NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4098 8.2893 120.3253 54.7690 33.5681 175.6508 2 S 4.1691 8.2393 116.3813 57.9724 64.9723 173.8933 3 S 4.1301 8.8632 119.9305 61.9668 62.9963 177.9443 4 E 3.9225 8.1523 121.3185 59.3770 29.3943 178.0633 5 Y 3.8064 8.2175 119.3154 60.6303 38.9219 177.7676 6 A 4.1347 8.6217 124.5148 55.7388 18.4714 180.4220 7 K 3.9663 8.4033 122.5001 60.1438 31.8488 181.4073 8 Q 4.1380 8.2290 119.8305 58.4246 28.5797 178.5603 9 L 3.8637 8.0924 122.0217 58.0109 42.0820 179.2826 10 G 3.7619 8.4644 106.8419 47.1617 0.0000 175.5292 11 A 3.9806 7.9056 123.1144 54.9716 18.3169 179.9503 12 K 3.8861 7.9955 116.9558 59.3504 32.1181 179.6543 13 L 3.8965 7.9479 119.4847 57.6698 41.4858 179.5561 14 R 4.1277 8.4549 119.8829 58.6813 30.0113 178.3185 15 A 3.9086 8.1467 120.8391 55.3839 18.3670 179.6413 16 I 3.5064 7.7274 118.3632 64.2909 36.9383 178.6029 17 R 3.4769 7.4116 119.5301 59.5769 29.8893 178.7108 18 T 3.8699 7.9629 109.5680 64.9558 68.4522 176.1407 19 Q 3.9939 8.2512 120.6802 58.0461 28.6684 177.9066 20 Q 4.5957 7.4031 115.3012 55.5328 29.4237 175.7830 21 G 3.9062 8.0507 106.9794 47.1208 0.0000 173.8081 22 L 4.6833 7.6235 119.1817 52.7044 43.6271 177.5366 23 S 4.6869 8.2944 118.1723 57.0952 66.2892 175.2450 24 L 4.1094 8.3375 121.0729 58.1594 41.2129 179.2459 25 H 4.3769 8.3476 117.9755 59.2444 29.8950 177.3107 26 G 3.6827 8.3143 107.6938 47.8207 0.0000 175.8266 27 V 3.9506 8.0113 120.4913 65.9487 31.6092 177.7674 28 E 4.4567 8.1674 120.3286 58.7268 29.4498 178.7691 29 E 3.9198 8.4279 118.7131 59.4292 29.4490 179.1995 30 K 4.1176 8.4544 118.8212 59.0716 32.4266 177.8381 31 S 4.5795 8.3517 112.9287 57.3487 62.8843 174.2597 32 Q 3.5326 8.9660 119.3001 57.2200 26.5394 174.8922 33 G 3.9000 8.5041 105.9373 45.2642 0.0000 175.5345 34 R 3.4596 7.6137 120.1247 58.1236 30.1855 176.3418 35 W 4.9597 7.4513 120.3321 54.7330 28.8485 175.1905 36 K 4.4890 8.3470 123.1953 55.6739 33.4953 177.4689 37 A 4.0217 9.3573 126.1686 55.6104 18.3373 180.5741 38 V 3.4859 7.6975 116.0496 65.9286 31.6580 178.3800 39 V 3.2530 7.5432 117.5416 65.9093 31.4756 178.0213 40 V 3.6604 8.0263 118.5055 65.8105 31.3133 178.1122 41 G 3.6394 8.2736 105.9076 47.9050 0.0000 175.7972 42 S 4.1729 7.8426 116.9269 61.2697 63.0015 176.2767 43 Y 4.3670 7.7148 120.3298 61.1098 37.4989 178.2439 44 E 4.1571 8.6148 119.6212 59.1928 29.3270 179.0844 45 R 4.2453 8.0361 116.5174 56.3568 30.3901 177.4973 46 G 3.9500 7.7307 106.0708 46.1431 0.0000 174.2353 47 D 4.6006 8.0886 119.9820 54.9004 41.3654 176.8116 48 R 4.6199 7.7018 118.0130 53.7002 32.9940 174.3970 49 A 4.0280 8.7792 127.9553 52.3095 18.8961 176.7984 50 V 3.8013 8.1593 123.1614 61.1491 32.3121 176.2990 51 T 4.2210 7.9847 118.2687 60.9463 70.9739 175.5009 52 V 3.5205 8.1614 120.6879 66.2063 31.5749 177.7162 53 Q 3.9319 8.0403 118.7299 59.3041 28.8206 178.2366 54 R 4.1644 8.0363 120.9815 58.7500 30.0148 178.1508 55 L 3.7431 8.1811 120.3655 58.1032 42.0859 178.8505 56 A 3.9764 8.2364 120.9195 55.1957 18.1640 179.5145 57 E 4.0209 8.1707 117.1530 59.5517 29.4577 179.5994 58 L 3.5611 7.9882 119.1118 57.3015 41.5614 179.3027 59 A 4.0982 8.2333 121.0432 55.3280 18.3669 179.4094 60 D 4.3223 8.0897 117.3029 57.4433 40.6994 178.6817 61 F 4.1887 8.0467 119.8214 61.6899 39.5238 176.3967 62 Y 4.3592 8.0919 113.7186 58.1298 37.8604 175.9436 63 G 3.8988 7.9254 107.8347 46.6382 0.0000 173.8743 64 V 4.5721 7.7853 110.9356 58.1527 35.5365 174.2856 65 P 4.5066 0.0000 0.0000 62.0960 32.0970 178.0487 66 V 3.6213 8.5306 120.9806 64.9577 31.6590 178.0314 67 Q 3.9406 8.3090 121.0187 59.0347 28.8488 178.2955 68 E 4.0528 8.0709 116.0985 58.5767 29.5012 177.5924 69 L 4.4015 7.7829 116.9872 54.6129 42.4859 176.5752 70 L 4.2390 7.4594 119.8637 53.1552 42.3396 175.2010 71 P 4.2572 0.0000 0.0000 62.9503 31.1266 176.1418 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 8.29 4.41 0.00 2.08 2.13 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 2.49 2.42 0.00 2 S 8.24 4.17 0.00 4.16 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 3 S 8.86 4.13 0.00 3.91 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 4 E 8.15 3.92 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 2.40 2.44 0.00 5 Y 8.22 3.81 0.00 3.16 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 6 A 8.62 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 3.97 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 8 Q 8.23 4.14 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 9 L 8.09 3.86 0.00 1.49 1.78 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.46 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 11 A 7.91 3.98 1.36 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 12 K 8.00 3.89 0.00 1.99 1.80 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.57 7.81 13 L 7.95 3.90 0.00 1.91 1.75 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.45 4.13 0.00 1.87 2.05 0.00 3.13 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 15 A 8.15 3.91 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 16 I 7.73 3.51 1.67 0.00 0.00 0.77 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 0.89 0.49 0.00 0.00 17 R 7.41 3.48 0.00 1.62 1.96 0.00 3.25 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 18 T 7.96 3.87 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 1.23 0.00 0.00 19 Q 8.25 3.99 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.40 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 20 Q 7.40 4.60 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.61 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 21 G 8.05 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 22 L 7.62 4.68 0.00 1.85 1.74 1.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.29 4.69 0.00 4.09 4.05 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 0.00 0.00 0.00 24 L 8.34 4.11 0.00 1.76 1.82 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.35 4.38 0.00 3.20 3.33 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.31 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 27 V 8.01 3.95 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.38 0.00 0.00 28 E 8.17 4.46 0.00 2.17 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 0.00 2.33 2.22 0.00 29 E 8.43 3.92 0.00 2.21 1.97 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 2.30 2.38 0.00 30 K 8.45 4.12 0.00 1.92 2.22 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.53 7.81 31 S 8.35 4.58 0.00 3.48 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 32 Q 8.97 3.53 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 33 G 8.50 3.90 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 0.00 0.00 0.00 34 R 7.61 3.46 0.00 1.25 0.77 0.00 2.65 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 35 W 7.45 4.96 0.00 3.10 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 36 K 8.35 4.49 0.00 1.76 1.72 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.43 7.81 37 A 9.36 4.02 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 38 V 7.70 3.49 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 0.99 0.00 0.00 0.91 0.00 0.00 39 V 7.54 3.25 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 0.49 0.00 0.00 0.87 0.00 0.00 40 V 8.03 3.66 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 1.17 0.00 0.00 1.08 0.00 0.00 41 G 8.27 3.64 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 0.00 0.00 0.00 42 S 7.84 4.17 0.00 4.04 4.06 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 43 Y 7.71 4.37 0.00 3.19 2.88 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 44 E 8.61 4.16 0.00 2.20 2.02 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 2.38 2.64 0.00 45 R 8.04 4.25 0.00 1.81 1.99 0.00 3.20 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 46 G 7.73 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 0.00 0.00 0.00 47 D 8.09 4.60 0.00 2.71 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 48 R 7.70 4.62 0.00 1.73 1.84 0.00 3.21 0.00 0.00 3.04 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 49 A 8.78 4.03 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 50 V 8.16 3.80 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 0.55 0.00 0.00 0.51 0.00 0.00 51 T 7.98 4.22 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 1.21 0.00 0.00 52 V 8.16 3.52 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 1.10 0.00 0.00 0.91 0.00 0.00 53 Q 8.04 3.93 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 54 R 8.04 4.16 0.00 1.88 1.80 0.00 3.25 0.00 0.00 3.38 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 0.00 55 L 8.18 3.74 0.00 1.75 1.75 0.85 0.90 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 56 A 8.24 3.98 1.37 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 0.00 0.00 0.00 57 E 8.17 4.02 0.00 2.11 2.30 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 2.45 2.73 0.00 58 L 7.99 3.56 0.00 1.64 1.60 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.23 4.10 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.09 4.32 0.00 3.07 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 61 F 8.05 4.19 0.00 3.14 2.98 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 62 Y 8.09 4.36 0.00 3.09 2.98 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 63 G 7.93 3.90 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 0.00 0.00 0.00 64 V 7.79 4.57 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 0.76 0.00 0.00 1.04 0.00 0.00 65 P 0.00 4.51 0.00 2.18 1.97 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 66 V 8.53 3.62 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 0.79 0.00 0.00 0.94 0.00 0.00 67 Q 8.31 3.94 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 68 E 8.07 4.05 0.00 2.20 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 0.00 2.33 2.28 0.00 69 L 7.78 4.40 0.00 1.71 1.67 0.96 1.23 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 70 L 7.46 4.24 0.00 1.80 1.64 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.26 0.00 1.51 1.77 0.00 3.34 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.68 0.00