NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2759 8.3149 120.1344 56.1818 33.4728 175.3721 2 K 4.3084 8.3998 122.9509 53.9693 33.4322 171.0255 3 V 4.5311 8.4626 119.8546 60.4119 34.9884 174.6909 4 C 4.2979 8.6580 119.5022 56.9153 40.6697 173.7419 5 A 4.3799 8.2886 127.1651 50.4134 17.8409 176.3992 6 C 3.9176 8.6335 121.6616 60.1402 31.8640 172.2624 7 P 4.5672 0.0000 0.0000 62.4203 31.8048 176.1019 8 K 4.2621 8.3530 116.1518 56.5795 32.1514 177.4269 9 I 3.8483 7.5478 119.5623 60.9352 38.5007 174.3648 10 L 4.7981 7.9463 123.8773 54.7070 43.2843 175.8147 11 K 3.7289 8.6140 113.5243 56.9522 28.7857 172.3194 12 P 4.8700 0.0000 0.0000 62.9555 33.5729 176.2499 13 V 4.8508 8.9241 112.5229 58.7774 36.8500 173.7249 14 C 5.2834 9.1030 122.0313 54.8740 45.1856 173.8469 15 G 4.2687 9.2746 114.0783 45.9754 0.0000 173.8708 16 S 4.4893 8.9861 114.0525 59.3914 62.4958 174.2743 17 D 4.4646 8.0883 117.9251 55.7081 41.3208 176.1760 18 G 3.8888 8.3518 106.4630 46.4494 0.0000 172.9678 19 R 4.6625 7.7779 117.6532 54.1203 34.0264 174.1508 20 T 4.7454 8.0790 119.7797 63.4971 69.6180 173.8730 21 Y 4.8166 8.9298 121.9304 56.0148 41.8874 176.6428 22 A 4.0373 8.9690 125.6087 55.0984 18.7177 176.4974 23 N 4.8839 7.7685 112.5931 51.3367 42.3148 174.9294 24 S 4.0770 8.6651 115.1029 61.7109 62.5611 176.0630 25 C 4.0420 8.1386 119.7216 62.6557 27.2421 176.0950 26 I 3.7669 7.4905 120.7165 64.1017 36.9742 177.8929 27 A 2.8863 7.4470 121.0036 55.0072 17.9529 179.6650 28 R 3.9921 7.5671 117.3249 58.9724 30.0097 178.2372 29 C 4.4893 7.7934 115.6974 58.2181 43.7002 173.9576 30 N 4.7299 7.4641 115.0574 52.8721 38.8472 175.5500 31 G 3.8467 7.8217 108.7674 45.4510 0.0000 173.9875 32 V 4.1952 7.4980 120.2880 61.9960 33.4272 174.7597 33 S 4.8347 8.1766 117.5673 55.9268 66.3788 173.0735 34 I 3.9547 8.2456 121.5453 61.5863 38.0369 173.7568 35 K 4.4780 8.9070 127.6594 57.4468 33.8877 175.5230 36 S 4.9076 8.4094 112.3007 56.5686 66.7581 171.7930 37 E 4.7205 8.7450 119.6615 55.1098 31.3025 175.7787 38 G 3.9960 8.4537 108.4974 44.6838 0.0000 173.0295 39 S 4.2867 8.3977 113.7733 58.2661 62.7097 174.4115 40 C 4.4819 8.5379 128.5128 55.3585 42.5069 171.3875 41 P 4.5889 0.0000 0.0000 62.5412 31.7735 177.1694 42 T 3.6970 8.1674 114.6749 64.3815 68.4199 174.9451 43 G 3.8041 7.2142 108.2860 45.3124 0.0000 174.2883 44 I 3.8931 7.6834 125.7219 61.5996 37.1134 175.7364 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 K 8.31 4.28 0.00 1.75 1.83 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.53 7.81 2 K 8.40 4.31 0.00 1.80 1.73 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.55 7.81 3 V 8.46 4.53 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 0.64 0.00 0.00 0.95 0.00 0.00 4 C 8.66 4.30 0.00 3.00 3.06 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 5 A 8.29 4.38 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 6 C 8.63 3.92 0.00 2.97 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 0.00 7 P 0.00 4.57 0.00 2.23 2.06 0.00 3.83 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 2.00 1.99 0.00 8 K 8.35 4.26 0.00 1.77 1.88 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 9 I 7.55 3.85 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.96 0.00 0.00 10 L 7.95 4.80 0.00 1.74 1.66 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.61 3.73 0.00 1.90 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.41 7.81 12 P 0.00 4.87 0.00 2.12 2.22 0.00 3.64 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 2.07 2.00 0.00 13 V 8.92 4.85 2.29 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 0.94 0.00 0.00 1.05 0.00 0.00 14 C 9.10 5.28 0.00 2.99 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 15 G 9.27 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 0.00 0.00 0.00 0.00 16 S 8.99 4.49 0.00 3.92 3.89 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 17 D 8.09 4.46 0.00 2.73 2.80 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 0.00 0.00 0.00 18 G 8.35 3.89 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 0.00 19 R 7.78 4.66 0.00 1.86 1.63 0.00 3.10 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.24 0.00 20 T 8.08 4.75 4.08 0.00 0.00 0.00 0.00 0.00 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 21 Y 8.93 4.82 0.00 2.86 2.91 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 22 A 8.97 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.77 4.88 0.00 2.71 2.65 0.00 0.00 7.00 8.36 0.00 0.00 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 S 8.67 4.08 0.00 4.04 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 25 C 8.14 4.04 0.00 2.98 3.03 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 26 I 7.49 3.77 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.48 1.07 0.00 0.00 27 A 7.45 2.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.57 3.99 0.00 2.00 1.94 0.00 3.09 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 29 C 7.79 4.49 0.00 3.02 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 30 N 7.46 4.73 0.00 2.87 2.87 0.00 0.00 7.35 7.64 0.00 0.00 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 G 7.82 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 32 V 7.50 4.20 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 1.05 0.00 0.00 1.02 0.00 0.00 33 S 8.18 4.83 0.00 3.86 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 34 I 8.25 3.95 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.08 0.90 0.00 0.00 35 K 8.91 4.48 0.00 1.85 1.86 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.35 7.81 36 S 8.41 4.91 0.00 3.92 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.72 0.00 2.09 1.93 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 2.19 2.34 0.00 38 G 8.45 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.29 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.54 4.48 0.00 2.98 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 41 P 0.00 4.59 0.00 2.25 2.17 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 42 T 8.17 3.70 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 1.20 0.00 0.00 43 G 7.21 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.68 3.89 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.91 0.00 0.00