NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.3257 8.0632 120.4228 54.9694 34.9542 174.7384 2 V 4.8900 7.7000 110.1215 57.8781 34.7066 173.8014 3 R 4.6839 9.3332 119.2665 55.0876 33.5522 173.3046 4 D 4.7436 8.5682 120.9923 53.9690 41.8817 175.4704 5 A 3.3276 6.5754 122.8011 50.7503 23.7214 174.8116 6 Y 4.6859 7.6962 116.9692 56.9101 39.0775 175.5549 7 I 4.1297 8.4099 125.2633 61.4870 39.1902 174.3778 8 A 5.1866 8.6996 129.4491 50.2694 22.9675 175.1886 9 D 4.7664 8.4702 119.3108 52.1289 41.2648 177.0752 10 D 4.4696 8.5509 117.7512 56.4297 40.7638 177.4367 11 V 4.1417 7.9089 118.0178 62.1008 31.5669 174.4280 12 N 4.1613 7.9631 114.2018 54.9731 37.4253 173.1768 13 C 4.7773 7.8444 112.8368 54.5033 42.9318 174.8334 14 V 4.2782 7.7383 116.4906 60.9543 32.3492 174.7537 15 Y 4.4089 8.2318 118.2049 56.2138 39.3062 175.3903 16 E 4.8680 9.0030 126.3586 55.9553 30.3789 174.7000 17 C 4.7880 7.8753 119.3805 53.9216 45.0002 173.6323 18 F 4.3459 8.5654 115.0235 56.8002 40.9618 175.2052 19 R 4.9978 7.7879 119.5837 53.5427 34.1874 175.6421 20 D 4.6684 9.2630 121.7467 57.6667 40.7664 179.0343 21 A 4.1109 8.1676 120.7891 55.1172 18.3467 178.8156 22 Y 4.0617 7.8366 116.7144 61.2981 38.9421 177.8962 23 C 4.0229 8.2601 116.8784 59.7684 40.7900 175.4641 24 N 4.3443 8.6200 119.1958 56.5749 38.5427 176.5830 25 E 3.8290 8.3270 120.8930 59.0626 29.6261 178.4311 26 L 3.6391 7.7877 120.6555 58.2417 42.0918 178.2955 27 C 4.1704 8.3084 116.8767 60.3031 41.3227 176.3625 28 T 4.0724 7.9473 112.8170 64.2270 68.1347 176.5875 29 K 4.0486 8.0559 120.1004 58.2579 32.0311 177.8953 30 N 4.7602 7.3827 115.6940 52.8048 38.7680 175.8870 31 G 3.8673 8.0610 109.2203 44.9201 0.0000 174.2482 32 A 4.7323 8.0808 122.5507 51.1494 19.0994 178.9520 33 S 4.1260 8.6696 115.1358 61.2757 63.4515 174.1252 34 S 4.6200 7.7938 113.4805 58.3771 65.6803 174.6495 35 G 4.6422 8.7156 106.3134 46.1823 0.0000 171.3475 36 Y 5.1079 8.7588 117.4941 55.9956 42.1920 172.9524 37 C 4.8079 9.6220 121.0560 55.3957 40.5151 172.7236 38 Q 4.6944 8.8359 129.5275 55.2875 29.6986 174.6289 39 W 4.3147 9.3148 127.0287 56.4112 30.2690 176.4318 40 A 3.7631 8.5906 127.1226 53.1970 16.0312 176.4136 41 G 4.2234 7.7766 110.7248 44.1477 0.0000 174.1326 42 K 3.6435 8.6313 119.4962 59.4107 31.9369 177.9834 43 Y 4.6073 7.6294 113.5404 57.4739 39.2758 177.4550 44 G 3.7815 8.0844 108.0062 45.4598 0.0000 173.5737 45 N 4.9675 8.3950 120.0161 52.8333 39.5698 174.3860 46 A 5.1142 8.7985 125.2340 50.1434 23.2896 174.3780 47 C 4.8031 8.9540 118.6888 56.7360 42.8400 172.4745 48 W 4.6236 8.7870 133.9243 55.6379 32.7183 173.6702 49 C 5.1135 8.0259 124.4610 55.2799 43.9360 172.2235 50 Y 5.0204 8.7595 120.0646 56.5995 39.9325 175.9720 51 A 3.9297 9.1207 126.9014 53.0551 16.9807 176.8354 52 L 4.3355 7.9546 123.7593 54.8544 43.5593 175.0257 53 P 4.8628 0.0000 0.0000 62.6849 32.7104 176.2366 54 D 4.7979 9.0181 121.8733 53.7945 40.2196 176.8867 55 N 4.8533 8.1009 114.9739 52.8632 37.7626 174.4464 56 V 4.3422 7.1481 118.3778 60.3949 33.7236 173.6636 57 P 4.6280 0.0000 0.0000 62.7344 32.4413 175.1514 58 I 5.0682 7.9639 114.7093 58.7291 41.1083 174.7532 59 R 4.1720 8.7774 124.7535 56.4999 30.1016 176.2374 60 V 4.5880 8.6871 119.3276 58.2677 35.0859 173.7524 61 P 4.2029 0.0000 0.0000 62.1958 31.4095 176.6470 62 G 4.3198 8.1653 110.1385 43.8436 0.0000 171.8874 63 K 4.2719 7.8302 119.4493 55.5352 33.0427 177.5804 64 C 4.8351 8.4883 120.6590 54.9776 45.3149 174.1433 65 R 4.1826 8.3124 125.1822 56.5311 30.8017 175.1557 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 8.06 5.33 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 2 V 7.70 4.89 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 0.75 0.00 0.00 0.93 0.00 0.00 3 R 9.33 4.68 0.00 1.78 1.93 0.00 2.71 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 4 D 8.57 4.74 0.00 2.72 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 5 A 6.58 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 7.70 4.69 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.41 4.13 1.71 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.29 0.80 0.00 0.00 8 A 8.70 5.19 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 4.77 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.47 0.00 2.65 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 11 V 7.91 4.14 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 0.71 0.00 0.00 0.89 0.00 0.00 12 N 7.96 4.16 0.00 2.85 2.98 0.00 0.00 6.89 7.68 0.00 0.00 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 7.84 4.78 0.00 3.13 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 14 V 7.74 4.28 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 0.32 0.00 0.00 0.77 0.00 0.00 15 Y 8.23 4.41 0.00 3.00 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 16 E 9.00 4.87 0.00 1.86 1.73 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 1.72 1.99 0.00 17 C 7.88 4.79 0.00 2.97 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 18 F 8.57 4.35 0.00 3.05 3.20 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 19 R 7.79 5.00 0.00 2.01 1.93 0.00 3.27 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 20 D 9.26 4.67 0.00 2.84 2.90 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 21 A 8.17 4.11 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 Y 7.84 4.06 0.00 3.18 3.24 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 23 C 8.26 4.02 0.00 3.17 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 24 N 8.62 4.34 0.00 3.00 2.85 0.00 0.00 6.83 7.21 0.00 0.00 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 E 8.33 3.83 0.00 2.19 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 2.25 2.29 0.00 26 L 7.79 3.64 0.00 1.10 1.32 0.41 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.31 4.17 0.00 2.93 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 28 T 7.95 4.07 4.22 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 1.29 0.00 0.00 29 K 8.06 4.05 0.00 1.74 1.86 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.53 7.81 30 N 7.38 4.76 0.00 2.73 2.73 0.00 0.00 7.25 7.54 0.00 0.00 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 G 8.06 3.87 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 0.00 0.00 0.00 32 A 8.08 4.73 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 33 S 8.67 4.13 0.00 4.03 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 34 S 7.79 4.62 0.00 3.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.72 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 5.11 0.00 3.36 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.62 4.81 0.00 3.28 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 38 Q 8.84 4.69 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 39 W 9.31 4.31 0.00 3.27 3.29 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 40 A 8.59 3.76 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 41 G 7.78 4.22 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 0.00 0.00 0.00 42 K 8.63 3.64 0.00 1.66 1.77 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.35 1.11 7.81 43 Y 7.63 4.61 0.00 2.58 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.08 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.40 4.97 0.00 2.15 2.20 0.00 0.00 6.49 8.13 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 46 A 8.80 5.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.80 0.00 2.98 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 48 W 8.79 4.62 0.00 2.86 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 0.00 0.00 0.00 0.00 49 C 8.03 5.11 0.00 2.46 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.76 5.02 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 9.12 3.93 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 52 L 7.95 4.34 0.00 1.58 1.52 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.86 0.00 2.24 1.93 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 54 D 9.02 4.80 0.00 2.77 2.90 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 55 N 8.10 4.85 0.00 2.83 2.93 0.00 0.00 5.93 7.68 0.00 0.00 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 V 7.15 4.34 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 0.75 0.00 0.00 0.91 0.00 0.00 57 P 0.00 4.63 0.00 2.24 1.94 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 58 I 7.96 5.07 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 0.80 0.00 0.00 59 R 8.78 4.17 0.00 1.60 1.83 0.00 3.20 0.00 0.00 2.80 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 60 V 8.69 4.59 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 0.84 0.00 0.00 0.99 0.00 0.00 61 P 0.00 4.20 0.00 2.07 2.07 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 62 G 8.17 4.32 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 0.00 63 K 7.83 4.27 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 64 C 8.49 4.84 0.00 3.01 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 65 R 8.31 4.18 0.00 1.75 1.71 0.00 3.28 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00