NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 F 4.8137 8.3244 115.8295 56.6503 39.3756 173.3638 1 L 4.8327 8.3706 123.0551 53.2345 44.8265 173.3020 2 Q 5.2216 10.0078 124.7497 54.7153 31.9324 173.6330 3 C 5.1135 8.7199 118.6850 55.2750 45.4523 172.9949 4 Y 4.7759 8.1922 119.3588 58.2996 38.2413 175.1705 5 N 5.0696 9.4028 123.1568 52.4542 41.1897 172.6265 6 C 5.1429 8.9847 124.4074 54.2456 42.9220 173.8365 7 P 4.2629 0.0000 0.0000 65.1938 31.0446 176.1380 8 N 5.1663 7.3272 110.7643 49.8739 42.2430 172.3361 9 P 4.0940 0.0000 0.0000 63.3715 31.6997 175.4934 10 T 4.5005 7.7773 113.6485 60.4656 70.6956 173.5592 11 A 4.1014 8.5047 128.0930 54.8482 18.6999 177.9247 12 D 4.5008 7.4006 113.6975 52.3623 41.2091 173.2355 13 C 4.3225 8.1549 119.6886 56.1641 43.7379 172.7270 14 K 4.0848 8.4043 126.8192 56.1910 32.7578 176.1877 15 T 4.3347 7.7093 115.0001 63.7483 68.4535 172.6729 16 A 4.6581 8.5111 128.4627 51.4120 19.5066 176.7967 17 V 4.4491 8.7702 115.8764 59.4866 36.0260 175.2102 18 Q 4.4610 8.4119 122.3544 54.9320 28.9676 176.5932 19 C 4.6083 8.9866 122.8809 56.4622 42.2198 174.3963 20 S 4.4203 9.1576 118.1333 58.7445 63.0412 175.9833 21 S 4.3062 8.5307 116.0097 60.9826 62.9579 175.3883 22 D 4.1988 7.9988 120.4817 56.3377 40.6486 176.4073 23 F 5.0308 7.8602 117.2809 55.9238 40.4943 175.0364 24 D 5.1514 8.7739 121.6800 52.9343 40.6340 174.9892 25 A 4.5000 8.1812 119.9570 50.8298 23.2475 174.5120 26 C 5.2114 9.2051 117.0854 55.1426 44.4475 172.7592 27 L 5.0317 8.8695 124.6620 53.1088 44.5889 174.6902 28 I 5.0071 8.6000 125.9899 59.5424 40.9461 174.1690 29 T 5.1313 9.1820 125.3836 61.7397 72.8221 172.8730 30 K 5.0217 9.4869 125.2754 54.7403 34.6581 175.0748 31 A 4.7038 8.7519 127.7615 49.2549 20.6360 176.8990 32 G 3.9015 8.8370 114.2392 47.8084 0.0000 172.8741 33 L 4.5575 8.6488 124.8998 54.8308 40.9428 175.9572 34 Q 4.1450 7.6933 117.8945 55.7840 29.8688 174.7458 35 V 4.7964 7.8923 120.2103 61.3253 34.7878 173.2647 36 Y 4.8910 9.2149 125.8078 56.3283 40.5455 174.4297 37 N 5.5216 8.6719 120.3643 51.5040 42.3996 173.5018 38 K 5.2158 8.9325 122.1200 54.6537 37.2826 175.1647 39 C 4.5341 8.8621 121.4361 57.2556 35.0177 172.9302 40 W 5.2257 8.9993 132.0712 56.3607 34.8498 172.7869 41 K 5.0229 7.7614 118.4883 54.4141 34.6573 178.0089 42 F 4.2883 9.7152 124.6677 60.5697 39.0926 177.4732 43 E 4.0643 8.2686 117.0834 58.7175 29.4201 177.1082 44 H 5.4002 8.0047 115.1453 55.2346 29.2033 175.2216 45 C 4.6719 8.0499 120.3904 54.9167 39.8208 172.6051 46 N 5.1995 7.0948 121.1198 50.9319 41.4587 175.4875 47 F 4.1404 8.7298 119.6650 60.6286 39.0127 177.2423 48 N 4.3319 8.3232 116.1197 57.1559 38.7535 176.4825 49 D 4.4062 8.7015 120.2722 56.9359 40.9573 179.1237 50 V 3.6361 7.9154 119.1680 66.0916 31.5616 178.1508 51 T 4.0401 8.1967 111.0934 64.6778 68.3641 176.4799 52 T 3.9218 7.7359 111.7859 64.3182 68.8479 176.4058 53 R 4.1199 7.8181 119.6645 58.2595 30.2662 177.9942 54 L 4.1835 7.8195 116.6229 53.6341 42.3524 176.5791 55 R 3.9031 7.8734 116.7853 57.4453 27.9610 175.7776 56 E 4.6671 7.8562 115.5444 54.5926 31.6278 175.5668 57 N 4.6397 8.0502 122.3822 55.2057 39.8063 174.2199 58 E 4.2775 7.9027 118.5528 56.0123 30.7495 176.0401 59 L 4.7758 8.0756 121.9498 55.5665 43.4928 173.9495 60 T 5.0342 9.1515 116.3186 62.0271 72.1874 172.9489 61 Y 5.3287 7.9281 121.3583 55.8819 42.4179 173.1004 62 Y 4.8856 9.0430 120.4527 56.5227 42.5945 172.8055 63 C 5.4074 8.2583 123.3034 55.4392 38.6934 171.7852 64 C 4.9769 8.3585 115.7502 54.0064 45.4536 173.7833 65 K 4.8315 8.5340 115.8003 56.5818 33.1808 175.9427 66 K 4.6706 7.9362 117.6937 54.9609 34.6843 175.5177 67 D 4.7089 8.7094 121.7329 56.1618 41.3310 176.4448 68 L 3.4055 8.9951 123.2311 55.7246 39.6976 173.7539 69 C 4.8404 8.1164 112.1057 57.1385 41.5707 173.4213 70 N 4.7529 8.0544 118.7297 53.9462 38.4428 174.7136 71 F 4.6891 7.6619 111.8371 55.8051 39.0489 176.2191 72 N 4.3776 8.7240 119.3447 56.4727 38.4848 176.2913 73 E 4.2367 8.4538 114.7283 57.3012 29.7524 176.4729 74 Q 3.7924 7.5927 125.8845 56.0475 28.9101 175.1469 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 0 F 8.32 4.81 0.00 3.15 3.17 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 0.00 1 L 8.37 4.83 0.00 1.92 1.63 0.98 0.65 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 2 Q 10.01 5.22 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 3 C 8.72 5.11 0.00 2.77 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 4 Y 8.19 4.78 0.00 2.91 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 5 N 9.40 5.07 0.00 2.57 2.64 0.00 0.00 7.04 7.33 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 6 C 8.98 5.14 0.00 2.89 3.02 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 7 P 0.00 4.26 0.00 2.20 2.22 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 8 N 7.33 5.17 0.00 2.69 2.69 0.00 0.00 7.05 7.90 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 9 P 0.00 4.09 0.00 1.69 0.51 0.00 3.74 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 1.82 1.75 0.00 10 T 7.78 4.50 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 11 A 8.50 4.10 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 12 D 7.40 4.50 0.00 2.52 2.46 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 0.00 0.00 0.00 0.00 13 C 8.15 4.32 0.00 2.92 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 14 K 8.40 4.08 0.00 1.78 1.73 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.36 7.81 15 T 7.71 4.33 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 16 A 8.51 4.66 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 17 V 8.77 4.45 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 0.76 0.00 0.00 0.88 0.00 0.00 18 Q 8.41 4.46 0.00 1.59 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.99 0.00 0.00 0.00 0.00 0.00 1.74 2.12 0.00 19 C 8.99 4.61 0.00 3.05 3.22 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 0.00 20 S 9.16 4.42 0.00 4.06 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 21 S 8.53 4.31 0.00 3.98 4.03 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 22 D 8.00 4.20 0.00 1.76 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 0.00 0.00 0.00 0.00 23 F 7.86 5.03 0.00 3.07 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 24 D 8.77 5.15 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 4.50 0.17 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 0.00 0.00 0.00 26 C 9.21 5.21 0.00 2.75 3.23 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 27 L 8.87 5.03 0.00 1.11 1.02 0.51 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.60 5.01 2.06 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 1.19 1.42 1.03 0.00 0.00 29 T 9.18 5.13 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 1.24 0.00 0.00 30 K 9.49 5.02 0.00 1.65 1.73 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.36 7.81 31 A 8.75 4.70 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 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 33 L 8.65 4.56 0.00 1.71 1.75 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.69 4.15 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.79 0.00 0.00 0.00 0.00 0.00 2.68 2.49 0.00 35 V 7.89 4.80 2.18 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 1.03 0.00 0.00 0.88 0.00 0.00 36 Y 9.21 4.89 0.00 2.82 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 37 N 8.67 5.52 0.00 2.64 2.89 0.00 0.00 6.91 7.46 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 38 K 8.93 5.22 0.00 1.55 1.79 0.00 1.62 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.46 7.81 39 C 8.86 4.53 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.00 5.23 0.00 3.18 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 5.02 0.00 1.28 1.42 0.00 1.46 0.00 0.00 1.70 0.00 0.00 2.67 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.41 1.39 7.81 42 F 9.72 4.29 0.00 3.16 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 43 E 8.27 4.06 0.00 2.02 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 0.00 2.08 1.87 0.00 44 H 8.00 5.40 0.00 2.78 3.20 0.00 5.61 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.05 4.67 0.00 3.36 3.27 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 46 N 7.09 5.20 0.00 3.02 2.94 0.00 0.00 6.74 8.12 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 47 F 8.73 4.14 0.00 3.21 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 48 N 8.32 4.33 0.00 2.81 3.04 0.00 0.00 7.21 8.49 0.00 0.00 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 8.70 4.41 0.00 2.96 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 50 V 7.92 3.64 1.74 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 0.72 0.00 0.00 0.47 0.00 0.00 51 T 8.20 4.04 4.42 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 0.00 0.00 0.00 1.49 0.00 0.00 52 T 7.74 3.92 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 1.28 0.00 0.00 53 R 7.82 4.12 0.00 2.22 2.27 0.00 3.10 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 54 L 7.82 4.18 0.00 1.37 0.99 0.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.87 3.90 0.00 1.99 2.03 0.00 3.12 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 56 E 7.86 4.67 0.00 1.90 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 2.41 2.11 0.00 57 N 8.05 4.64 0.00 2.69 2.70 0.00 0.00 7.15 7.65 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 58 E 7.90 4.28 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 2.31 2.24 0.00 59 L 8.08 4.78 0.00 1.83 1.69 1.20 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 60 T 9.15 5.03 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 1.18 0.00 0.00 61 Y 7.93 5.33 0.00 2.78 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 62 Y 9.04 4.89 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.26 5.41 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.98 0.00 3.00 2.80 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 0.00 0.00 0.00 0.00 65 K 8.53 4.83 0.00 2.00 2.24 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.54 7.81 66 K 7.94 4.67 0.00 1.89 1.78 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.48 7.81 67 D 8.71 4.71 0.00 2.68 2.65 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 68 L 9.00 3.41 0.00 1.78 1.43 0.78 -0.06 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 69 C 8.12 4.84 0.00 3.28 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.05 4.75 0.00 2.80 3.18 0.00 0.00 7.16 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.66 4.69 0.00 3.25 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 72 N 8.72 4.38 0.00 2.75 2.92 0.00 0.00 6.99 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 73 E 8.45 4.24 0.00 2.32 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 0.00 2.36 2.41 0.00 74 Q 7.59 3.79 0.00 1.01 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 1.94 1.33 0.00