NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.2119 7.9548 113.4528 62.1301 32.6749 177.2308 2 R 2.9428 7.8676 116.8772 56.6776 31.5593 174.7035 3 E 3.9466 8.9340 119.8286 59.7890 31.2069 179.9871 4 V 4.0653 7.7051 110.6790 64.0605 31.7399 178.4058 5 C 4.7199 8.0529 115.1349 58.3728 39.9198 174.1099 6 S 4.5846 7.6046 113.6947 57.9730 63.5307 174.4101 7 E 4.2561 7.8682 121.8455 55.8995 29.9950 176.5083 8 Q 4.0505 8.2614 119.9516 55.3373 29.4545 176.2252 9 A 3.1104 7.5399 123.2793 51.7696 18.4924 176.7184 10 E 4.5724 7.9458 123.8775 54.3844 31.7814 175.8341 11 T 4.3699 8.1102 123.2004 64.4260 68.8496 175.5909 12 G 4.1137 8.1998 107.1427 44.3406 0.0000 170.8741 13 P 4.5173 0.0000 0.0000 63.1175 31.4665 176.7793 14 C 4.6109 7.5996 117.2290 56.3259 41.3683 174.1548 15 R 3.9732 8.2447 118.4599 56.9540 30.2180 176.7273 16 A 4.2839 7.7475 121.4605 51.5786 20.3971 176.9888 17 M 4.9779 8.0930 117.1819 53.4873 32.2293 173.7286 18 I 4.4990 8.7226 121.8871 59.1967 39.8454 175.5573 19 S 4.1270 8.8802 123.6039 59.1899 63.2950 173.8589 20 R 4.8590 8.3857 122.5729 54.5448 35.1866 173.8113 21 W 5.4983 9.6863 119.8387 55.3766 32.8236 174.6711 22 Y 5.5761 9.0963 119.5334 55.4470 41.5525 173.6835 23 F 4.5685 9.6436 124.1890 57.7360 40.5077 174.1962 24 D 4.7115 7.8357 126.8103 52.5408 41.8010 177.3271 25 V 3.7514 8.6575 120.4961 64.9358 32.0570 178.1226 26 T 4.0169 8.0071 115.2490 66.7202 68.3839 175.5786 27 E 4.0037 8.1986 119.0266 56.8254 29.7272 177.0502 28 G 3.7684 8.1604 106.7027 45.5456 0.0000 172.9423 29 K 4.4816 6.6358 116.3732 55.5407 36.1394 175.0883 30 C 5.0172 8.6320 117.6817 56.8735 42.3351 173.2320 31 A 5.0458 8.7920 123.4079 49.5201 22.6856 173.7298 32 P 4.3672 0.0000 0.0000 62.5660 32.6742 175.1752 33 F 4.8351 8.3475 114.9573 56.0726 41.6846 172.5261 34 F 5.0570 8.7848 117.9924 56.1657 40.9447 174.2198 35 Y 4.9799 9.1299 125.5069 56.1092 40.7671 176.2085 36 G 3.9602 8.1464 112.4111 45.6728 0.0000 175.1850 37 G 4.0027 7.1501 108.1844 45.2419 0.0000 172.3247 38 C 4.8883 7.1620 111.8930 54.8369 45.0365 175.7646 39 G 3.5655 9.3712 108.4693 48.2729 0.0000 172.8639 40 G 3.9708 9.1833 109.0582 45.0042 0.0000 170.1891 41 N 5.0162 8.1018 116.6813 51.3854 40.4191 174.1215 42 R 3.9010 8.4016 115.3173 57.9197 30.7852 177.1405 43 N 4.5033 7.9613 119.2911 51.2631 37.2307 174.1769 44 N 4.9451 6.1984 116.4955 52.5488 41.3007 173.1176 45 F 5.0153 9.2747 125.0284 55.5145 42.5626 176.2157 46 D 4.9344 9.1567 122.6144 55.4083 40.1567 176.8573 47 T 4.6798 7.7691 109.6180 58.9200 73.2177 174.1762 48 E 2.9356 7.4809 122.2411 58.8757 29.4659 178.6528 49 E 3.7547 7.7228 118.9047 59.3784 29.7807 178.0703 50 Y 4.2263 7.9652 119.4658 60.8028 38.8375 176.9430 51 C 2.4500 7.7631 119.3311 59.5243 42.0798 175.6097 52 M 3.8474 8.1250 120.2358 57.9510 31.2145 178.5872 53 A 3.9070 7.8074 120.5944 55.1120 18.7527 179.6573 54 V 3.5774 7.4250 116.4651 66.0161 31.4638 177.0752 55 C 4.2546 7.8666 114.1447 57.5424 41.2038 174.1194 56 G 3.6835 7.9216 113.8444 45.6809 0.0000 173.1640 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 V 7.95 4.21 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 1.19 0.00 0.00 0.92 0.00 0.00 2 R 7.87 2.94 0.00 1.94 1.81 0.00 3.27 0.00 0.00 3.20 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 3 E 8.93 3.95 0.00 1.99 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 2.39 2.36 0.00 4 V 7.71 4.07 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 1.27 0.00 0.00 0.98 0.00 0.00 5 C 8.05 4.72 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.60 4.58 0.00 3.98 4.01 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 7 E 7.87 4.26 0.00 1.99 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 2.32 2.28 0.00 8 Q 8.26 4.05 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 9 A 7.54 3.11 -0.21 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 10 E 7.95 4.57 0.00 1.81 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 2.22 2.28 0.00 11 T 8.11 4.37 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 1.26 0.00 0.00 12 G 8.20 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 0.00 0.00 0.00 0.00 13 P 0.00 4.52 0.00 2.18 2.16 0.00 3.95 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 14 C 7.60 4.61 0.00 2.87 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 15 R 8.24 3.97 0.00 1.75 1.92 0.00 3.17 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 16 A 7.75 4.28 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 17 M 8.09 4.98 0.00 1.26 1.72 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 18 I 8.72 4.50 1.97 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 0.93 0.98 0.00 0.00 19 S 8.88 4.13 0.00 3.75 3.71 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 20 R 8.39 4.86 0.00 0.67 1.59 0.00 3.33 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 21 W 9.69 5.50 0.00 3.62 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 22 Y 9.10 5.58 0.00 3.19 2.86 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 23 F 9.64 4.57 0.00 3.04 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 24 D 7.84 4.71 0.00 2.33 2.27 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 25 V 8.66 3.75 2.16 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 1.00 0.00 0.00 0.99 0.00 0.00 26 T 8.01 4.02 4.37 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 1.20 0.00 0.00 27 E 8.20 4.00 0.00 1.79 1.91 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 2.28 2.22 0.00 28 G 8.16 3.77 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 0.00 0.00 0.00 29 K 6.64 4.48 0.00 1.75 1.83 0.00 1.48 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.38 7.81 30 C 8.63 5.02 0.00 2.88 3.31 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 31 A 8.79 5.05 1.02 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 0.00 0.00 32 P 0.00 4.37 0.00 1.49 0.89 0.00 3.61 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 33 F 8.35 4.84 0.00 3.09 3.04 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 34 F 8.78 5.06 0.00 3.11 2.89 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 0.00 0.00 0.00 35 Y 9.13 4.98 0.00 2.56 2.78 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 36 G 8.15 3.96 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 0.00 0.00 0.00 37 G 7.15 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 38 C 7.16 4.89 0.00 3.05 2.98 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 39 G 9.37 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 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 0.00 0.00 0.00 41 N 8.10 5.02 0.00 2.85 2.76 0.00 0.00 5.91 7.66 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 42 R 8.40 3.90 0.00 1.78 1.94 0.00 3.27 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 43 N 7.96 4.50 0.00 2.91 2.85 0.00 0.00 6.85 7.38 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 44 N 6.20 4.95 0.00 2.59 2.40 0.00 0.00 7.08 7.02 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 45 F 9.27 5.02 0.00 3.30 2.86 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 46 D 9.16 4.93 0.00 2.93 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 47 T 7.77 4.68 4.14 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 0.00 0.00 0.00 1.26 0.00 0.00 48 E 7.48 2.94 0.00 1.16 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 1.91 1.50 0.00 49 E 7.72 3.75 0.00 1.96 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 2.32 2.29 0.00 50 Y 7.97 4.23 0.00 2.99 2.94 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 51 C 7.76 2.45 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.12 3.85 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 53 A 7.81 3.91 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 54 V 7.43 3.58 1.56 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 1.05 0.00 0.00 0.82 0.00 0.00 55 C 7.87 4.25 0.00 2.69 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 0.00 0.00 0.00 56 G 7.92 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00