NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5052 8.1633 118.3346 55.1799 33.1075 174.8773 1 K 4.7007 8.5740 121.5349 53.8870 34.3291 173.5746 2 K 4.6959 9.9592 121.3371 56.1151 36.8830 174.2694 3 N 5.0253 9.4878 116.9716 50.6846 41.8137 174.7604 4 G 3.4141 6.2210 107.1813 46.2833 0.0000 170.7933 5 Y 5.0090 7.5805 118.1045 55.8998 38.4009 173.8335 6 P 4.5110 0.0000 0.0000 62.7325 31.9634 175.7997 7 L 4.8698 8.2133 122.7223 53.5508 43.6948 176.5796 8 D 4.9589 8.7492 122.6707 51.9346 41.7356 177.0786 9 R 3.9066 8.5859 114.4364 59.1381 29.2842 176.8486 10 N 4.6199 8.8219 114.9705 52.7076 38.7252 175.3181 11 G 3.9041 8.3871 106.4928 46.2119 0.0000 173.7535 12 K 4.6438 7.9203 117.5320 54.0041 35.4279 176.0407 13 T 4.5502 8.0935 111.0632 61.5610 69.9691 174.1910 14 T 4.4368 8.0993 118.5476 62.1347 69.4424 174.3521 15 E 4.7410 8.8223 128.4606 56.4986 30.7393 175.0436 16 C 5.0942 8.9596 120.1345 54.2415 39.6871 173.3575 17 S 4.4632 8.5185 116.5760 57.4124 66.9354 174.9815 18 G 3.7492 8.3564 109.1985 46.4728 0.0000 177.6910 19 V 3.6653 8.2917 121.8420 64.2727 31.3800 177.2887 20 N 4.7420 7.9013 115.2879 53.8672 38.5547 175.7600 21 A 4.5643 7.8081 122.2154 53.1933 20.1671 178.5440 22 I 3.9613 7.8211 115.7200 61.6175 38.8066 175.4721 23 A 4.8890 7.3066 121.3623 49.7102 21.0249 175.5962 24 P 4.5898 0.0000 0.0000 65.0998 31.4625 178.6660 25 H 4.0635 8.5809 115.5783 59.3677 28.5964 176.1911 26 Y 4.2146 8.2296 120.1947 61.3267 38.6110 178.8380 27 C 4.1259 8.3162 116.7124 59.8472 41.0398 175.5918 28 N 4.2601 8.7289 119.3165 56.6112 38.4295 177.2476 29 S 4.0899 8.1530 116.6366 61.4971 62.8939 176.3734 30 E 3.8150 7.8458 121.1672 59.5999 29.2347 178.6789 31 C 4.3747 8.3918 116.9241 60.3259 34.9306 176.5076 32 T 4.1252 7.8357 112.3431 64.3868 68.4239 176.9860 33 K 3.8221 8.0808 120.8198 57.9890 32.2025 178.3078 34 V 3.4533 7.5182 117.6939 64.1435 31.9443 176.0593 35 Y 4.5586 7.5008 113.3478 56.9096 38.3204 174.7159 36 Y 4.0848 7.4001 114.9386 57.7999 35.4800 170.3300 37 A 4.7901 8.0083 121.2498 50.3416 21.0595 178.9727 38 E 4.1857 9.0110 117.8947 59.5202 30.3555 177.2761 39 S 4.5798 7.4387 111.8814 58.7051 66.1201 174.9203 40 G 4.6906 8.7562 106.2082 47.0018 0.0000 171.4449 41 Y 4.9931 8.2468 117.5825 56.2879 42.0789 172.6304 42 C 4.8643 9.0797 120.0932 55.8955 43.6940 173.4734 43 C 4.7788 9.0090 128.1635 55.0786 44.2752 173.5164 44 W 3.2062 10.1450 135.0000 58.6051 28.5459 174.8113 45 G 3.9149 9.0176 104.7775 44.7350 0.0000 171.9762 46 A 5.2085 7.6319 119.3158 50.1986 23.1524 175.1799 47 C 4.8772 9.2351 119.2956 57.2696 40.5492 172.6017 48 Y 4.4861 9.0269 126.0343 55.8863 40.6726 173.7389 49 C 5.4608 8.1520 123.5433 55.1654 44.6772 172.7479 50 F 5.1126 9.0703 120.0999 56.2053 42.2078 176.0088 51 G 4.0381 9.0915 109.4008 46.7267 0.0000 173.7865 52 L 4.4172 8.2133 119.2877 53.7296 42.6986 177.0443 53 E 4.3928 8.5029 120.9549 56.0274 30.1503 177.7155 54 D 4.3877 7.9090 121.8355 57.2705 41.2965 177.3625 55 D 4.5267 7.9446 116.2001 54.2321 40.0323 176.3560 56 K 4.1819 7.8558 121.1921 55.4626 32.5643 174.9870 57 P 4.5460 0.0000 0.0000 62.5781 32.2078 175.5231 58 I 4.9660 8.2517 117.1345 58.6541 40.7590 175.3307 59 G 3.9179 9.0988 111.1420 45.2920 0.0000 172.2765 60 P 4.6417 0.0000 0.0000 62.8245 32.1210 175.7599 61 M 4.7897 7.9667 116.1712 53.0329 33.8730 175.3551 62 K 4.2950 8.3992 120.1529 56.0542 34.4860 177.9886 63 D 4.4068 8.6337 120.8776 57.7370 40.8203 179.1153 64 I 3.6671 7.6696 118.5665 64.3728 37.9923 178.0148 65 T 3.8706 7.7623 116.1505 66.3037 68.3963 176.5487 66 K 3.8663 8.1281 121.5496 59.5581 32.0507 179.0291 67 K 4.0072 7.9416 117.4378 59.5372 31.9938 178.4662 68 Y 4.2006 7.6689 118.5842 60.9824 38.8341 177.0939 69 C 4.5594 7.9341 117.6306 58.0799 40.6570 174.3062 70 D 4.9283 7.6382 120.1305 53.6667 39.9209 175.2005 71 V 4.3201 8.5103 121.7020 63.1149 34.8473 171.8294 72 Q 4.1326 8.8439 127.3867 55.6630 26.1253 173.3873 73 I 2.9144 5.7842 113.1394 60.9852 39.1199 173.5072 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 M 8.16 4.51 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 1 K 8.57 4.70 0.00 1.76 1.82 0.00 1.76 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.52 7.81 2 K 9.96 4.70 0.00 1.68 1.84 0.00 1.21 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.33 7.81 3 N 9.49 5.03 0.00 2.50 2.19 0.00 0.00 6.75 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 4 G 6.22 3.41 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 0.00 0.00 0.00 0.00 5 Y 7.58 5.01 0.00 2.87 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 6 P 0.00 4.51 0.00 0.49 1.36 0.00 3.76 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 7 L 8.21 4.87 0.00 1.56 1.63 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.75 4.96 0.00 2.95 2.96 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 0.00 0.00 0.00 9 R 8.59 3.91 0.00 1.96 2.14 0.00 3.03 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 10 N 8.82 4.62 0.00 2.83 2.89 0.00 0.00 7.01 7.24 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 11 G 8.39 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 12 K 7.92 4.64 0.00 1.79 1.66 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.55 7.81 13 T 8.09 4.55 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 1.05 0.00 0.00 14 T 8.10 4.44 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 1.35 0.00 0.00 15 E 8.82 4.74 0.00 1.98 1.87 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 2.28 2.28 0.00 16 C 8.96 5.09 0.00 3.32 3.41 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 0.00 17 S 8.52 4.46 0.00 3.90 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 18 G 8.36 3.75 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 0.00 0.00 0.00 19 V 8.29 3.67 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 0.70 0.00 0.00 0.93 0.00 0.00 20 N 7.90 4.74 0.00 2.72 2.90 0.00 0.00 6.86 6.91 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 21 A 7.81 4.56 1.41 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 0.00 0.00 0.00 22 I 7.82 3.96 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.92 0.95 0.00 0.00 23 A 7.31 4.89 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 24 P 0.00 4.59 0.00 2.20 2.24 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 25 H 8.58 4.06 0.00 3.30 3.48 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.23 4.21 0.00 3.28 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 27 C 8.32 4.13 0.00 3.09 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 28 N 8.73 4.26 0.00 3.00 2.96 0.00 0.00 7.14 7.42 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 29 S 8.15 4.09 0.00 4.01 3.85 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 30 E 7.85 3.81 0.00 1.98 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 1.78 1.93 0.00 31 C 8.39 4.37 0.00 3.18 3.25 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 0.00 32 T 7.84 4.13 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 1.31 0.00 0.00 33 K 8.08 3.82 0.00 1.70 1.77 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.45 7.81 34 V 7.52 3.45 1.76 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 -0.12 0.00 0.00 0.76 0.00 0.00 35 Y 7.50 4.56 0.00 3.10 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 36 Y 7.40 4.08 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 37 A 8.01 4.79 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 38 E 9.01 4.19 0.00 2.04 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 2.38 2.31 0.00 39 S 7.44 4.58 0.00 3.89 3.98 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 40 G 8.76 4.69 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 0.00 0.00 0.00 41 Y 8.25 4.99 0.00 3.11 3.12 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 0.00 0.00 0.00 0.00 42 C 9.08 4.86 0.00 3.28 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 43 C 9.01 4.78 0.00 2.22 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 44 W 10.15 3.21 0.00 3.71 3.26 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 0.00 45 G 9.02 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 46 A 7.63 5.21 0.98 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 0.00 0.00 47 C 9.24 4.88 0.00 2.88 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 48 Y 9.03 4.49 0.00 2.59 2.22 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 49 C 8.15 5.46 0.00 2.61 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 50 F 9.07 5.11 0.00 3.01 2.96 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 0.00 0.00 0.00 51 G 9.09 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 0.00 0.00 0.00 52 L 8.21 4.42 0.00 1.72 1.57 0.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.50 4.39 0.00 2.12 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 2.41 2.34 0.00 54 D 7.91 4.39 0.00 2.99 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 55 D 7.94 4.53 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.86 4.18 0.00 1.90 1.82 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.40 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.66 7.81 57 P 0.00 4.55 0.00 2.08 1.98 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 58 I 8.25 4.97 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.82 0.00 0.00 59 G 9.10 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.64 0.00 2.08 2.02 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 61 M 7.97 4.79 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 62 K 8.40 4.29 0.00 1.81 1.75 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.53 7.81 63 D 8.63 4.41 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.67 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 0.83 0.00 0.00 65 T 7.76 3.87 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 1.34 0.00 0.00 66 K 8.13 3.87 0.00 1.86 1.95 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.58 7.81 67 K 7.94 4.01 0.00 1.80 1.88 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.68 7.81 68 Y 7.67 4.20 0.00 2.93 3.12 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 0.00 0.00 0.00 0.00 69 C 7.93 4.56 0.00 1.81 1.18 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 70 D 7.64 4.93 0.00 2.74 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 71 V 8.51 4.32 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 0.59 0.00 0.00 0.86 0.00 0.00 72 Q 8.84 4.13 0.00 1.74 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 5.79 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 73 I 5.78 2.91 1.76 0.00 0.00 0.72 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 0.62 0.85 0.00 0.00