NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5026 8.3044 120.3280 55.2345 33.6150 175.4444 2 T 4.0134 8.3697 117.1405 60.9195 69.5307 174.1944 3 I 3.6860 8.9701 124.7406 64.7211 37.5380 177.9909 4 D 4.4148 8.0997 119.0180 57.4407 40.7678 178.5419 5 E 4.2803 8.1147 118.4820 58.9557 29.6066 179.1875 6 I 3.7568 7.6347 120.1278 64.3788 37.1288 178.4174 7 I 3.7420 7.7943 120.6791 64.4340 36.6945 178.3409 8 E 4.5043 8.2548 119.5139 58.8861 29.4921 178.9918 9 A 4.1426 7.9473 120.4467 55.1954 18.4657 179.7685 10 I 3.6974 7.9130 118.6265 64.3928 37.2964 178.4224 11 E 4.1012 8.5015 118.1406 58.6280 29.1595 178.4720 12 K 4.2689 7.4995 117.5671 56.3165 32.8541 177.0399 13 L 4.3767 7.2548 120.5607 54.5468 42.2687 177.7127 14 T 4.3158 8.6740 114.2434 60.7579 71.2134 176.2450 15 V 3.6081 8.2345 120.8452 65.0582 31.1003 178.2709 16 S 4.0468 7.9728 113.1280 61.2664 62.3037 175.8946 17 E 3.9860 8.0630 120.8917 59.2259 29.0914 179.0512 18 L 3.9151 8.3942 120.6921 58.1140 42.1310 178.9479 19 A 3.9666 8.0694 120.7982 54.9963 18.1897 179.2842 20 E 3.8556 7.9671 117.5487 59.2359 29.7035 178.7854 21 L 3.8943 8.1019 120.5790 58.1127 42.2077 179.1164 22 V 3.5541 7.9792 118.3550 65.8873 31.6111 177.9527 23 K 3.9377 8.1579 119.3822 59.4221 32.0672 179.0100 24 K 3.9519 8.3365 119.1510 59.4296 31.9712 179.3855 25 L 3.6822 8.0353 119.3652 57.3536 41.2106 179.1613 26 E 3.9017 7.7026 118.5217 59.5500 29.7162 178.3964 27 D 4.4719 7.6485 117.0015 57.1126 40.8804 178.8093 28 K 4.0243 7.5668 118.0567 59.0713 32.6776 179.1130 29 F 4.9345 7.5353 116.5938 57.6605 39.1769 176.3539 30 G 4.0665 8.2752 114.2023 45.8391 0.0000 173.7186 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 4.50 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 T 8.37 4.01 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 1.27 0.00 0.00 3 I 8.97 3.69 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 1.64 0.49 0.92 0.00 0.00 4 D 8.10 4.41 0.00 2.72 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 5 E 8.11 4.28 0.00 2.14 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 2.40 2.40 0.00 6 I 7.63 3.76 2.06 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 1.54 1.13 0.93 0.00 0.00 7 I 7.79 3.74 2.03 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 0.78 0.92 0.00 0.00 8 E 8.25 4.50 0.00 2.10 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 2.35 2.35 0.00 9 A 7.95 4.14 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 10 I 7.91 3.70 2.03 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 1.58 1.05 0.92 0.00 0.00 11 E 8.50 4.10 0.00 2.19 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 0.00 2.48 2.30 0.00 12 K 7.50 4.27 0.00 1.88 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.74 7.81 13 L 7.25 4.38 0.00 1.72 1.60 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.67 4.32 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 15 V 8.23 3.61 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 0.80 0.00 0.00 0.93 0.00 0.00 16 S 7.97 4.05 0.00 3.91 3.89 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 17 E 8.06 3.99 0.00 2.30 1.98 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 2.32 2.31 0.00 18 L 8.39 3.92 0.00 1.90 1.84 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.07 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 20 E 7.97 3.86 0.00 2.03 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 0.00 2.28 2.30 0.00 21 L 8.10 3.89 0.00 1.78 1.81 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.98 3.55 2.21 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 0.94 0.00 0.00 0.95 0.00 0.00 23 K 8.16 3.94 0.00 1.96 1.90 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.26 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.50 7.81 24 K 8.34 3.95 0.00 1.83 1.76 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.58 7.81 25 L 8.04 3.68 0.00 1.87 1.66 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.70 3.90 0.00 2.16 2.21 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 2.32 2.36 0.00 27 D 7.65 4.47 0.00 2.66 2.68 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 28 K 7.57 4.02 0.00 1.02 1.44 0.00 1.53 0.00 0.00 1.37 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.51 7.81 29 F 7.54 4.93 0.00 3.05 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 30 G 8.28 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 0.00 0.00 0.00