NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3149 8.2644 123.5801 53.0773 20.0897 176.0724 2 D 5.4669 7.8845 125.9109 54.1529 39.6700 175.4183 3 T 4.8318 7.8980 106.9087 60.4388 73.1325 172.3719 4 M 4.5543 8.7690 122.0499 54.1966 34.6209 175.2530 5 T 4.6748 8.1825 117.8938 61.8002 71.4770 173.4815 6 F 5.1943 8.7955 126.6233 55.8631 40.5121 175.4175 7 T 4.4805 8.6680 114.8269 61.6542 69.7197 174.0250 8 A 4.7311 8.4136 126.0396 50.3850 22.3452 177.3354 9 K 4.0059 8.7976 121.4487 59.6248 32.7800 177.4587 10 N 4.6358 8.0620 114.7806 52.2111 37.4593 173.6171 11 G 4.0050 7.8651 107.9028 44.4601 0.0000 174.3724 12 N 4.7376 8.9810 122.4550 53.5633 40.2997 173.8913 13 V 4.9090 8.6901 121.7562 60.9127 33.7512 174.4572 14 T 4.8619 8.5307 124.7154 62.2370 70.0817 173.9386 15 F 4.8506 8.8638 128.2431 56.0726 42.7159 173.6075 16 D 4.5863 8.5617 126.0514 53.1641 40.2831 175.7301 17 H 3.3372 7.8551 125.5836 58.5037 30.2863 176.4305 18 K 4.2911 7.7596 122.2894 58.8205 32.1554 178.4491 19 K 3.8751 8.2893 119.8982 59.9083 32.0187 178.5709 20 H 4.1924 8.0905 116.4617 58.8434 28.5162 177.7741 21 Q 3.9725 8.3266 120.2829 59.1405 28.2168 179.1305 22 T 3.9051 7.4974 115.9038 66.2279 68.6799 176.3476 23 I 4.0743 7.4549 112.8871 61.2363 38.4331 176.2247 24 V 4.0807 7.6698 121.6202 60.7600 32.2939 174.8782 25 P 4.1393 0.0000 0.0000 65.7598 31.5399 176.0017 26 D 4.6855 7.6595 115.9720 51.6764 44.6479 175.5789 27 C 4.1649 8.9227 122.9045 63.0439 28.0868 176.2897 28 A 4.7901 8.5235 123.5001 54.2797 17.6006 179.5401 29 V 3.5560 7.5109 116.4916 66.0912 31.5989 177.0806 30 C 4.6105 8.0594 112.9041 60.0354 29.6644 174.5149 31 H 4.7963 8.0848 115.1662 55.7533 30.5505 176.5226 32 G 3.7763 8.4890 109.9074 45.5244 0.0000 175.4459 33 K 3.9010 8.9760 120.6337 59.2378 32.3926 177.7995 34 T 4.7128 7.4344 112.3553 60.8015 72.2458 171.8564 35 P 4.1372 0.0000 0.0000 61.9692 31.9600 176.3376 36 G 3.8838 7.7605 109.2722 45.3243 0.0000 172.0445 37 K 3.9195 8.5481 120.4741 56.5017 32.7143 176.9968 38 I 4.0802 8.1099 126.9798 59.5602 36.3172 174.5179 39 E 4.0222 8.5675 126.3413 57.8816 29.6405 177.4831 40 G 3.9332 8.9556 114.0257 44.9869 0.0000 173.2315 41 F 4.0312 7.9282 122.2139 57.5213 40.2284 175.5051 42 G 3.4614 6.5113 112.2292 45.0163 0.0000 171.8717 43 K 3.4443 7.9757 119.2911 59.8008 32.1672 179.6181 44 E 3.8563 7.8452 117.8473 59.7044 29.5915 179.2705 45 M 3.9751 7.6778 117.8559 58.2748 32.0702 178.5040 46 A 3.9303 7.6787 121.0765 55.4109 18.3145 179.0940 47 H 4.5740 8.2925 113.1829 58.2653 29.6146 177.0993 48 G 4.1527 8.0076 114.3061 45.1455 0.0000 176.8157 49 K 4.1499 8.6250 121.4796 58.9984 32.3575 178.4852 50 S 4.2931 7.8257 114.3678 60.9347 62.3628 173.7551 51 C 4.5524 7.1396 115.5549 59.6531 31.5484 175.5970 52 K 3.9656 8.9020 121.2434 59.8685 32.1181 179.5183 53 G 3.6245 8.4790 106.3485 47.8629 0.0000 175.1891 54 C 4.1195 7.9683 120.5335 62.6575 31.6494 175.1584 55 H 5.0092 7.8021 119.1836 58.3869 28.0232 177.5110 56 E 3.9229 8.5805 121.3824 59.3459 29.3442 178.5134 57 E 3.9240 8.2544 118.6315 59.1670 29.7747 177.1820 58 M 4.3288 8.3232 115.5840 54.4322 32.3969 175.9319 59 K 3.9088 7.6875 117.1483 56.4548 30.5681 175.3535 60 K 4.3418 8.1450 118.1075 56.3752 35.4038 175.6342 61 G 3.9756 8.7974 111.8849 43.7673 0.0000 170.8742 62 P 4.7635 0.0000 0.0000 62.8258 31.7020 176.3586 63 T 4.5717 8.7234 110.4824 60.9482 70.7252 173.9211 64 K 4.5309 8.2973 122.5661 54.9465 33.9731 177.0039 65 C 4.0415 8.9567 120.6496 63.2449 28.0927 176.7667 66 G 3.8539 7.9941 105.4790 47.0541 0.0000 174.4877 67 E 4.1279 8.0540 119.3755 58.9494 29.9400 177.4925 68 C 4.5412 8.1965 115.2746 61.6901 30.3138 173.6675 69 H 4.9925 8.6100 118.4927 54.9699 29.5016 174.5216 70 K 4.6588 8.6341 123.4523 54.3776 34.6182 176.8626 71 K 4.1668 8.7176 123.4256 56.6356 32.1982 176.6651 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 A 8.26 4.31 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 2 D 7.88 5.47 0.00 2.82 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 3 T 7.90 4.83 4.17 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 0.00 0.00 1.16 0.00 0.00 4 M 8.77 4.55 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 5 T 8.18 4.67 4.20 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 1.21 0.00 0.00 6 F 8.80 5.19 0.00 2.99 2.96 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 7 T 8.67 4.48 4.29 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 1.26 0.00 0.00 8 A 8.41 4.73 1.41 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 0.00 0.00 9 K 8.80 4.01 0.00 1.88 1.97 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 10 N 8.06 4.64 0.00 2.80 2.90 0.00 0.00 6.16 7.00 0.00 0.00 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 G 7.87 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 12 N 8.98 4.74 0.00 2.72 2.79 0.00 0.00 6.61 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 13 V 8.69 4.91 2.32 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 1.50 0.00 0.00 0.92 0.00 0.00 14 T 8.53 4.86 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 1.18 0.00 0.00 15 F 8.86 4.85 0.00 2.91 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.59 0.00 2.66 2.43 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 17 H 7.86 3.34 0.00 3.04 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.76 4.29 0.00 1.81 1.72 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.30 7.81 19 K 8.29 3.88 0.00 2.00 1.81 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.42 7.81 20 H 8.09 4.19 0.00 3.29 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.33 3.97 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 22 T 7.50 3.91 4.37 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 1.19 0.00 0.00 23 I 7.45 4.07 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.56 0.93 0.00 0.00 24 V 7.67 4.08 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 1.03 0.00 0.00 1.03 0.00 0.00 25 P 0.00 4.14 0.00 2.23 2.19 0.00 3.87 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 26 D 7.66 4.69 0.00 2.52 2.50 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 27 C 8.92 4.16 0.00 3.03 3.02 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 28 A 8.52 4.79 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.51 3.56 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 0.90 0.00 0.00 0.99 0.00 0.00 30 C 8.06 4.61 0.00 2.92 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 31 H 8.08 4.80 0.00 3.26 3.48 0.00 5.77 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 32 G 8.49 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 3.90 0.00 1.73 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 34 T 7.43 4.71 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 1.20 0.00 0.00 35 P 0.00 4.14 0.00 1.93 1.77 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 36 G 7.76 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 0.00 0.00 0.00 37 K 8.55 3.92 0.00 1.74 1.74 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 38 I 8.11 4.08 1.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.92 0.00 0.00 39 E 8.57 4.02 0.00 1.93 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 2.30 2.28 0.00 40 G 8.96 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 41 F 7.93 4.03 0.00 2.98 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 42 G 6.51 3.46 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 0.00 43 K 7.98 3.44 0.00 1.66 1.67 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.35 7.81 44 E 7.85 3.86 0.00 1.99 1.91 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 2.34 2.40 0.00 45 M 7.68 3.98 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 46 A 7.68 3.93 1.04 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 47 H 8.29 4.57 0.00 3.12 3.30 0.00 5.67 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 48 G 8.01 4.15 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 0.00 0.00 0.00 49 K 8.62 4.15 0.00 1.76 1.89 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 50 S 7.83 4.29 0.00 4.04 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 51 C 7.14 4.55 0.00 3.14 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 52 K 8.90 3.97 0.00 1.81 2.01 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 53 G 8.48 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.12 0.00 3.02 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 55 H 7.80 5.01 0.00 3.37 3.51 0.00 5.70 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 56 E 8.58 3.92 0.00 2.08 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 0.00 2.32 2.37 0.00 57 E 8.25 3.92 0.00 2.04 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 2.34 2.29 0.00 58 M 8.32 4.33 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.79 0.00 59 K 7.69 3.91 0.00 1.89 1.89 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.51 7.81 60 K 8.14 4.34 0.00 1.72 1.61 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.38 7.81 61 G 8.80 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.76 0.00 2.25 2.10 0.00 3.32 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 63 T 8.72 4.57 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 1.36 0.00 0.00 64 K 8.30 4.53 0.00 1.90 1.76 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.55 7.81 65 C 8.96 4.04 0.00 3.01 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 66 G 7.99 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 67 E 8.05 4.13 0.00 2.18 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 0.00 2.36 2.30 0.00 68 C 8.20 4.54 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 69 H 8.61 4.99 0.00 3.18 3.49 0.00 5.55 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.63 4.66 0.00 1.64 1.71 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.54 7.81 71 K 8.72 4.17 0.00 1.76 1.72 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.38 7.81