NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5225 8.3349 116.8103 58.0590 64.5445 173.1082 8 D 4.7110 8.4273 121.9092 52.9213 42.0668 174.2829 9 F 5.2382 8.0918 114.2603 55.3986 42.0169 173.3930 10 V 4.4506 8.8960 119.2261 61.0866 34.5412 174.1465 11 V 4.8316 8.7528 126.9267 61.3740 33.7490 174.3809 12 I 4.9341 9.1469 128.3774 59.3756 40.5574 174.0948 13 K 5.0200 9.2367 128.8599 54.2819 34.5310 174.9918 14 A 4.4384 8.8704 130.1023 52.1166 19.2638 177.4537 15 L 4.7813 8.8927 121.6781 54.4931 42.7123 175.9487 16 E 4.6815 7.7130 115.5170 54.7912 32.3194 174.4845 17 D 4.4505 8.3307 119.4341 55.7369 41.3369 176.8690 18 G 3.8610 8.7066 109.6758 45.7034 0.0000 173.8791 19 V 3.8806 7.6045 119.7854 62.8418 32.8331 174.5045 20 N 5.3082 8.9887 124.8477 51.4804 41.2075 173.6327 21 V 4.5510 8.6953 124.4617 61.3151 33.7394 174.1837 22 I 4.5996 8.7875 129.8432 59.3845 39.6392 174.9034 23 G 4.2432 8.8253 114.9767 44.9325 0.0000 172.4292 24 L 5.5838 8.8966 125.4922 52.8995 44.3608 176.1872 25 T 4.5844 8.6241 114.0023 61.7866 69.3525 174.2428 26 R 4.3633 7.8029 125.8265 56.6612 30.9070 175.0090 27 G 3.7441 8.8096 109.5139 44.1363 0.0000 173.8795 28 A 3.9719 8.6502 121.4198 54.3340 18.6621 177.6382 29 D 4.8223 7.2299 111.4416 52.9935 42.7824 175.6739 30 T 4.7649 8.2926 121.1292 61.8936 70.9708 173.2795 31 R 4.6145 8.8416 122.1892 54.3982 33.7174 174.2079 32 F 5.3224 8.5032 119.0823 58.0319 39.0847 175.2328 33 H 4.9859 9.0339 118.4298 56.1383 30.3019 174.0138 34 H 4.7124 7.6081 117.2364 55.1724 33.2757 172.0498 35 S 4.7687 8.2455 119.4970 56.3570 64.6487 172.5800 36 E 4.2830 8.9652 130.0592 55.1555 30.6136 174.9177 37 K 4.7179 8.6083 129.1504 55.8056 33.4946 175.5329 38 L 4.9814 9.1034 127.6944 53.2341 44.5878 175.9436 39 D 5.1148 8.9428 122.9423 52.1497 43.6653 175.9273 40 K 4.0051 8.7339 121.6729 58.5020 32.2891 176.9559 41 G 4.0209 9.0169 115.5367 45.1678 0.0000 173.5636 42 E 4.2341 8.0556 119.6373 56.3106 30.7264 176.0827 43 V 4.9523 8.3005 122.0913 60.9941 34.5496 174.2436 44 L 4.7724 9.0596 129.2661 53.2424 45.0198 174.8663 45 I 5.0474 8.5300 126.2940 59.6148 39.4306 174.6653 46 A 4.7295 8.9699 129.1964 50.1132 21.8707 175.3112 47 Q 4.7816 8.6123 120.8293 54.8008 30.5324 175.7795 48 F 4.7596 8.2145 120.4062 58.0754 38.7240 175.0547 49 T 4.7232 9.0285 111.4660 60.0352 72.0142 174.0858 50 E 4.1740 8.9270 121.4225 59.2761 29.7690 177.1281 51 H 4.5804 7.8398 114.4339 56.0790 29.8555 174.4572 52 T 4.9030 8.1468 116.4939 62.0744 70.2767 173.9554 53 S 4.9678 8.7304 120.2078 58.0922 64.7433 173.5143 54 A 5.0429 7.8646 121.3219 51.1966 22.5257 175.1700 55 I 5.0535 8.5857 120.5708 59.3674 40.9055 174.6941 56 K 4.6021 9.1301 128.0888 54.5125 34.8046 174.6448 57 V 4.8013 8.3833 126.5309 61.0626 33.7045 174.3344 58 R 4.4905 9.0290 128.3532 55.5924 32.7976 175.0942 59 G 4.0318 8.9969 111.2114 43.9109 0.0000 172.3420 60 K 4.5350 9.5215 120.5598 56.1089 33.0488 175.6487 61 A 5.1272 8.8654 128.0271 50.9127 23.5396 173.6440 62 Y 4.9235 9.0486 121.1964 55.9344 41.1351 174.6027 63 I 5.0847 8.2246 126.9205 59.5439 40.9011 174.3903 64 Q 5.0322 9.0965 125.4940 54.4203 32.0818 174.9083 65 T 4.5205 8.5962 113.0004 59.7983 72.2879 174.4629 66 R 3.7326 8.4994 120.1905 59.5053 30.0243 176.8418 67 H 4.6314 7.7833 112.9295 55.2981 29.4592 173.7142 68 G 3.7693 7.5021 105.7874 43.9742 0.0000 172.6974 69 V 4.5435 8.0378 119.0738 61.6630 33.3382 176.3321 70 I 4.6319 8.3490 125.4444 59.6644 42.0701 173.0952 71 E 5.2013 8.5252 125.1201 54.5058 32.5950 175.8816 72 S 4.6734 8.6583 118.7677 57.7218 65.2731 172.8955 73 E 4.9419 8.5498 119.7121 54.5197 32.7065 176.1966 74 G 3.8527 8.6388 111.6061 44.3061 0.0000 173.6805 75 K 3.9973 8.6119 119.8471 56.7509 32.0628 176.5265 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 7 S 8.33 4.52 0.00 3.99 4.06 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 0.00 0.00 0.00 0.00 8 D 8.43 4.71 0.00 2.96 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 9 F 8.09 5.24 0.00 3.04 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 10 V 8.90 4.45 1.95 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 0.95 0.00 0.00 0.76 0.00 0.00 11 V 8.75 4.83 2.16 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 1.08 0.00 0.00 1.17 0.00 0.00 12 I 9.15 4.93 1.87 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 1.10 0.66 0.92 0.00 0.00 13 K 9.24 5.02 0.00 1.83 1.75 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.36 7.81 14 A 8.87 4.44 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 15 L 8.89 4.78 0.00 1.64 1.70 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.71 4.68 0.00 2.02 1.88 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 2.18 2.33 0.00 17 D 8.33 4.45 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.60 3.88 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 0.80 0.00 0.00 1.02 0.00 0.00 20 N 8.99 5.31 0.00 2.62 2.58 0.00 0.00 6.28 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 21 V 8.70 4.55 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 1.01 0.00 0.00 0.90 0.00 0.00 22 I 8.79 4.60 1.39 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.31 -0.20 0.00 0.00 23 G 8.83 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 0.00 0.00 0.00 0.00 24 L 8.90 5.58 0.00 1.87 1.71 1.09 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.62 4.58 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 1.40 0.00 0.00 26 R 7.80 4.36 0.00 1.93 1.99 0.00 3.24 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.81 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 0.00 0.00 0.00 28 A 8.65 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.23 4.82 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 4.76 4.23 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 1.24 0.00 0.00 31 R 8.84 4.61 0.00 1.80 1.93 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 32 F 8.50 5.32 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 9.03 4.99 0.00 3.15 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.61 4.71 0.00 3.32 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.25 4.77 0.00 3.69 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 36 E 8.97 4.28 0.00 2.17 1.80 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 2.28 2.29 0.00 37 K 8.61 4.72 0.00 1.77 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.44 7.81 38 L 9.10 4.98 0.00 1.55 1.52 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.94 5.11 0.00 2.60 2.68 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 40 K 8.73 4.01 0.00 1.85 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.30 7.81 41 G 9.02 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.06 4.23 0.00 2.05 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 2.32 2.36 0.00 43 V 8.30 4.95 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 44 L 9.06 4.77 0.00 1.74 1.45 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.53 5.05 1.79 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 1.27 0.68 0.74 0.00 0.00 46 A 8.97 4.73 1.13 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 0.00 0.00 47 Q 8.61 4.78 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 48 F 8.21 4.76 0.00 3.06 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 49 T 9.03 4.72 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 1.32 0.00 0.00 50 E 8.93 4.17 0.00 1.94 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 2.07 2.28 0.00 51 H 7.84 4.58 0.00 3.42 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.15 4.90 4.38 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 1.35 0.00 0.00 53 S 8.73 4.97 0.00 3.86 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 54 A 7.86 5.04 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 55 I 8.59 5.05 1.88 0.00 0.00 0.29 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 0.79 0.85 0.00 0.00 56 K 9.13 4.60 0.00 1.80 1.46 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.36 7.81 57 V 8.38 4.80 2.06 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 9.03 4.49 0.00 1.84 1.68 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 59 G 9.00 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 0.00 0.00 0.00 0.00 60 K 9.52 4.53 0.00 1.82 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.87 5.13 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 0.00 0.00 0.00 0.00 0.00 62 Y 9.05 4.92 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.22 5.08 1.92 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 1.21 0.63 0.89 0.00 0.00 64 Q 9.10 5.03 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 65 T 8.60 4.52 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 1.15 0.00 0.00 66 R 8.50 3.73 0.00 1.61 1.78 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 67 H 7.78 4.63 0.00 3.18 3.26 0.00 5.69 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 68 G 7.50 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 0.00 0.00 0.00 69 V 8.04 4.54 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 0.20 0.00 0.00 0.86 0.00 0.00 70 I 8.35 4.63 1.80 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 1.19 0.98 0.84 0.00 0.00 71 E 8.53 5.20 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 72 S 8.66 4.67 0.00 3.97 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 73 E 8.55 4.94 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 74 G 8.64 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.61 4.00 0.00 1.73 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81