 0.00 2.77 3.05 0.00 0.00 7.20 9.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.10 4.11 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.31 2.58 0.95 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 0.00 0.00 75 E 8.10 4.02 0.00 1.93 1.77 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 2.36 2.26 0.00