NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7123 8.4249 119.2049 53.3932 40.1061 173.0108 2 K 4.6747 8.0673 120.7068 53.7311 36.5698 174.5439 3 A 4.3044 9.3644 124.8794 52.3646 20.2662 176.6319 4 S 5.1916 8.8870 116.8154 56.3231 66.7438 173.7372 5 V 4.2451 8.5371 122.3387 63.1122 32.4433 175.0799 6 V 4.9059 8.8117 127.0305 60.6328 35.2372 174.3406 7 A 4.5335 8.9423 129.8979 52.4175 18.9346 177.3701 8 N 4.7743 9.1654 121.4868 54.0318 39.5636 174.1215 9 Q 4.6020 7.5723 113.7215 55.5130 31.5009 173.5496 10 L 4.1628 8.5869 122.2351 55.7305 42.8424 176.0242 11 I 4.4139 8.6469 127.4850 58.8970 39.1466 173.7155 12 P 4.6840 0.0000 0.0000 61.7675 32.7535 176.0829 13 I 3.6939 8.2409 121.6166 63.0860 38.1104 175.7411 14 N 4.4979 8.7886 122.9874 53.8797 36.9303 174.4025 15 T 4.3133 7.7397 116.0528 63.0443 69.9129 173.8609 16 A 4.6748 8.4780 127.6907 51.4864 19.3987 177.3535 17 L 4.2675 9.1863 124.0072 55.0542 43.1078 176.4964 18 T 4.8962 8.2624 111.7818 59.4923 72.4512 174.8759 19 L 4.0004 8.5393 121.3197 57.8760 41.7822 179.6713 20 I 3.8017 7.6787 117.1281 63.5798 38.2704 176.2837 21 M 4.1826 8.0579 119.0958 56.7640 32.1531 175.1475 22 M 5.1727 7.8325 118.2120 53.4154 34.3496 175.5383 23 K 4.5584 8.8398 123.9878 55.3884 35.9292 175.1322 24 A 5.1682 8.2616 120.7809 50.3542 21.4430 175.3735 25 E 4.6859 9.0324 120.8775 54.6760 34.8772 174.9435 26 V 4.2033 8.3441 122.6480 62.6892 31.8661 175.5659 27 V 4.6439 8.2901 120.2701 59.7617 35.7545 174.9073 28 T 4.6125 8.0609 110.2395 59.0731 71.2736 172.1933 29 P 4.5004 0.0000 0.0000 62.1467 32.3596 175.2722 30 M 4.1840 8.4171 118.5702 55.5106 32.9079 175.6694 31 G 4.3614 8.4358 114.3549 44.8023 0.0000 172.5757 32 I 3.9129 8.1629 121.2133 61.1372 38.2200 174.4421 33 P 4.7265 0.0000 0.0000 62.5120 32.1211 177.4064 34 A 3.9549 8.9647 125.2376 55.4282 18.0352 180.1350 35 E 4.0365 8.1734 115.5879 59.1267 29.8276 178.4215 36 E 4.2485 8.4933 117.9114 57.3357 29.7694 178.4515 37 I 3.6794 7.7703 121.6408 64.2119 37.0722 176.3018 38 P 4.3926 0.0000 0.0000 65.6505 31.2294 178.1095 39 K 4.1822 7.9796 116.9475 58.7844 32.3622 178.6467 40 L 4.2406 7.9204 119.2733 55.8285 41.5613 177.3747 41 V 3.8389 6.6892 118.0928 64.5864 31.7350 175.7055 42 G 4.0658 9.1799 116.2304 45.4397 0.0000 173.6204 43 M 4.4121 8.0806 119.6137 55.1910 33.4801 175.8140 44 Q 4.9554 8.5454 120.6632 55.1202 31.2744 175.4130 45 V 4.5349 8.3545 115.9597 60.8722 32.9428 176.3052 46 N 4.8974 9.0452 121.0126 52.8265 38.4081 174.2294 47 R 4.5920 7.4935 113.8629 55.0836 32.2198 174.4541 48 A 4.2988 8.5963 122.1621 52.2317 19.4521 177.6249 49 V 4.2108 8.7607 121.7096 60.1735 33.5704 173.2994 50 P 4.6622 0.0000 0.0000 61.7723 32.7442 175.8272 51 L 4.0023 8.4715 123.2404 57.2724 42.1191 177.8039 52 G 3.9739 9.0532 114.0451 45.5223 0.0000 173.4949 53 T 4.2552 7.7299 117.4813 63.2728 69.8641 174.2693 54 T 4.4291 8.3745 122.8622 63.3194 69.4620 173.8582 55 L 4.2161 8.9538 129.6713 54.8943 43.3072 175.8209 56 M 4.9023 8.3819 125.0834 52.6235 34.9472 174.9772 57 P 3.9789 0.0000 0.0000 65.7210 31.6196 178.5331 58 D 4.5220 7.9630 115.7664 55.6196 39.6796 176.8061 59 M 4.4208 8.0476 118.7336 55.2751 32.4205 175.5540 60 V 4.6472 7.3180 119.8215 60.3195 33.2879 174.9976 61 K 4.0409 8.8562 127.9252 57.8728 32.3334 176.6664 62 N 4.2751 8.8639 118.4715 54.0682 36.1066 173.1952 63 Y 4.2932 7.6426 119.6311 56.8009 39.6468 175.2922 64 E 4.1591 7.7921 125.1515 56.5056 30.3733 175.5742 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 N 8.42 4.71 0.00 2.70 2.78 0.00 0.00 6.77 5.80 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 2 K 8.07 4.67 0.00 1.70 1.64 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.51 7.81 3 A 9.36 4.30 1.21 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 0.00 0.00 0.00 4 S 8.89 5.19 0.00 3.72 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 5 V 8.54 4.25 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 1.04 0.00 0.00 1.00 0.00 0.00 6 V 8.81 4.91 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 1.08 0.00 0.00 0.98 0.00 0.00 7 A 8.94 4.53 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 8 N 9.17 4.77 0.00 2.75 2.98 0.00 0.00 7.06 7.36 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 9 Q 7.57 4.60 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 10 L 8.59 4.16 0.00 1.67 1.62 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.65 4.41 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.90 0.00 0.00 12 P 0.00 4.68 0.00 2.07 1.96 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 13 I 8.24 3.69 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 1.41 0.72 0.91 0.00 0.00 14 N 8.79 4.50 0.00 2.95 2.97 0.00 0.00 7.06 7.24 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 15 T 7.74 4.31 4.40 0.00 0.00 0.00 0.00 0.00 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 16 A 8.48 4.67 1.23 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 0.00 0.00 17 L 9.19 4.27 0.00 1.74 1.60 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.26 4.90 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 1.27 0.00 0.00 19 L 8.54 4.00 0.00 1.73 1.76 0.92 0.62 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 20 I 7.68 3.80 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 1.41 0.74 0.91 0.00 0.00 21 M 8.06 4.18 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 22 M 7.83 5.17 0.00 1.87 1.97 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 2.50 2.42 0.00 23 K 8.84 4.56 0.00 1.82 1.94 0.00 1.24 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.37 7.81 24 A 8.26 5.17 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 25 E 9.03 4.69 0.00 1.89 1.78 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 2.22 2.25 0.00 26 V 8.34 4.20 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 27 V 8.29 4.64 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 0.90 0.00 0.00 1.02 0.00 0.00 28 T 8.06 4.61 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 1.21 0.00 0.00 29 P 0.00 4.50 0.00 2.20 2.12 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 30 M 8.42 4.18 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 31 G 8.44 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.16 3.91 1.75 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.61 0.86 0.00 0.00 33 P 0.00 4.73 0.00 2.10 1.98 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 34 A 8.96 3.95 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 35 E 8.17 4.04 0.00 1.95 2.05 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 2.33 2.48 0.00 36 E 8.49 4.25 0.00 2.11 2.10 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 0.00 2.53 2.65 0.00 37 I 7.77 3.68 1.88 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 1.57 0.95 0.91 0.00 0.00 38 P 0.00 4.39 0.00 2.23 2.19 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 39 K 7.98 4.18 0.00 1.96 1.95 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.55 7.81 40 L 7.92 4.24 0.00 1.90 1.72 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.69 3.84 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 0.86 0.00 0.00 1.00 0.00 0.00 42 G 9.18 4.07 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 0.00 0.00 0.00 43 M 8.08 4.41 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 44 Q 8.55 4.96 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 45 V 8.35 4.53 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 0.83 0.00 0.00 1.01 0.00 0.00 46 N 9.05 4.90 0.00 2.82 3.04 0.00 0.00 6.91 8.09 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 47 R 7.49 4.59 0.00 1.79 1.89 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 48 A 8.60 4.30 1.24 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 49 V 8.76 4.21 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 1.13 0.00 0.00 0.97 0.00 0.00 50 P 0.00 4.66 0.00 2.10 1.95 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 51 L 8.47 4.00 0.00 1.57 1.60 1.00 1.07 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 52 G 9.05 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 0.00 0.00 0.00 53 T 7.73 4.26 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 1.19 0.00 0.00 54 T 8.37 4.43 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 1.22 0.00 0.00 55 L 8.95 4.22 0.00 1.70 1.46 0.86 0.71 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 56 M 8.38 4.90 0.00 2.11 1.94 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 2.56 2.60 0.00 57 P 0.00 3.98 0.00 2.24 2.33 0.00 3.58 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 2.16 2.11 0.00 58 D 7.96 4.52 0.00 2.79 2.81 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 59 M 8.05 4.42 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 60 V 7.32 4.65 1.98 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 1.13 0.00 0.00 0.75 0.00 0.00 61 K 8.86 4.04 0.00 1.77 1.76 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.56 7.81 62 N 8.86 4.28 0.00 2.91 2.95 0.00 0.00 6.96 7.48 0.00 0.00 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 Y 7.64 4.29 0.00 2.93 2.95 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 0.00 0.00 0.00 64 E 7.79 4.16 0.00 1.75 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00