NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2372 8.2893 120.3405 54.5255 34.3580 174.5021 2 Q 4.0366 8.1272 116.6240 55.3133 29.4458 174.9177 3 I 3.9453 8.9022 119.8953 59.5034 41.2688 175.2977 4 F 5.8071 8.1412 118.5425 55.7704 42.8394 174.7649 5 V 4.8554 9.0392 122.4279 61.0862 34.2023 173.9424 6 K 4.9863 9.2700 130.2367 55.1901 34.2807 175.2651 7 T 5.2231 8.2522 116.6543 58.9035 71.5169 175.4368 8 L 4.1821 8.7589 122.1563 57.0268 41.7423 177.9913 9 T 4.3371 7.8711 107.9524 61.1514 68.8541 175.5073 10 G 3.8602 8.0471 108.6630 45.7741 0.0000 173.4054 11 K 4.4336 7.6855 121.8277 55.2524 33.9443 175.2601 12 T 4.9876 8.4182 123.5938 61.8439 70.5809 173.2438 13 I 4.4044 9.0644 127.4201 59.6514 40.5365 174.3873 14 T 5.2179 8.4917 125.1937 62.3796 70.0252 173.6761 15 L 4.5127 8.7199 133.2879 55.4192 44.9318 176.4923 16 E 4.9347 8.5004 114.4780 57.0873 30.9410 176.5601 17 V 4.4753 8.1178 118.3775 59.1521 34.6486 174.9322 18 E 4.7491 9.0952 120.0469 53.7929 32.4784 175.7685 19 P 4.1855 0.0000 0.0000 65.8570 31.5215 178.5108 20 S 4.2777 7.9021 110.6151 59.8655 63.8521 174.2795 21 D 4.3173 8.5019 122.8581 55.0967 41.1783 177.0567 22 T 4.7999 8.2376 114.2550 61.3004 71.4928 175.3430 23 I 3.8651 8.0622 120.6644 64.2935 37.0664 178.3286 24 E 3.9546 7.9436 119.6914 59.5510 29.2570 178.8811 25 N 4.2474 8.1199 116.3358 56.6242 38.6784 177.4999 26 V 3.5777 7.6352 119.0979 66.0374 31.5223 178.2533 27 K 4.2875 8.6771 119.6084 58.8941 31.8376 179.2827 28 A 4.0195 8.5808 121.4834 54.9576 18.2116 179.9031 29 K 3.9585 8.2739 117.4369 59.7166 32.1301 179.6250 30 I 3.7499 7.9532 120.1594 64.3320 36.9752 178.1582 31 Q 4.3344 8.3127 122.1932 58.6889 28.5788 178.2994 32 D 4.3501 7.6107 118.7189 57.2103 40.9541 178.6931 33 K 4.1190 7.6808 117.1798 59.3256 32.4423 178.7859 34 E 4.3923 8.5733 116.2663 55.3093 30.4077 176.1516 35 G 3.8477 8.1691 106.8157 46.9767 0.0000 174.0821 36 I 4.4857 7.3789 119.0759 58.1389 40.2336 173.9912 37 P 4.4714 0.0000 0.0000 61.8295 31.8700 175.6946 38 P 4.3020 0.0000 0.0000 65.5554 31.4194 178.0030 39 D 4.4792 8.0311 115.8771 55.2151 39.9022 176.7749 40 Q 4.3932 8.2460 118.3589 55.8781 29.2089 174.3455 41 Q 4.7946 7.8155 118.9552 54.4512 30.9760 174.6767 42 R 4.6607 9.1607 123.3649 54.3786 33.0078 174.8093 43 L 5.2140 8.4935 123.5146 53.0977 44.2953 175.3419 44 I 5.0435 9.0743 124.4428 59.5412 40.6776 174.4685 45 F 4.9378 8.8474 127.2417 57.2251 43.2125 174.0594 46 A 3.3878 8.6231 127.1312 53.0367 15.9245 178.2773 47 G 3.8645 8.1648 105.7469 47.0711 0.0000 174.6388 48 K 4.1515 8.4071 121.5692 55.6027 32.7271 176.0310 49 Q 4.5863 8.4804 125.6111 55.1634 28.3865 175.0916 50 L 4.2154 8.4250 126.2398 54.7011 42.7810 176.3810 51 E 4.6684 8.6327 121.0457 54.6260 31.5285 176.7184 52 D 4.4187 9.2285 124.5426 57.6830 41.0992 179.3925 53 G 3.5955 7.9885 105.8714 47.8662 0.0000 173.8865 54 R 4.1464 8.0032 119.7351 56.0072 30.7984 175.2236 55 T 4.9978 7.5608 109.3652 59.6700 71.2716 174.5257 56 L 4.2582 8.2221 120.2949 57.5948 41.7092 180.1079 57 S 3.8076 7.7038 112.3539 61.0925 62.9482 174.7893 58 D 4.5239 7.3074 118.1182 54.9539 40.4371 176.0259 59 Y 4.9452 8.3050 116.5206 57.1138 39.6356 175.1240 60 N 4.0061 8.2173 114.8877 53.7018 36.3650 174.8769 61 I 3.8389 7.4953 119.8910 61.6142 37.5408 175.4299 62 Q 4.5770 7.6413 125.6586 53.9337 31.9824 174.2508 63 K 4.4340 7.7995 118.5378 56.3253 31.3009 175.8335 64 E 2.9944 7.6863 122.7681 56.9870 27.0286 174.0781 65 S 4.4550 8.1536 115.3228 58.3048 63.5306 172.8265 66 T 5.0381 8.7592 124.3157 62.5731 69.5366 174.4041 67 L 5.0335 9.1191 126.9359 53.7004 44.9743 174.9901 68 H 5.3535 9.2316 118.0883 54.0492 31.7458 173.0348 69 L 5.1049 8.8139 125.3371 53.3879 44.2031 175.0922 70 V 4.5194 8.6235 125.8375 61.1376 34.5613 174.8336 71 L 4.4944 8.5640 126.9358 54.9729 42.9824 175.3612 72 R 4.0087 9.0370 119.6471 52.7519 29.7072 176.4487 73 L 3.6496 7.6022 122.5578 55.9883 40.7368 175.4386 74 R 4.2973 7.9672 115.7889 55.7826 31.2322 177.3677 75 G 3.7262 8.3444 109.8637 45.9405 0.0000 172.2487 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 4.24 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 2 Q 8.13 4.04 0.00 2.37 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 3 I 8.90 3.95 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.19 0.86 0.00 0.00 4 F 8.14 5.81 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 5 V 9.04 4.86 2.12 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 0.97 0.00 0.00 0.97 0.00 0.00 6 K 9.27 4.99 0.00 1.79 1.53 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.25 5.22 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 1.22 0.00 0.00 8 L 8.76 4.18 0.00 1.66 1.77 0.92 0.85 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 9 T 7.87 4.34 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 10 G 8.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.69 4.43 0.00 1.79 1.67 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 12 T 8.42 4.99 4.07 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 1.02 0.00 0.00 13 I 9.06 4.40 1.88 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 1.26 1.79 0.98 0.00 0.00 14 T 8.49 5.22 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 15 L 8.72 4.51 0.00 1.58 1.57 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.50 4.93 0.00 1.90 1.80 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 2.13 2.33 0.00 17 V 8.12 4.48 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 0.77 0.00 0.00 0.88 0.00 0.00 18 E 9.10 4.75 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 19 P 0.00 4.19 0.00 2.14 2.10 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 20 S 7.90 4.28 0.00 3.96 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 21 D 8.50 4.32 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 22 T 8.24 4.80 4.53 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 0.00 0.00 0.00 1.21 0.00 0.00 23 I 8.06 3.87 2.03 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.25 0.99 0.00 0.00 24 E 7.94 3.95 0.00 1.97 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 2.34 2.38 0.00 25 N 8.12 4.25 0.00 2.95 2.89 0.00 0.00 6.71 7.36 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 26 V 7.64 3.58 2.25 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 1.03 0.00 0.00 0.96 0.00 0.00 27 K 8.68 4.29 0.00 1.97 1.85 0.00 1.84 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.47 7.81 28 A 8.58 4.02 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 29 K 8.27 3.96 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.75 7.81 30 I 7.95 3.75 2.17 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 1.42 0.75 0.92 0.00 0.00 31 Q 8.31 4.33 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 7.61 4.35 0.00 2.88 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 33 K 7.68 4.12 0.00 1.73 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.48 1.48 7.81 34 E 8.57 4.39 0.00 2.01 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 2.30 2.46 0.00 35 G 8.17 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 36 I 7.38 4.49 1.88 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 1.42 1.45 0.92 0.00 0.00 37 P 0.00 4.47 0.00 2.35 1.98 0.00 3.62 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 2.11 2.11 0.00 38 P 0.00 4.30 0.00 2.18 2.12 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.03 4.48 0.00 2.79 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 40 Q 8.25 4.39 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 41 Q 7.82 4.79 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 42 R 9.16 4.66 0.00 1.87 1.82 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 43 L 8.49 5.21 0.00 1.57 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.07 5.04 1.89 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 1.10 0.80 0.87 0.00 0.00 45 F 8.85 4.94 0.00 3.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 3.39 1.03 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 0.00 0.00 47 G 8.16 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.41 4.15 0.00 2.05 1.75 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.42 7.81 49 Q 8.48 4.59 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 50 L 8.43 4.22 0.00 1.53 1.45 0.69 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.63 4.67 0.00 2.03 1.89 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 2.28 2.49 0.00 52 D 9.23 4.42 0.00 2.72 2.93 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 53 G 7.99 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 4.15 0.00 2.09 1.65 0.00 3.34 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 55 T 7.56 5.00 4.20 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 1.21 0.00 0.00 56 L 8.22 4.26 0.00 1.94 1.72 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.70 3.81 0.00 3.95 4.07 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 58 D 7.31 4.52 0.00 2.14 2.41 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 59 Y 8.31 4.95 0.00 2.82 2.51 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 60 N 8.22 4.01 0.00 2.92 2.99 0.00 0.00 6.23 7.81 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 61 I 7.50 3.84 1.74 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.72 0.00 0.00 62 Q 7.64 4.58 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 63 K 7.80 4.43 0.00 1.74 1.61 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.46 7.81 64 E 7.69 2.99 0.00 2.18 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 2.33 2.00 0.00 65 S 8.15 4.46 0.00 4.07 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.76 5.04 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 67 L 9.12 5.03 0.00 1.63 1.61 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.23 5.35 0.00 3.08 3.20 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.81 5.10 0.00 1.77 1.53 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.62 4.52 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 0.94 0.00 0.00 71 L 8.56 4.49 0.00 1.57 1.58 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.04 4.01 0.00 1.91 1.78 0.00 3.32 0.00 0.00 3.23 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 73 L 7.60 3.65 0.00 1.74 1.71 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.97 4.30 0.00 1.80 1.85 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 75 G 8.34 3.73 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 0.00 0.00 0.00