NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5242 8.3049 120.2614 55.2237 33.6075 174.2623 2 E 4.4134 8.5219 120.8429 54.0697 33.1774 173.5388 3 Q 4.9286 8.5446 120.4657 54.1084 32.4278 174.4132 4 K 4.7613 9.4540 125.0165 54.8764 36.1682 174.6252 5 T 5.0602 8.5977 122.1160 61.9121 70.5828 173.5663 6 L 4.6977 9.0788 126.7473 53.1870 44.5173 175.2234 7 Q 4.8177 8.5045 123.8012 54.9782 30.5802 174.2720 8 V 4.9149 8.8996 126.6363 61.1940 34.4709 174.3627 9 E 4.6779 9.4241 127.0060 55.8716 31.9245 177.1314 10 G 4.2139 9.1637 110.3734 45.6459 0.0000 173.9644 11 M 4.0550 7.5954 119.7489 55.1006 32.4246 176.1218 12 S 4.6515 8.3531 115.6399 57.7163 65.1565 173.2854 13 C 4.6166 7.3445 115.1825 56.6074 33.1760 174.1988 14 Q 4.1028 8.4400 118.5522 58.6859 28.1712 178.4548 15 H 4.2921 8.0852 117.5487 58.8513 28.7959 177.2883 16 C 4.3255 7.9952 119.5433 62.1889 27.9791 175.9126 17 V 3.4967 7.5745 119.5756 66.0526 31.0013 178.0533 18 K 3.9544 8.1516 119.0066 59.3027 32.0064 178.5959 19 A 4.0262 8.2133 121.2437 55.1784 18.2395 179.8579 20 V 3.6084 7.9785 116.7231 66.1828 31.2920 178.1693 21 E 3.9632 8.5577 118.7991 59.6201 29.1283 179.5323 22 T 3.9532 8.2949 116.4133 66.6623 68.3343 176.9994 23 S 4.1446 7.8771 114.9902 61.4378 63.3864 176.3502 24 V 3.8302 8.3070 122.4654 65.4340 31.1162 178.0306 25 G 3.7553 8.1959 104.0912 46.6847 0.0000 174.6968 26 E 4.2703 7.7264 119.1365 56.3487 30.4051 176.7922 27 L 4.1270 7.3972 121.2533 53.9130 42.3312 176.0580 28 D 4.5341 8.5592 123.2547 55.8371 41.6751 176.0330 29 G 4.1133 9.0457 114.2959 45.4679 0.0000 173.6436 30 V 4.2761 7.3953 119.5287 62.9369 32.0125 175.4967 31 S 4.8131 8.9526 120.5146 59.1920 65.0713 173.9797 32 A 4.7521 7.6280 120.5437 50.9449 22.9210 175.8318 33 V 4.9380 8.0235 119.2998 60.7513 34.3212 173.9656 34 H 5.2937 9.2596 120.6043 52.9125 33.5510 172.3248 35 V 4.7132 8.3567 119.5113 61.2401 34.6604 174.6422 36 N 4.6265 9.0835 127.2152 51.9842 39.2289 175.1171 37 L 3.9420 8.4781 129.3971 57.9943 42.6765 179.0205 38 E 3.9123 8.3282 116.5928 58.9998 29.4441 177.5929 39 A 4.2962 8.3213 119.1551 51.4424 19.6940 176.9409 40 G 3.9051 7.7060 103.9558 46.5501 0.0000 173.1786 41 K 5.0256 7.8453 118.2105 54.1750 35.1043 176.0167 42 V 4.6727 8.7754 125.1196 61.2951 33.9662 173.8355 43 D 5.4404 9.0902 129.2932 53.0960 42.4802 176.1361 44 V 5.2097 8.9972 122.9866 59.9081 35.3882 174.5063 45 S 5.3787 8.9364 117.6128 56.8398 66.0861 172.7835 46 F 5.1570 8.4854 116.0711 56.0894 41.8090 172.7413 47 D 4.9780 9.2202 120.8795 53.1947 41.1347 176.9317 48 A 5.2639 8.5822 128.8863 53.7935 18.6781 177.8293 49 D 4.5899 8.5407 115.3481 55.8358 41.0836 177.2598 50 K 4.5890 8.0543 116.9988 56.3504 34.6525 176.6198 51 V 4.6265 7.5538 116.8774 59.1326 34.3295 173.6216 52 S 4.9897 8.5263 116.9937 56.3317 66.5406 175.3681 53 V 3.2805 8.1986 121.7327 66.3458 31.0614 178.1641 54 K 3.8954 7.9426 118.4860 59.4480 32.0262 178.2013 55 D 4.3288 8.1906 119.3296 57.4266 40.7279 178.9326 56 I 3.5802 7.5725 119.8810 64.3255 37.0291 178.3555 57 A 4.0008 8.1807 121.8606 55.3303 18.0960 179.4575 58 D 4.2556 8.5828 117.6281 57.3448 40.6256 178.8104 59 A 3.9878 7.9703 120.6704 55.1671 18.6491 179.5059 60 I 3.9287 7.8215 118.3686 64.6838 37.2235 178.6020 61 E 4.8755 8.4319 120.8856 58.8920 29.0289 179.0009 62 D 4.4013 8.2963 118.4367 56.6251 40.9001 177.6598 63 Q 4.2801 7.6999 116.7121 55.6951 29.1315 176.4031 64 G 3.6822 7.8458 108.7538 44.8945 0.0000 173.0388 65 Y 4.8773 7.2321 116.8318 56.4487 40.8759 173.8948 66 D 4.9164 8.7415 121.5189 53.0628 43.4182 175.1162 67 V 4.8270 8.3093 125.0963 60.6966 33.1823 175.2515 68 A 4.0229 9.4730 133.2186 53.7049 18.9751 178.1997 69 K 5.1922 7.7149 122.3933 53.6768 31.7709 172.8173 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 8.30 4.52 0.00 1.80 1.98 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 E 8.52 4.41 0.00 1.16 1.35 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 0.00 1.99 2.02 0.00 3 Q 8.54 4.93 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 4 K 9.45 4.76 0.00 2.04 1.86 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.50 7.81 5 T 8.60 5.06 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 1.24 0.00 0.00 6 L 9.08 4.70 0.00 1.54 1.56 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.50 4.82 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 8 V 8.90 4.91 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 0.83 0.00 0.00 0.93 0.00 0.00 9 E 9.42 4.68 0.00 1.92 1.84 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 2.25 2.39 0.00 10 G 9.16 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 0.00 0.00 0.00 0.00 11 M 7.60 4.05 0.00 1.72 1.80 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.19 0.00 12 S 8.35 4.65 0.00 3.94 3.95 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 13 C 7.34 4.62 0.00 3.13 3.07 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 14 Q 8.44 4.10 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 15 H 8.09 4.29 0.00 3.27 3.36 0.00 5.82 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 16 C 8.00 4.33 0.00 3.01 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 17 V 7.57 3.50 2.28 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 1.05 0.00 0.00 0.93 0.00 0.00 18 K 8.15 3.95 0.00 2.02 1.94 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 19 A 8.21 4.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.98 3.61 2.15 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 1.09 0.00 0.00 0.90 0.00 0.00 21 E 8.56 3.96 0.00 2.07 1.96 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 2.42 2.43 0.00 22 T 8.29 3.95 4.30 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 1.25 0.00 0.00 23 S 7.88 4.14 0.00 4.05 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 0.00 24 V 8.31 3.83 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 25 G 8.20 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.73 4.27 0.00 1.95 2.01 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 2.33 2.51 0.00 27 L 7.40 4.13 0.00 1.81 1.56 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.56 4.53 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.05 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 0.00 0.00 0.00 30 V 7.40 4.28 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 0.87 0.00 0.00 0.96 0.00 0.00 31 S 8.95 4.81 0.00 3.85 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 32 A 7.63 4.75 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 33 V 8.02 4.94 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 0.70 0.00 0.00 0.91 0.00 0.00 34 H 9.26 5.29 0.00 3.13 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.36 4.71 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 0.72 0.00 0.00 0.90 0.00 0.00 36 N 9.08 4.63 0.00 2.77 2.70 0.00 0.00 6.62 6.21 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 37 L 8.48 3.94 0.00 1.72 1.62 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.33 3.91 0.00 2.10 1.99 0.00 0.00 0.00 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 2.36 0.00 39 A 8.32 4.30 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 3.91 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 0.00 0.00 0.00 41 K 7.85 5.03 0.00 1.70 1.71 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.49 7.81 42 V 8.78 4.67 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 0.86 0.00 0.00 0.89 0.00 0.00 43 D 9.09 5.44 0.00 2.78 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 44 V 9.00 5.21 2.12 0.00 0.00 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 1.02 0.00 0.00 45 S 8.94 5.38 0.00 3.86 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 46 F 8.49 5.16 0.00 3.05 3.13 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 0.00 0.00 0.00 47 D 9.22 4.98 0.00 2.76 2.67 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 48 A 8.58 5.26 1.39 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 0.00 0.00 0.00 49 D 8.54 4.59 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.05 4.59 0.00 1.88 1.98 0.00 1.82 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.36 7.81 51 V 7.55 4.63 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 0.82 0.00 0.00 0.86 0.00 0.00 52 S 8.53 4.99 0.00 4.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.28 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 1.10 0.00 0.00 1.06 0.00 0.00 54 K 7.94 3.90 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.51 7.81 55 D 8.19 4.33 0.00 2.78 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 56 I 7.57 3.58 1.82 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.34 0.82 0.00 0.00 57 A 8.18 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.26 0.00 2.88 2.71 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 0.00 0.00 0.00 0.00 59 A 7.97 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.82 3.93 2.04 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 1.56 0.84 1.04 0.00 0.00 61 E 8.43 4.88 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 62 D 8.30 4.40 0.00 2.81 2.71 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 0.00 0.00 0.00 0.00 63 Q 7.70 4.28 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.53 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 64 G 7.85 3.68 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 0.00 0.00 0.00 65 Y 7.23 4.88 0.00 2.98 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 66 D 8.74 4.92 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.83 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 0.81 0.00 0.00 0.96 0.00 0.00 68 A 9.47 4.02 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 69 K 7.71 5.19 0.00 1.83 1.69 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.05 7.81