NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2758 8.1627 120.3485 56.6605 32.6774 174.5457 2 K 3.6733 8.1522 116.9609 55.0103 30.7907 173.2139 3 T 4.4538 6.8991 104.8804 60.6383 71.9845 172.8651 4 T 4.5920 7.6812 113.8224 59.4554 71.5388 175.1826 5 R 4.5021 7.9630 121.9353 55.4632 33.0635 174.1812 6 V 4.2864 8.2153 119.0954 63.1810 32.7409 177.9153 7 R 4.5953 8.1241 124.1546 56.1692 31.5326 175.2118 8 T 4.4602 7.8888 107.5852 61.4799 70.0241 174.6160 9 V 4.4034 7.9649 113.8367 61.2757 33.5130 175.5633 10 L 4.2288 8.1034 121.2066 54.0849 41.0335 176.4275 11 N 4.8286 8.3306 121.6925 50.9807 39.2606 175.6888 12 E 3.9137 8.8012 117.7496 60.4699 29.3796 178.8275 13 K 4.0804 8.3099 118.8408 58.6640 32.0255 178.6618 14 Q 3.9736 8.7125 119.8438 59.0393 29.0969 179.0236 15 L 3.9433 8.1588 120.5155 58.4112 41.5331 178.7461 16 H 4.1773 7.7108 116.3956 60.4900 29.8832 176.4692 17 T 3.7886 7.9294 117.1520 66.2803 68.1939 176.1472 18 L 3.5677 7.5715 120.0354 57.9967 41.4065 179.6400 19 R 4.1116 8.0281 118.0748 59.9419 29.6812 179.0543 20 T 3.9600 7.9346 109.1658 65.2216 68.7770 175.6299 21 C 4.2180 8.1326 121.7878 61.9860 31.3352 174.4858 22 Y 4.4691 8.2674 121.2131 61.2407 38.6184 178.0006 23 A 4.1769 7.8624 119.5768 55.0511 18.4390 178.6377 24 A 4.6995 7.4539 116.1939 52.4306 20.2412 177.0202 25 N 4.4746 8.4247 114.7560 51.9895 38.1547 172.6047 26 P 4.6785 0.0000 0.0000 62.8616 31.7672 178.0219 27 R 4.5525 7.5451 117.0956 55.6661 31.9274 172.7690 28 P 4.5555 0.0000 0.0000 62.2043 33.5849 175.4250 29 D 4.4135 7.9186 114.9478 53.7353 43.9122 175.4953 30 A 3.9444 8.8125 121.8769 56.0870 17.5534 178.5677 31 L 4.0394 7.2686 116.1365 57.4411 42.3319 178.9290 32 M 4.0557 8.1426 119.9998 58.4184 32.2500 178.2074 33 K 3.8166 7.8837 119.2705 59.7342 32.2236 177.8360 34 E 4.0547 7.8607 118.3911 59.5303 29.6579 178.8107 35 Q 3.9915 8.0229 117.4385 58.9493 28.3129 178.3619 36 L 3.9272 8.3408 120.4093 58.0354 41.6735 179.8141 37 V 3.5720 7.4789 117.4950 66.1968 31.3062 177.7984 38 E 4.1121 8.1055 116.8255 59.2169 29.4767 177.9752 39 M 4.0943 7.7782 117.8310 58.4757 32.3051 176.8390 40 T 4.1401 7.7032 110.6620 61.1086 68.0865 175.8240 41 G 3.9720 8.5261 108.5240 46.3421 0.0000 174.0067 42 L 4.2643 7.2702 119.1656 54.6805 41.2586 177.6008 43 S 4.3997 8.2875 115.0707 57.6454 65.2306 173.4998 44 P 4.3080 0.0000 0.0000 65.6084 31.2483 178.6426 45 R 3.9225 8.0900 117.9615 59.5795 30.0217 178.7931 46 V 3.7714 7.3369 118.0004 65.9628 31.6291 177.7592 47 I 3.7314 7.3340 119.6152 64.6444 37.1812 177.7617 48 R 4.1254 8.0622 119.0743 60.0449 30.0053 178.8173 49 V 3.8079 7.6677 117.2824 64.7568 31.3226 177.4684 50 W 3.9627 8.3130 129.0029 60.3797 30.5657 177.5196 51 F 3.7431 8.6645 116.1704 61.2245 38.1100 176.9769 52 Q 3.9334 7.9151 117.0904 59.7227 28.7521 178.2149 53 N 4.1611 8.1579 116.0857 56.3778 38.8215 176.9979 54 K 3.3066 7.1458 120.1124 59.4669 31.7660 178.2258 55 R 3.9023 7.3534 116.8520 59.9255 30.0162 177.4278 56 C 4.1435 7.4087 115.8195 62.6091 31.6418 175.4557 57 K 4.2766 7.7270 119.4608 58.7519 32.3392 175.8568 58 D 4.2103 8.3158 119.2622 55.2601 40.0167 173.8829 59 K 4.0657 7.5249 133.7899 56.6502 37.6592 174.9795 60 K 4.2934 8.0456 120.0677 56.7098 32.5952 176.9386 61 R 4.4277 7.5274 116.7406 56.6229 30.2489 175.8614 62 S 4.1012 8.0024 111.5391 57.7475 61.4919 173.3989 63 I 3.9371 8.1554 129.4263 61.5333 37.0327 175.0146 64 M 4.5927 8.7199 123.0008 56.9603 34.6152 175.9456 65 M 4.8654 7.7655 114.4321 54.6137 33.0466 175.0376 66 K 4.1489 7.9223 123.4816 56.5244 32.5493 175.1552 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 8.16 4.28 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 2 K 8.15 3.67 0.00 1.95 1.80 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.49 7.81 3 T 6.90 4.45 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 1.26 0.00 0.00 4 T 7.68 4.59 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 1.22 0.00 0.00 5 R 7.96 4.50 0.00 1.76 1.84 0.00 3.19 0.00 0.00 3.15 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 6 V 8.22 4.29 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 0.77 0.00 0.00 0.93 0.00 0.00 7 R 8.12 4.60 0.00 1.81 1.86 0.00 3.26 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 8 T 7.89 4.46 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 1.25 0.00 0.00 9 V 7.96 4.40 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 0.86 0.00 0.00 0.95 0.00 0.00 10 L 8.10 4.23 0.00 1.72 1.73 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.33 4.83 0.00 2.94 2.96 0.00 0.00 6.16 7.66 0.00 0.00 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 E 8.80 3.91 0.00 1.96 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 2.33 2.44 0.00 13 K 8.31 4.08 0.00 2.05 1.71 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 14 Q 8.71 3.97 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 15 L 8.16 3.94 0.00 1.76 1.79 1.10 1.36 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 16 H 7.71 4.18 0.00 3.16 3.48 0.00 5.96 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.93 3.79 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 1.12 0.00 0.00 18 L 7.57 3.57 0.00 1.02 0.13 -0.04 0.02 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 19 R 8.03 4.11 0.00 2.15 2.11 0.00 3.20 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 20 T 7.93 3.96 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 21 C 8.13 4.22 0.00 3.07 3.10 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 0.00 0.00 0.00 22 Y 8.27 4.47 0.00 3.42 3.30 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 23 A 7.86 4.18 1.50 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 0.00 0.00 24 A 7.45 4.70 1.40 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 0.00 0.00 0.00 25 N 8.42 4.47 0.00 2.86 2.94 0.00 0.00 6.62 7.74 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 26 P 0.00 4.68 0.00 2.10 1.23 0.00 3.67 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 27 R 7.55 4.55 0.00 1.76 1.81 0.00 3.14 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 28 P 0.00 4.56 0.00 1.91 1.84 0.00 3.23 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.44 0.00 29 D 7.92 4.41 0.00 2.64 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 30 A 8.81 3.94 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 31 L 7.27 4.04 0.00 1.70 1.53 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.14 4.06 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 33 K 7.88 3.82 0.00 1.79 1.90 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 34 E 7.86 4.05 0.00 2.13 1.92 0.00 0.00 0.00 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 2.39 0.00 35 Q 8.02 3.99 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 36 L 8.34 3.93 0.00 1.89 1.75 0.88 0.88 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 37 V 7.48 3.57 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 1.03 0.00 0.00 0.93 0.00 0.00 38 E 8.11 4.11 0.00 1.97 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 2.28 2.42 0.00 39 M 7.78 4.09 0.00 2.00 2.26 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 2.55 0.00 40 T 7.70 4.14 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 1.17 0.00 0.00 41 G 8.53 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 42 L 7.27 4.26 0.00 1.77 1.65 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.29 4.40 0.00 4.08 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 44 P 0.00 4.31 0.00 2.31 2.36 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 45 R 8.09 3.92 0.00 1.89 2.07 0.00 3.14 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 46 V 7.34 3.77 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 1.05 0.00 0.00 0.96 0.00 0.00 47 I 7.33 3.73 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 1.04 0.00 0.00 48 R 8.06 4.13 0.00 1.98 2.03 0.00 3.13 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 49 V 7.67 3.81 2.14 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 0.82 0.00 0.00 0.96 0.00 0.00 50 W 8.31 3.96 0.00 3.59 3.44 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 51 F 8.66 3.74 0.00 3.49 3.32 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 52 Q 7.92 3.93 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 53 N 8.16 4.16 0.00 2.79 2.65 0.00 0.00 6.74 6.53 0.00 0.00 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 K 7.15 3.31 0.00 0.79 1.18 0.00 0.92 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.38 7.81 55 R 7.35 3.90 0.00 1.96 2.07 0.00 3.37 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 56 C 7.41 4.14 0.00 3.01 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 57 K 7.73 4.28 0.00 1.87 1.83 0.00 1.41 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.24 1.57 7.81 58 D 8.32 4.21 0.00 2.57 2.85 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 59 K 7.52 4.07 0.00 1.66 1.62 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.20 1.35 7.81 60 K 8.05 4.29 0.00 1.74 1.78 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.41 7.81 61 R 7.53 4.43 0.00 1.75 1.85 0.00 3.33 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 62 S 8.00 4.10 0.00 3.88 3.82 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 63 I 8.16 3.94 1.89 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 1.52 0.93 0.92 0.00 0.00 64 M 8.72 4.59 0.00 1.92 2.00 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 2.47 2.53 0.00 65 M 7.77 4.87 0.00 1.98 1.95 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 2.49 2.45 0.00 66 K 7.92 4.15 0.00 1.68 1.63 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.38 7.81