NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4913 8.2893 120.3267 54.6639 33.8146 175.9454 2 P 4.5728 0.0000 0.0000 60.8578 33.2569 175.0239 3 S 4.3962 8.4924 104.9746 59.3815 63.7152 173.5058 4 H 3.6114 7.3734 121.3354 55.3320 29.3559 174.2350 5 K 4.0726 8.1877 125.9323 59.5647 33.2428 177.7932 6 T 3.8975 7.8264 114.7703 61.8169 67.9093 173.9555 7 F 4.2780 9.1952 130.5608 61.6679 39.1072 177.4362 8 R 4.0424 7.9270 115.9108 59.4059 30.2299 178.6147 9 I 3.7641 7.6653 119.0228 64.2088 37.1865 178.1221 10 K 3.8730 8.0384 120.4568 59.5605 31.8995 178.5823 11 Q 3.9106 9.0228 120.4700 59.2861 29.0907 178.3917 12 K 4.0536 8.0563 119.0173 59.2391 32.1102 179.1497 13 L 4.0389 8.2489 119.3648 57.8982 41.5373 179.4404 14 A 4.2814 7.8265 121.4651 54.3266 18.1727 179.4294 15 K 3.8355 8.4358 118.6040 59.8385 32.1944 179.1682 16 K 4.0034 8.2076 118.5925 59.3465 31.5119 179.1209 17 Q 3.9547 8.2549 119.9163 59.3000 28.7981 178.3986 18 R 3.9091 8.1500 118.8119 59.4580 30.1653 177.9039 19 Q 4.2011 8.2820 118.9502 58.3135 30.3184 177.1648 20 N 4.7715 8.0611 118.7998 51.0342 36.2966 173.6114 21 R 4.7156 7.1380 122.5302 53.1293 34.2508 172.6261 22 P 4.4250 0.0000 0.0000 62.0814 31.9894 175.8282 23 I 3.9662 7.9639 120.0969 60.0273 38.7823 172.8933 24 P 4.8777 0.0000 0.0000 62.3138 31.7952 175.7001 25 Y 3.9796 8.1338 124.8949 59.9209 39.7955 176.8528 26 W 4.2818 8.5879 115.7711 59.5972 28.3146 178.5804 27 I 2.4177 5.4200 115.8361 62.1290 37.9993 177.0706 28 R 3.8776 6.9452 118.0648 58.6870 29.4913 177.5923 29 M 4.1503 8.6871 118.6394 57.1632 33.0007 176.9948 30 R 4.3579 7.5990 118.1791 56.8304 29.7701 175.9514 31 T 4.4464 7.4279 109.8926 60.5396 70.4390 175.0025 32 D 4.4649 8.5817 119.4898 55.2328 38.2992 173.2405 33 N 4.8996 8.1543 122.2307 52.0176 40.3062 173.0213 34 T 4.2228 8.4745 121.4331 61.3439 69.4159 171.1101 35 I 3.8782 7.8902 131.4161 61.5399 35.8615 175.2732 36 R 4.5336 7.7852 121.3936 55.7498 28.3692 176.7369 37 Y 4.0216 8.5630 126.6323 62.1541 37.2053 178.8854 38 N 3.1400 6.7978 111.8625 49.5090 42.1089 174.1830 39 A 4.1279 8.3645 123.8694 52.1905 16.6834 180.1732 40 K 4.3830 7.9673 113.1730 56.7800 31.5746 176.5128 41 R 4.3395 7.9738 120.9915 55.1455 30.2084 175.7299 42 R 4.7934 8.5471 121.0455 54.4256 31.7717 174.1034 43 H 5.0944 8.3298 117.7433 53.7805 32.7283 174.6786 44 W 4.2573 9.0356 123.1239 59.7780 28.1921 177.8385 45 R 3.4694 6.3347 117.2376 57.2450 29.5245 176.2936 46 R 4.4605 7.0354 113.0476 54.1753 32.4979 175.7350 47 T 3.1725 8.2634 105.1151 63.3724 69.9712 171.2287 48 K 4.4473 7.9277 117.9331 55.6596 36.0652 174.7435 49 L 4.1312 8.4550 125.2040 54.5561 42.7605 176.7928 50 G 3.6702 8.2220 114.5640 44.5440 0.0000 173.5275 51 F 4.8535 8.0973 117.4778 57.6804 39.0766 176.0526 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 8.29 4.49 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 P 0.00 4.57 0.00 2.22 2.03 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 3 S 8.49 4.40 0.00 3.94 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 4 H 7.37 3.61 0.00 3.17 3.43 0.00 5.92 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.19 4.07 0.00 1.89 1.87 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.39 7.81 6 T 7.83 3.90 4.26 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 1.26 0.00 0.00 7 F 9.20 4.28 0.00 3.13 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 4.04 0.00 1.80 1.94 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 9 I 7.67 3.76 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.59 0.00 0.00 10 K 8.04 3.87 0.00 2.03 2.11 0.00 1.51 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 11 Q 9.02 3.91 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.60 0.00 12 K 8.06 4.05 0.00 1.99 1.89 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.74 7.81 13 L 8.25 4.04 0.00 1.71 1.78 0.93 0.97 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 14 A 7.83 4.28 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 K 8.44 3.84 0.00 1.97 2.06 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.66 7.81 16 K 8.21 4.00 0.00 2.08 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.68 7.81 17 Q 8.25 3.95 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 18 R 8.15 3.91 0.00 1.82 1.96 0.00 3.33 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 19 Q 8.28 4.20 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.15 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 20 N 8.06 4.77 0.00 2.89 2.80 0.00 0.00 6.72 8.35 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 21 R 7.14 4.72 0.00 1.91 1.77 0.00 3.43 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 22 P 0.00 4.43 0.00 2.22 2.01 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 23 I 7.96 3.97 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 0.82 0.00 0.00 24 P 0.00 4.88 0.00 2.51 2.18 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.98 0.00 25 Y 8.13 3.98 0.00 3.15 3.05 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 0.00 0.00 0.00 26 W 8.59 4.28 0.00 3.74 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 27 I 5.42 2.42 1.40 0.00 0.00 0.65 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 -0.04 -0.47 0.00 0.00 28 R 6.95 3.88 0.00 1.94 1.88 0.00 2.64 0.00 0.00 2.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.31 0.00 29 M 8.69 4.15 0.00 1.93 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 30 R 7.60 4.36 0.00 1.88 1.87 0.00 3.14 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 31 T 7.43 4.45 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 1.17 0.00 0.00 32 D 8.58 4.46 0.00 2.85 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 33 N 8.15 4.90 0.00 2.76 2.71 0.00 0.00 5.76 7.71 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 34 T 8.47 4.22 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 1.16 0.00 0.00 35 I 7.89 3.88 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.87 0.00 0.00 36 R 7.79 4.53 0.00 1.78 1.83 0.00 3.40 0.00 0.00 4.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 37 Y 8.56 4.02 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.80 3.14 0.00 2.86 2.93 0.00 0.00 6.46 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 39 A 8.36 4.13 1.49 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 0.00 0.00 40 K 7.97 4.38 0.00 1.77 1.85 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 41 R 7.97 4.34 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 42 R 8.55 4.79 0.00 1.94 1.88 0.00 3.05 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 43 H 8.33 5.09 0.00 3.21 3.14 0.00 5.87 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 9.04 4.26 0.00 3.55 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.33 3.47 0.00 1.29 1.65 0.00 2.93 0.00 0.00 2.86 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.78 0.00 46 R 7.04 4.46 0.00 1.99 1.79 0.00 3.14 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 47 T 8.26 3.17 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 K 7.93 4.45 0.00 1.65 1.64 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.43 7.81 49 L 8.45 4.13 0.00 1.61 1.59 0.97 1.15 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 50 G 8.22 3.67 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 0.00 0.00 0.00 51 F 8.10 4.85 0.00 3.06 2.89 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