NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5986 8.3049 120.3476 55.5800 33.4617 175.0543 2 E 4.0483 9.5475 126.6686 58.2505 30.1432 176.1115 3 L 4.1481 8.0633 118.9726 53.6778 43.6404 175.1073 4 P 4.4936 0.0000 0.0000 62.5915 32.4425 177.5179 5 I 3.5897 8.3556 121.0660 64.1608 37.1179 178.3052 6 A 3.9565 8.0063 121.2780 55.0625 18.2271 177.6550 7 P 4.2251 0.0000 0.0000 65.9459 31.4493 178.9385 8 I 3.8726 7.3567 117.8025 64.1615 36.9684 178.7161 9 G 3.6253 8.0769 106.8085 47.8155 0.0000 176.0652 10 R 3.9734 8.0220 120.4487 58.8689 30.0374 178.9816 11 I 3.7087 7.7643 119.7232 64.7410 36.6697 178.5637 12 I 3.7766 7.6198 119.8550 64.1465 36.7988 178.7595 13 K 4.0013 8.1955 119.4406 59.6038 31.6935 178.9998 14 D 4.3643 8.6759 118.3728 57.3916 40.8531 178.3761 15 A 4.2567 7.8309 119.1516 52.4268 18.4527 177.5857 16 G 3.9415 7.7917 105.8802 45.0974 0.0000 174.2161 17 A 4.2641 7.5057 122.3621 51.6645 19.1775 178.3973 18 E 4.2172 8.7682 121.5634 58.7804 30.0704 177.7425 19 R 4.6937 7.5536 114.5561 54.3844 34.2226 174.3998 20 V 4.3838 8.1088 120.2065 60.7503 34.2003 175.6451 21 S 4.4286 8.4424 121.2896 57.9341 64.1209 174.8592 22 D 4.3666 8.6479 121.5989 57.7380 40.5666 178.8204 23 D 4.3967 8.1275 118.6999 57.0128 40.8077 178.5955 24 A 3.9737 7.8550 121.3600 55.1833 18.4547 179.7798 25 R 3.8769 7.7231 116.4482 59.6417 30.1619 179.4600 26 I 3.7605 7.8133 119.4712 64.5001 37.0518 178.7183 27 T 3.8476 7.9677 116.6554 66.6396 68.3184 176.5925 28 L 3.9725 8.0449 122.0190 57.9090 42.0473 178.7192 29 A 3.9850 8.1159 120.8956 55.2030 18.2982 179.8232 30 K 3.9668 8.2681 116.9522 59.4619 31.9879 179.7794 31 I 3.7333 7.8422 120.3532 64.3345 36.9498 178.4664 32 L 3.9618 8.1380 119.9042 57.3825 41.3125 179.1395 33 E 3.8710 8.3169 119.7063 59.1959 29.6104 178.5039 34 E 3.8839 8.1614 119.4427 59.4182 29.6598 178.6696 35 M 3.9521 8.3330 119.2229 58.1908 31.9083 178.9212 36 G 3.5541 8.1204 105.9925 47.9305 0.0000 175.9922 37 R 3.9159 8.1966 120.8850 58.9964 30.0610 178.9744 38 D 4.3477 8.0923 118.7393 57.2301 40.6944 178.8463 39 I 3.7022 7.6139 120.1356 64.3577 37.0885 178.2812 40 A 3.9897 8.2111 121.8221 55.3466 18.2762 179.8370 41 S 4.0942 8.3724 113.8266 61.9081 62.9130 176.8793 42 E 4.0844 8.4018 121.0282 59.2157 29.1656 179.2571 43 A 4.0707 8.3091 121.2859 55.0066 18.4285 179.7294 44 I 3.6594 8.0003 118.5241 64.5912 37.2206 178.8162 45 K 3.9837 7.9646 118.7792 59.2523 31.7794 179.4158 46 L 4.0316 8.0051 119.1237 57.8082 41.5070 179.3794 47 A 4.0057 8.1435 120.6923 55.2511 18.3140 179.6971 48 R 3.8212 8.1014 117.1674 59.7577 29.9480 178.1175 49 H 4.4502 8.2261 114.1083 57.3107 28.8768 176.3251 50 A 4.5522 7.6174 120.9908 51.5066 19.1381 177.6035 51 G 3.8532 7.9850 105.6191 45.5210 0.0000 173.7107 52 R 4.7186 8.0012 117.4732 54.1580 32.6987 176.1057 53 K 4.3027 8.4292 118.2295 57.5888 33.3311 177.2805 54 T 4.2772 7.6923 115.7000 62.4454 69.1613 174.1785 55 I 4.1516 8.2877 127.8182 60.7131 38.0543 175.4969 56 K 4.5926 9.1275 124.3372 53.9618 35.1185 177.0583 57 A 4.0423 8.5490 121.5659 55.5203 18.1031 179.7274 58 E 3.9381 8.1903 115.5447 59.6049 29.5559 179.0299 59 D 4.3786 8.0062 119.5190 57.1792 40.8851 178.7221 60 I 3.7173 7.6944 119.7387 64.6047 37.0203 178.2202 61 E 4.0326 8.1254 117.9500 59.3733 29.1226 179.1514 62 L 4.1808 8.1664 118.9022 57.5150 41.6734 179.2456 63 A 4.1405 8.2994 120.9908 55.1422 18.2872 179.8712 64 V 3.8519 8.1299 116.7637 66.0900 31.0289 178.3956 65 R 3.9896 7.7994 116.6527 59.0755 29.5975 178.9204 66 R 3.9281 7.7221 116.5763 57.9381 30.0531 177.7329 67 F 4.6559 7.8906 115.4922 57.0808 39.5100 175.8853 68 K 4.2271 7.6648 123.1633 56.6106 32.0015 176.5341 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 4.60 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.80 0.00 2 E 9.55 4.05 0.00 1.98 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 2.48 0.00 3 L 8.06 4.15 0.00 1.61 1.60 0.95 1.35 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 4 P 0.00 4.49 0.00 2.21 2.17 0.00 3.68 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 2.06 1.98 0.00 5 I 8.36 3.59 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.91 0.00 0.00 6 A 8.01 3.96 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 7 P 0.00 4.23 0.00 2.16 2.12 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 8 I 7.36 3.87 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.93 0.00 0.00 9 G 8.08 3.63 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 0.00 0.00 0.00 10 R 8.02 3.97 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 I 7.76 3.71 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 0.91 0.00 0.00 12 I 7.62 3.78 2.00 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 1.17 0.91 0.00 0.00 13 K 8.20 4.00 0.00 1.91 1.85 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 14 D 8.68 4.36 0.00 2.81 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 15 A 7.83 4.26 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 16 G 7.79 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 4.26 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 18 E 8.77 4.22 0.00 1.97 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 2.31 2.32 0.00 19 R 7.55 4.69 0.00 1.73 1.76 0.00 3.15 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 20 V 8.11 4.38 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 0.86 0.00 0.00 0.93 0.00 0.00 21 S 8.44 4.43 0.00 4.04 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 22 D 8.65 4.37 0.00 2.71 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 23 D 8.13 4.40 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.86 3.97 1.38 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 0.00 0.00 25 R 7.72 3.88 0.00 1.91 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 26 I 7.81 3.76 1.87 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 0.66 0.91 0.00 0.00 27 T 7.97 3.85 4.38 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 1.21 0.00 0.00 28 L 8.04 3.97 0.00 1.76 1.65 0.91 0.78 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 29 A 8.12 3.98 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 30 K 8.27 3.97 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 31 I 7.84 3.73 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.89 0.00 0.00 32 L 8.14 3.96 0.00 1.67 1.68 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.32 3.87 0.00 2.09 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 0.00 2.28 2.29 0.00 34 E 8.16 3.88 0.00 2.11 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 0.00 2.28 2.34 0.00 35 M 8.33 3.95 0.00 1.89 2.21 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 36 G 8.12 3.55 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 0.00 0.00 0.00 37 R 8.20 3.92 0.00 1.96 1.97 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 38 D 8.09 4.35 0.00 2.48 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 39 I 7.61 3.70 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 1.28 0.13 0.92 0.00 0.00 40 A 8.21 3.99 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 41 S 8.37 4.09 0.00 4.12 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 42 E 8.40 4.08 0.00 2.20 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 0.00 2.76 2.59 0.00 43 A 8.31 4.07 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 44 I 8.00 3.66 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 0.91 0.00 0.00 45 K 7.96 3.98 0.00 1.99 1.86 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.67 7.81 46 L 8.01 4.03 0.00 1.90 1.74 1.00 0.95 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 47 A 8.14 4.01 1.42 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 0.00 0.00 0.00 48 R 8.10 3.82 0.00 1.87 2.03 0.00 3.00 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 49 H 8.23 4.45 0.00 3.32 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.62 4.55 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 51 G 7.98 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 0.00 0.00 0.00 52 R 8.00 4.72 0.00 1.89 1.83 0.00 3.16 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 53 K 8.43 4.30 0.00 1.73 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.44 7.81 54 T 7.69 4.28 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 1.21 0.00 0.00 55 I 8.29 4.15 1.87 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 1.42 0.75 0.92 0.00 0.00 56 K 9.13 4.59 0.00 1.76 1.70 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.52 7.81 57 A 8.55 4.04 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 58 E 8.19 3.94 0.00 2.21 2.23 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 2.37 2.41 0.00 59 D 8.01 4.38 0.00 2.84 2.91 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 60 I 7.69 3.72 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.15 0.92 0.00 0.00 61 E 8.13 4.03 0.00 2.07 2.03 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 2.36 2.50 0.00 62 L 8.17 4.18 0.00 1.73 1.72 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.30 4.14 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.13 3.85 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 1.09 0.00 0.00 1.02 0.00 0.00 65 R 7.80 3.99 0.00 2.15 1.97 0.00 3.18 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 66 R 7.72 3.93 0.00 0.94 1.64 0.00 3.21 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 67 F 7.89 4.66 0.00 3.01 3.08 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 68 K 7.66 4.23 0.00 1.80 1.74 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.66 7.81