NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0693 8.0244 121.4515 60.7254 38.4675 174.7939 6 N 4.1770 8.7701 124.4334 52.3840 39.0899 172.0895 7 P 4.3598 0.0000 0.0000 62.7392 32.8623 175.3110 8 L 4.7416 8.2711 121.3330 53.7617 44.7538 175.5914 9 H 4.5936 8.9053 113.1453 56.8995 26.7020 177.4624 10 A 4.0587 7.6926 124.5786 55.6609 18.2957 180.5726 11 Y 3.8909 8.1039 111.5096 60.2715 37.9743 176.7829 12 F 4.7334 7.7957 116.6703 57.6916 39.6462 175.7144 13 K 4.6674 7.5193 121.1839 54.6603 34.3047 175.3551 14 L 4.2290 8.2168 121.1774 54.4660 42.7392 175.8240 15 P 4.2981 0.0000 0.0000 63.0934 31.7403 175.7857 16 N 5.0134 8.5821 117.4280 52.4127 37.9266 173.9949 17 T 4.7027 7.5709 107.0415 60.2092 71.9366 173.1651 18 V 4.4408 8.1630 121.4356 61.1843 34.5100 174.8810 19 S 4.6523 8.5325 121.7073 56.6398 65.8877 173.2365 20 L 4.5167 8.4941 125.1069 53.4972 42.4873 176.3084 21 V 4.5307 7.8763 115.4267 59.8387 35.3868 174.4107 22 A 4.4372 7.7684 121.0667 51.9252 21.4859 175.6659 23 G 3.9074 8.1168 108.0641 45.5649 0.0000 172.5044 24 S 4.6147 8.6152 113.1403 57.2240 65.8244 173.2225 25 S 4.4300 7.9490 112.5868 57.8340 64.6303 174.6599 26 E 4.3188 8.5694 125.8568 55.4281 30.7483 175.2629 27 G 4.1476 7.7614 107.6206 44.8741 0.0000 173.8118 28 E 4.1757 8.8359 120.4451 58.3192 30.1599 177.5252 29 T 4.7426 7.4331 108.0491 58.3517 73.1896 172.5999 30 P 4.2595 0.0000 0.0000 65.9347 31.2728 178.7395 31 L 4.0274 7.8828 118.4213 58.2888 42.1016 178.6112 32 N 4.3775 8.2621 115.9524 56.0133 38.3479 177.3586 33 A 4.2072 8.1854 122.5426 54.9440 18.4963 179.4230 34 F 4.0580 8.4848 119.3268 61.4932 39.5235 176.8009 35 D 4.3793 8.6613 118.1394 57.3874 40.9337 178.5184 36 G 3.6608 8.4774 107.3236 47.0882 0.0000 175.6006 37 A 3.9240 8.0669 123.2369 54.8163 18.3954 179.6597 38 L 3.7353 7.6708 117.4809 57.8994 41.8089 179.7389 39 L 3.9447 7.8582 118.7842 57.9098 41.3689 179.2143 40 N 4.3356 8.2548 115.5427 56.0481 38.9219 176.0692 41 A 4.5393 7.1483 122.1707 51.8946 19.0601 178.1298 42 G 4.0025 8.1175 104.9796 45.1895 0.0000 173.6585 43 I 4.6049 7.4980 112.4035 60.3768 37.9020 177.0265 44 G 3.6910 8.3386 110.9715 48.4765 0.0000 174.8346 45 N 4.9529 8.0185 116.1789 52.9025 39.0365 174.5075 46 V 4.5116 7.4190 109.9178 59.4082 35.4831 174.9152 47 N 4.6529 8.5661 119.2271 52.3905 38.7783 175.1210 48 L 4.2288 8.5019 124.2416 54.0498 42.4437 176.6106 49 I 4.2297 8.0784 125.0562 59.0432 37.3050 175.2380 50 R 3.9579 8.5541 126.5325 56.2573 30.3113 175.6875 51 I 4.5551 8.2465 118.9419 59.1029 39.7686 175.6341 52 S 4.2012 8.3440 116.5348 58.6676 63.0138 173.6350 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 5 I 8.02 4.07 1.88 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 1.30 1.07 0.92 0.00 0.00 6 N 8.77 4.18 0.00 2.77 2.75 0.00 0.00 7.20 6.80 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 7 P 0.00 4.36 0.00 2.09 1.99 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 8 L 8.27 4.74 0.00 1.66 1.49 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.91 4.59 0.00 3.48 3.60 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.69 4.06 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 11 Y 8.10 3.89 0.00 2.62 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 12 F 7.80 4.73 0.00 3.29 3.01 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 0.00 0.00 0.00 13 K 7.52 4.67 0.00 1.91 1.79 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.59 7.81 14 L 8.22 4.23 0.00 1.58 1.54 0.93 0.88 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 15 P 0.00 4.30 0.00 2.05 1.93 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 16 N 8.58 5.01 0.00 2.72 2.80 0.00 0.00 5.85 7.71 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 17 T 7.57 4.70 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 1.17 0.00 0.00 18 V 8.16 4.44 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 0.86 0.00 0.00 0.92 0.00 0.00 19 S 8.53 4.65 0.00 3.83 3.70 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 20 L 8.49 4.52 0.00 1.62 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.88 4.53 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 0.71 0.00 0.00 0.91 0.00 0.00 22 A 7.77 4.44 1.19 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 0.00 0.00 23 G 8.12 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 24 S 8.62 4.61 0.00 3.94 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 25 S 7.95 4.43 0.00 3.86 3.83 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 26 E 8.57 4.32 0.00 1.95 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 2.25 2.36 0.00 27 G 7.76 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.84 4.18 0.00 1.98 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 2.32 2.30 0.00 29 T 7.43 4.74 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 30 P 0.00 4.26 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 31 L 7.88 4.03 0.00 1.75 1.69 0.93 0.68 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 32 N 8.26 4.38 0.00 3.01 2.87 0.00 0.00 6.90 6.78 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 33 A 8.19 4.21 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 4.06 0.00 3.22 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 35 D 8.66 4.38 0.00 2.98 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 36 G 8.48 3.66 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 0.00 0.00 0.00 37 A 8.07 3.92 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 38 L 7.67 3.74 0.00 1.70 1.58 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.86 3.94 0.00 1.86 1.69 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.25 4.34 0.00 2.77 2.97 0.00 0.00 7.22 8.79 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 41 A 7.15 4.54 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 42 G 8.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 4.60 1.85 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 1.18 0.70 0.89 0.00 0.00 44 G 8.34 3.69 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 45 N 8.02 4.95 0.00 2.69 2.81 0.00 0.00 6.71 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 46 V 7.42 4.51 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 0.75 0.00 0.00 0.97 0.00 0.00 47 N 8.57 4.65 0.00 2.73 2.79 0.00 0.00 6.96 7.85 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 48 L 8.50 4.23 0.00 1.72 1.66 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.08 4.23 1.89 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 1.32 0.86 0.93 0.00 0.00 50 R 8.55 3.96 0.00 1.80 1.87 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 51 I 8.25 4.56 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 1.48 0.82 0.97 0.00 0.00 52 S 8.34 4.20 0.00 3.93 3.80 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