NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.3543 8.1849 120.6288 54.9411 43.2428 174.9257 13 S 4.5618 7.8701 113.7227 54.6017 66.7296 173.0539 14 P 4.2103 0.0000 0.0000 65.0361 32.2547 176.6037 15 A 4.4692 7.7643 120.7810 52.3502 19.6869 178.5142 16 I 3.7419 7.7631 116.3655 63.8207 38.0327 177.8547 17 R 4.0684 7.8498 118.5198 59.3870 30.1323 178.8699 18 R 4.0732 7.8856 116.1294 57.9574 29.6437 178.4218 19 L 3.9485 7.6936 120.6659 57.8598 41.7630 178.6067 20 L 4.1370 7.7812 118.6752 56.8416 41.5250 178.2317 21 A 4.3023 7.7179 117.9686 52.9009 19.0434 178.2150 22 E 4.0837 7.7229 117.6829 58.5731 30.1381 177.1507 23 H 4.8934 7.4451 111.5175 53.9332 29.9560 174.4681 24 N 4.1656 8.0955 116.6893 53.7419 35.1863 172.6058 25 L 4.6617 8.1344 119.3142 52.8385 46.2298 176.2773 26 D 4.5731 8.6026 122.5725 53.0621 40.8609 177.3221 27 A 4.1246 8.5208 128.3452 54.5058 18.7000 179.3679 28 S 4.0816 8.0605 111.0727 61.2248 62.9745 175.2412 29 A 4.2526 7.8874 121.3973 53.0236 18.8418 177.1945 30 I 4.3079 7.3483 116.7023 59.6042 38.6956 175.3460 31 K 4.3584 8.4936 123.4993 55.2834 32.9958 177.7362 32 G 4.0348 8.5582 114.0201 43.7951 0.0000 173.5060 33 T 4.3970 8.1334 118.2012 61.8748 69.4144 176.0724 34 G 3.8333 8.0336 112.2722 46.2105 0.0000 175.0604 35 V 4.2942 7.8517 119.1359 60.4464 28.6376 174.4522 36 G 3.7952 9.4247 108.9957 44.8184 0.0000 171.7987 37 G 3.7897 8.3196 107.0981 46.0538 0.0000 174.4802 38 R 4.3287 7.7710 117.4575 54.4236 31.7366 175.4823 39 L 4.6237 8.2329 121.9273 54.0839 42.4046 175.8614 40 T 4.5552 7.6886 119.0854 60.8034 71.4835 174.2810 41 R 4.2909 8.3255 118.3158 58.5802 30.3159 178.1097 42 E 4.2684 7.6378 114.8455 57.3523 28.2848 177.5684 43 D 4.6488 7.7053 119.4043 56.5972 42.0127 178.7468 44 V 3.8266 7.6148 118.1047 65.5567 31.5194 177.2429 45 E 3.8731 8.0936 119.2049 59.5303 29.2771 178.8201 46 K 3.8160 7.2669 114.7065 60.0898 32.1523 178.3570 47 H 4.3044 7.9211 117.5048 58.9260 29.8899 175.5412 48 L 4.2716 7.8913 124.3838 55.0055 41.5951 176.7225 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 12 L 8.18 4.35 0.00 1.65 1.71 0.92 0.50 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 13 S 7.87 4.56 0.00 3.90 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 14 P 0.00 4.21 0.00 2.17 2.18 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 15 A 7.76 4.47 1.31 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 0.00 0.00 16 I 7.76 3.74 1.92 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 1.52 0.86 0.93 0.00 0.00 17 R 7.85 4.07 0.00 1.89 1.95 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 18 R 7.89 4.07 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 19 L 7.69 3.95 0.00 2.00 1.76 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.78 4.14 0.00 1.71 1.69 0.92 0.75 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 21 A 7.72 4.30 1.27 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 0.00 0.00 22 E 7.72 4.08 0.00 1.98 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 23 H 7.45 4.89 0.00 3.21 3.29 0.00 5.86 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.10 4.17 0.00 2.84 2.84 0.00 0.00 6.88 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 25 L 8.13 4.66 0.00 1.58 1.50 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.60 4.57 0.00 2.77 2.61 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 27 A 8.52 4.12 1.29 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 0.00 0.00 28 S 8.06 4.08 0.00 3.86 3.94 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 29 A 7.89 4.25 1.25 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 0.00 0.00 0.00 30 I 7.35 4.31 1.94 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 1.37 0.82 0.89 0.00 0.00 31 K 8.49 4.36 0.00 1.74 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.42 7.81 32 G 8.56 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 0.00 0.00 0.00 33 T 8.13 4.40 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 34 G 8.03 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 0.00 0.00 0.00 35 V 7.85 4.29 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 0.76 0.00 0.00 0.93 0.00 0.00 36 G 9.42 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 0.00 0.00 0.00 37 G 8.32 3.79 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 0.00 0.00 0.00 38 R 7.77 4.33 0.00 1.88 1.85 0.00 3.11 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 39 L 8.23 4.62 0.00 1.57 1.58 0.91 0.92 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 40 T 7.69 4.56 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 41 R 8.33 4.29 0.00 1.90 1.95 0.00 3.18 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 42 E 7.64 4.27 0.00 2.07 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 2.35 2.35 0.00 43 D 7.71 4.65 0.00 2.68 2.69 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 44 V 7.61 3.83 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 1.01 0.00 0.00 0.93 0.00 0.00 45 E 8.09 3.87 0.00 2.27 1.94 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 2.31 2.37 0.00 46 K 7.27 3.82 0.00 1.87 1.91 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 H 7.92 4.30 0.00 3.14 3.44 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.89 4.27 0.00 1.79 1.53 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00