NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4120 8.3349 115.4119 58.1157 64.4904 173.6818 6 D 4.4633 7.9087 119.6748 52.9440 41.8126 175.2486 7 T 4.1396 8.9885 112.0668 62.0699 70.3909 173.3920 8 T 4.5911 8.1213 118.9977 60.9674 70.9133 172.3393 9 P 4.5311 0.0000 0.0000 62.4911 32.2050 176.1131 10 C 5.0446 8.5445 118.9359 55.0700 43.8828 173.5542 11 C 4.9900 7.9711 117.0992 55.5116 42.7189 174.2781 12 F 4.7899 8.1703 118.0015 56.5242 40.6963 174.6019 13 A 4.1492 7.4061 120.2729 51.5941 21.6750 176.0567 14 Y 4.8420 8.0746 120.5401 56.3688 39.5733 175.4672 15 I 3.8017 8.4761 123.2731 60.7628 37.9359 175.2877 16 A 3.7903 8.3460 132.4844 55.1859 18.6002 178.9877 17 R 4.4572 7.2610 113.1021 52.6708 32.4057 176.5221 18 P 2.0000 0.0000 0.0000 62.8684 31.4293 177.1197 19 L 3.9128 6.6942 122.5584 53.4160 42.3470 175.1966 20 P 4.1867 0.0000 0.0000 62.6949 30.6905 176.7617 21 R 3.3709 8.7617 125.0603 59.2877 29.8555 177.9983 22 A 4.0945 7.8317 118.3948 54.3470 18.8013 177.4699 23 H 4.5831 8.6161 112.7181 56.3863 29.3764 175.0909 24 I 4.6320 7.2140 121.0787 60.2777 37.9421 175.5909 25 K 4.6789 8.8905 122.1222 57.3288 34.8963 175.1608 26 E 4.9210 7.9058 118.4265 56.2843 34.2712 172.9336 27 Y 5.5048 8.0984 116.6510 57.9550 40.4031 173.4960 28 F 4.7411 7.4759 111.8881 56.2188 40.8139 172.4793 29 Y 4.8166 9.0320 119.7158 57.4979 38.6505 175.6049 30 T 4.4245 8.4065 114.5552 61.2557 70.1282 174.0971 31 S 4.2189 8.8178 116.5729 58.4383 62.8215 175.5086 32 G 3.6703 8.6342 115.3856 48.1767 0.0000 174.8688 33 K 4.0841 7.8592 118.5973 58.5979 32.1162 176.6167 34 C 4.6334 7.8400 116.5917 56.5064 40.9522 173.7466 35 S 4.2734 8.6252 115.1954 60.4245 62.3220 173.8699 36 N 5.0104 7.7262 116.4630 50.4477 40.1852 172.9901 37 P 4.4159 0.0000 0.0000 63.1356 32.3791 175.0883 38 A 4.5780 7.8674 119.5003 51.5204 22.6928 175.0797 39 V 4.1726 8.3125 119.7588 60.8270 34.4219 174.5540 40 V 4.4366 7.8216 128.3381 61.1118 33.0633 174.4286 41 F 4.8313 8.9745 127.7727 56.8019 40.8370 175.1788 42 V 4.8432 8.7889 123.9743 61.3230 33.3219 175.5167 43 T 5.5221 9.0718 119.0646 60.8955 69.9383 175.3389 44 A 4.0526 8.7898 123.3612 54.4701 18.4839 178.0000 45 A 4.5687 7.9922 117.3763 51.6365 19.0789 176.3711 46 N 4.2220 7.9410 113.1073 55.4796 36.9356 173.9945 47 A 4.4535 8.0332 119.8697 51.4232 20.3651 177.4758 48 Q 4.8832 8.8026 122.0292 54.6472 30.0680 175.1391 49 V 4.4231 8.6358 125.6977 61.0015 33.7771 174.4765 50 C 5.0047 8.8790 125.3065 57.2772 40.7176 172.4421 51 A 5.0746 8.9303 123.1974 50.4863 23.2145 175.0758 52 N 3.2530 8.1980 118.9830 51.3271 38.8520 174.3258 53 P 4.1132 0.0000 0.0000 65.3499 31.5430 177.9071 54 E 4.0640 7.8924 115.1777 58.1520 30.3225 183.7741 55 K 4.1835 7.3676 116.8808 55.9531 33.9149 178.3053 56 K 3.9129 8.4284 122.1127 59.4604 32.1338 179.7882 57 W 4.0266 8.0801 116.4993 59.4078 27.9275 178.3672 58 V 2.6698 6.1642 118.3969 65.5097 30.9705 178.1219 59 R 3.7930 7.4317 117.2711 59.2933 29.8867 178.9849 60 E 4.0646 8.9330 118.9711 59.4460 29.3611 178.9778 61 Y 4.2780 8.7786 117.2120 61.2607 37.9532 178.6010 62 I 3.5183 7.7596 120.5235 64.5922 37.3146 177.9799 63 N 4.3133 8.1734 117.0930 56.5889 38.4451 177.3506 64 S 4.1254 8.0802 114.2006 61.3612 62.2960 176.2112 65 L 4.1184 7.9392 120.5916 58.0675 41.5355 179.2469 66 E 4.2125 8.5402 117.4652 59.1227 29.3729 178.7805 67 M 4.2340 7.6792 117.6695 58.2104 32.4581 175.8584 68 S 4.1494 7.5894 115.6713 58.6121 62.8937 173.1837 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 5 S 8.33 4.41 0.00 4.00 4.02 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 6 D 7.91 4.46 0.00 2.76 2.64 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 0.00 0.00 0.00 0.00 7 T 8.99 4.14 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 1.23 0.00 0.00 8 T 8.12 4.59 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 1.23 0.00 0.00 9 P 0.00 4.53 0.00 2.34 2.14 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 10 C 8.54 5.04 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.99 0.00 2.81 2.84 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 0.00 0.00 0.00 0.00 12 F 8.17 4.79 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 13 A 7.41 4.15 1.19 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 0.00 0.00 0.00 14 Y 8.07 4.84 0.00 3.05 2.87 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 15 I 8.48 3.80 2.23 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 1.30 1.09 1.28 0.00 0.00 16 A 8.35 3.79 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 17 R 7.26 4.46 0.00 1.83 1.72 0.00 3.28 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 18 P 0.00 2.00 0.00 1.41 0.74 0.00 3.24 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.57 0.00 19 L 6.69 3.91 0.00 1.46 1.54 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.19 0.00 1.92 2.03 0.00 3.60 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 21 R 8.76 3.37 0.00 1.47 1.80 0.00 2.28 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 22 A 7.83 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.62 4.58 0.00 3.26 3.36 0.00 5.63 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 24 I 7.21 4.63 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.51 1.29 0.00 0.00 25 K 8.89 4.68 0.00 1.75 1.92 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.77 1.44 7.81 26 E 7.91 4.92 0.00 1.98 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 2.31 2.35 0.00 27 Y 8.10 5.50 0.00 2.13 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.48 4.74 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.03 4.82 0.00 2.92 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 30 T 8.41 4.42 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 1.31 0.00 0.00 31 S 8.82 4.22 0.00 3.90 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 32 G 8.63 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 33 K 7.86 4.08 0.00 1.79 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.42 7.81 34 C 7.84 4.63 0.00 3.05 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 35 S 8.63 4.27 0.00 3.95 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 36 N 7.73 5.01 0.00 2.81 2.76 0.00 0.00 6.91 8.02 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 37 P 0.00 4.42 0.00 2.08 2.02 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 38 A 7.87 4.58 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.17 1.61 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 -0.19 0.00 0.00 0.22 0.00 0.00 40 V 7.82 4.44 0.67 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 0.68 0.00 0.00 0.64 0.00 0.00 41 F 8.97 4.83 0.00 3.09 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 42 V 8.79 4.84 2.20 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 1.16 0.00 0.00 1.13 0.00 0.00 43 T 9.07 5.52 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 44 A 8.79 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.57 1.29 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 0.00 0.00 0.00 46 N 7.94 4.22 0.00 2.95 2.94 0.00 0.00 6.80 7.15 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 47 A 8.03 4.45 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.80 4.88 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 49 V 8.64 4.42 2.24 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 1.09 0.00 0.00 1.01 0.00 0.00 50 C 8.88 5.00 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.93 5.07 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 52 N 8.20 3.25 0.00 1.53 2.24 0.00 0.00 6.75 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 53 P 0.00 4.11 0.00 2.18 2.10 0.00 3.28 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 54 E 7.89 4.06 0.00 2.03 1.90 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 2.26 2.15 0.00 55 K 7.37 4.18 0.00 1.32 1.58 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.32 7.81 56 K 8.43 3.91 0.00 1.83 2.11 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.48 7.81 57 W 8.08 4.03 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 6.16 2.67 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 -0.63 0.00 0.00 59 R 7.43 3.79 0.00 1.98 1.90 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 60 E 8.93 4.06 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 61 Y 8.78 4.28 0.00 3.25 3.21 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 62 I 7.76 3.52 1.81 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.49 0.51 0.00 0.00 63 N 8.17 4.31 0.00 2.99 2.92 0.00 0.00 6.73 6.46 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 64 S 8.08 4.13 0.00 3.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.12 0.00 2.02 1.93 1.30 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.54 4.21 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 67 M 7.68 4.23 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 68 S 7.59 4.15 0.00 3.96 3.65 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 0.00 0.00 0.00