NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4359 8.3349 115.5505 58.1905 63.7270 172.7326 3 L 4.4788 8.9093 125.3870 52.5990 44.3871 174.1649 4 N 5.2323 9.8003 120.9798 52.3506 42.4135 172.6853 5 I 4.9685 8.5739 127.2359 59.7097 40.7208 175.0630 6 H 4.9557 9.1108 122.8634 55.6362 30.3610 174.3721 7 I 5.5059 8.6428 122.0355 58.7655 40.5099 174.7958 8 K 5.3171 8.5331 123.7013 53.8281 36.4281 175.3838 9 S 4.5980 8.5849 118.4186 58.5130 68.2048 178.6101 10 G 3.4255 8.5060 110.6340 46.7672 0.0000 176.6410 11 Q 4.6183 9.0564 119.9063 54.5994 30.0736 176.7309 12 D 4.6462 8.1201 118.7669 53.3019 42.9120 175.8103 13 K 5.2369 7.0454 118.9675 53.7340 36.5540 175.6709 14 W 5.1004 8.3761 119.5347 55.7298 33.6434 173.2065 15 E 5.1104 8.9421 124.7335 55.1826 30.8549 175.4173 16 V 4.6888 8.6706 118.0644 59.7616 36.4275 174.1297 17 N 5.2906 8.7786 120.8459 52.6104 39.9292 174.8345 18 V 4.5479 8.7186 122.1051 61.0932 35.7879 173.7709 19 A 4.3216 8.6114 128.8256 51.1945 19.1956 176.4162 20 P 4.0584 0.0000 0.0000 65.4328 31.5370 177.7619 21 E 4.7150 7.8477 112.6200 55.9518 30.1015 176.1231 22 S 4.2574 7.9667 116.1847 58.9851 63.5819 174.3652 23 T 4.5151 8.1742 114.2229 61.5172 70.8710 175.6100 24 V 3.9035 8.4438 119.9248 65.6827 31.4097 177.6983 25 L 3.9836 7.9339 120.2535 58.0314 41.8158 178.9386 26 Q 4.6109 8.3877 119.6669 58.6194 28.7405 178.4499 27 F 4.4325 8.2625 121.5449 61.2809 39.2077 177.3834 28 K 3.7915 8.0869 119.4090 58.8923 32.0864 178.8794 29 E 3.8374 8.1666 118.6133 59.7255 29.2187 179.7099 30 A 4.0152 8.0390 119.3209 55.2575 18.6684 179.2727 31 I 3.6067 7.6911 118.2399 64.4286 37.1602 177.6974 32 N 4.2443 8.1717 117.7764 57.0202 38.5841 176.6513 33 K 3.9487 8.2304 118.9857 58.4897 32.1352 176.4213 34 A 4.7762 8.2678 122.0073 51.4072 19.5772 176.0328 35 N 4.2435 8.3511 114.0118 54.4774 40.8470 174.8038 36 G 4.0445 8.1091 115.3356 44.2671 0.0000 173.0865 37 I 3.4062 6.8780 125.0631 58.8251 36.4711 174.2211 38 P 4.2765 0.0000 0.0000 62.3947 31.9743 177.2010 39 V 3.3064 8.3794 120.5016 66.5994 31.4931 177.6722 40 A 4.1811 7.9225 118.7002 53.5417 18.3111 177.0672 41 N 4.9968 8.1774 113.7436 53.6263 41.5595 174.4419 42 Q 4.3534 8.1910 118.3381 55.7497 29.6469 175.4259 43 R 4.6113 8.7667 126.6111 54.6510 31.9959 174.8358 44 L 5.0319 8.3703 127.2859 53.5649 43.6543 175.5823 45 I 5.4490 8.9417 125.5628 58.9146 39.7888 174.0774 46 Y 4.8753 8.3488 127.7307 56.1699 42.0730 175.2819 47 S 3.5751 8.9659 120.4257 59.7072 60.4438 173.2782 48 G 3.9307 8.1506 103.9790 45.6973 0.0000 173.2012 49 K 4.6554 7.9829 118.6536 54.1302 35.3416 174.9488 50 I 4.4486 8.1088 121.5834 59.8348 38.7047 175.2476 51 L 3.6975 8.7197 129.1539 54.5611 42.0845 177.0301 52 K 4.4580 9.4113 124.2304 55.5000 33.9751 177.7728 53 D 4.5462 8.9028 122.8376 56.6445 42.0127 177.3162 54 D 5.0912 7.9979 116.1390 53.7082 40.2963 176.4117 55 Q 4.8932 7.7110 116.5397 54.8963 32.4016 175.6460 56 T 4.4365 8.2641 112.5186 61.2980 69.5900 175.7402 57 V 3.6960 8.5323 124.6559 65.9020 31.4406 177.6676 58 E 4.2297 7.9865 116.2779 57.7574 29.6213 178.6145 59 S 3.9237 7.9076 115.5063 61.2016 62.9422 175.1174 60 Y 4.3710 7.1921 116.3745 57.6727 37.9655 175.4884 61 H 4.1476 7.8202 115.9088 56.3869 26.7278 174.4408 62 I 3.1301 7.6636 120.1470 61.7290 36.3907 176.0732 63 Q 4.1754 8.1539 124.5230 54.6457 29.5658 175.3199 64 D 4.3153 8.3438 119.4531 56.1489 41.4792 176.9577 65 G 4.0574 8.8413 113.9041 45.8603 0.0000 172.9863 66 H 4.8923 7.7999 115.8902 54.9862 30.8998 174.3347 67 S 5.2997 8.6722 116.7758 57.6518 64.3812 173.6791 68 V 4.6977 8.9336 125.0156 61.6511 33.5637 174.5984 69 H 5.0146 9.4182 125.3880 55.1988 30.6215 174.1071 70 L 5.0208 9.3617 124.3063 53.5008 44.1368 175.7984 71 V 4.3286 8.7524 128.0309 61.0404 33.1244 174.9943 72 K 4.7636 8.6515 128.0872 56.6657 32.7022 176.5944 73 S 4.6441 9.3721 119.5911 57.3450 67.7127 174.3475 74 Q 4.2869 8.9046 118.8372 56.4585 28.2409 173.6412 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 2 S 8.33 4.44 0.00 3.88 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 3 L 8.91 4.48 0.00 1.70 1.43 0.80 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 4 N 9.80 5.23 0.00 2.73 2.75 0.00 0.00 7.17 7.99 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 5 I 8.57 4.97 1.98 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 1.07 0.00 0.00 6 H 9.11 4.96 0.00 3.22 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.64 5.51 2.35 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 1.58 2.34 1.08 0.00 0.00 8 K 8.53 5.32 0.00 1.44 1.57 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.24 7.81 9 S 8.58 4.60 0.00 4.06 3.88 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 10 G 8.51 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.06 4.62 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.16 1.90 0.00 12 D 8.12 4.65 0.00 2.17 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.05 5.24 0.00 1.34 1.54 0.00 1.62 0.00 0.00 2.21 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.36 7.81 14 W 8.38 5.10 0.00 3.30 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 15 E 8.94 5.11 0.00 1.98 1.86 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 2.21 2.45 0.00 16 V 8.67 4.69 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 0.87 0.00 0.00 1.19 0.00 0.00 17 N 8.78 5.29 0.00 2.62 2.75 0.00 0.00 6.66 7.68 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 18 V 8.72 4.55 1.84 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 0.83 0.00 0.00 0.76 0.00 0.00 19 A 8.61 4.32 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 20 P 0.00 4.06 0.00 2.14 2.10 0.00 3.54 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 2.09 2.06 0.00 21 E 7.85 4.72 0.00 2.04 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 0.00 2.18 2.23 0.00 22 S 7.97 4.26 0.00 4.06 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 23 T 8.17 4.52 4.41 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 1.23 0.00 0.00 24 V 8.44 3.90 2.51 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 1.06 0.00 0.00 1.25 0.00 0.00 25 L 7.93 3.98 0.00 1.99 1.67 0.91 0.59 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 26 Q 8.39 4.61 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 27 F 8.26 4.43 0.00 3.11 3.24 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 28 K 8.09 3.79 0.00 1.96 1.72 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.35 7.81 29 E 8.17 3.84 0.00 2.20 2.03 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 2.32 2.35 0.00 30 A 8.04 4.02 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.69 3.61 1.78 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 1.22 0.69 0.62 0.00 0.00 32 N 8.17 4.24 0.00 2.61 2.86 0.00 0.00 6.95 7.07 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 33 K 8.23 3.95 0.00 1.87 1.95 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 34 A 8.27 4.78 1.20 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 0.00 0.00 35 N 8.35 4.24 0.00 1.44 1.99 0.00 0.00 7.11 7.10 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 36 G 8.11 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 37 I 6.88 3.41 1.63 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.32 0.81 0.00 0.00 38 P 0.00 4.28 0.00 2.17 2.13 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 39 V 8.38 3.31 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 0.92 0.00 0.00 0.88 0.00 0.00 40 A 7.92 4.18 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 N 8.18 5.00 0.00 2.85 2.78 0.00 0.00 6.99 7.34 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 42 Q 8.19 4.35 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 43 R 8.77 4.61 0.00 1.87 2.01 0.00 3.07 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 44 L 8.37 5.03 0.00 1.57 1.55 0.52 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.94 5.45 1.90 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 1.20 1.19 0.90 0.00 0.00 46 Y 8.35 4.88 0.00 3.00 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 47 S 8.97 3.58 0.00 3.90 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 48 G 8.15 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 49 K 7.98 4.66 0.00 1.99 1.75 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.39 7.81 50 I 8.11 4.45 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 1.40 0.77 0.93 0.00 0.00 51 L 8.72 3.70 0.00 1.39 1.37 0.89 -0.19 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 52 K 9.41 4.46 0.00 1.83 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.65 7.81 53 D 8.90 4.55 0.00 2.70 2.74 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 54 D 8.00 5.09 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.71 4.89 0.00 2.42 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 56 T 8.26 4.44 4.19 0.00 0.00 0.00 0.00 0.00 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 57 V 8.53 3.70 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 0.71 0.00 0.00 0.74 0.00 0.00 58 E 7.99 4.23 0.00 2.14 2.21 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 2.21 2.23 0.00 59 S 7.91 3.92 0.00 3.71 3.83 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 60 Y 7.19 4.37 0.00 3.12 3.07 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 0.00 0.00 0.00 61 H 7.82 4.15 0.00 3.44 3.48 0.00 5.87 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 62 I 7.66 3.13 1.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.29 0.59 0.00 0.00 63 Q 8.15 4.18 0.00 1.61 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.05 0.00 0.00 0.00 0.00 0.00 2.60 2.26 0.00 64 D 8.34 4.32 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 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 0.00 0.00 0.00 66 H 7.80 4.89 0.00 3.39 3.56 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.67 5.30 0.00 3.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.93 4.70 2.33 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 1.15 0.00 0.00 1.07 0.00 0.00 69 H 9.42 5.01 0.00 3.33 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.36 5.02 0.00 1.57 1.82 0.86 0.15 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 71 V 8.75 4.33 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 0.92 0.00 0.00 0.96 0.00 0.00 72 K 8.65 4.76 0.00 1.68 1.71 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.50 7.81 73 S 9.37 4.64 0.00 3.64 3.70 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 74 Q 8.90 4.29 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00