NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1678 8.0393 114.0557 61.9645 33.1213 173.5788 2 D 4.6076 8.4475 122.3830 53.7357 46.8083 173.6951 3 N 5.0367 8.7164 117.2994 50.0969 43.9486 176.3461 4 K 4.4186 8.7235 116.7350 57.1207 32.0733 179.0366 5 F 4.0364 8.2087 119.0442 60.8696 38.8534 176.9783 6 N 4.4271 8.3984 115.2239 56.4407 38.2986 177.1633 7 K 3.8633 8.0823 120.2627 59.6033 32.3671 178.2746 8 E 3.9439 8.4362 119.6338 59.2863 28.9410 178.9962 9 R 3.9981 8.8181 119.3606 58.8156 30.0337 179.1559 10 V 3.7623 8.5628 119.0613 66.0180 31.5875 178.1407 11 I 3.6529 7.4940 119.3766 64.3357 36.8945 178.4177 12 A 3.9289 8.0417 121.4514 55.2200 18.2211 179.4947 13 I 3.5417 9.1033 117.8448 64.2021 37.7870 178.3412 14 G 3.3760 8.1360 105.9955 47.6613 0.0000 175.3897 15 E 4.0947 8.1801 120.8773 59.3627 29.6414 179.5382 16 I 3.6738 8.4366 120.8171 64.5312 36.9676 178.4209 17 M 4.1898 8.6740 119.3447 57.8523 31.7514 178.4192 18 R 4.2361 7.4283 117.4089 57.9846 30.3709 175.0555 19 L 3.9308 7.2376 118.8421 54.3765 41.3416 175.4283 20 P 4.4299 0.0000 0.0000 64.3302 32.1729 177.4077 21 N 4.5346 8.7425 117.9471 55.3800 39.1485 174.9851 22 L 4.1784 7.7141 117.5840 54.8841 42.7712 177.6026 23 N 4.7411 8.4920 118.7356 52.3608 39.8189 176.2450 24 S 4.1786 8.7071 117.7734 62.0284 62.6003 177.2083 25 L 4.1546 7.8668 120.8933 57.9669 41.4719 179.4266 26 Q 4.0399 8.8205 118.3417 58.8978 28.5415 178.8393 27 V 3.8008 8.5197 119.6436 66.3041 31.5646 178.3159 28 V 3.6518 8.8675 118.8150 65.7093 31.2926 177.6384 29 A 3.9917 8.9568 121.7565 55.3322 18.0039 179.6924 30 F 4.0028 8.3080 116.1331 60.5968 39.0989 177.8893 31 I 3.7610 7.6033 119.6936 64.6723 36.9040 178.2297 32 N 4.5018 8.6860 117.5926 56.3875 38.3594 177.7311 33 S 4.1642 8.2423 116.7870 61.2818 62.4137 176.6205 34 L 4.0932 8.2101 122.2911 57.9005 41.1962 179.8237 35 R 4.1003 7.4518 113.2829 59.3569 29.6122 178.3228 36 D 4.7412 8.0951 118.4519 55.7620 41.2793 175.8690 37 D 4.3257 7.3671 112.4396 53.1300 43.2351 173.3773 38 P 4.3155 0.0000 0.0000 64.3924 31.7443 179.4087 39 S 4.0009 7.9190 113.4567 61.1918 63.0363 174.8693 40 Q 4.4501 8.2442 117.6940 55.6734 28.8620 177.4078 41 S 4.2111 8.1494 116.2839 61.6778 62.4867 176.5244 42 A 3.9579 7.8710 123.7403 54.8808 18.1221 178.9440 43 N 4.3985 7.9604 115.2130 56.5716 38.6898 177.0636 44 L 4.3166 8.3589 122.2898 57.3670 41.5194 179.4876 45 L 3.7536 7.7252 118.8014 57.2463 41.4742 179.3151 46 A 3.9839 7.4617 119.6249 55.1467 18.3571 179.6002 47 E 3.9298 8.7784 117.3185 59.4798 29.2974 179.3240 48 A 3.6111 8.5040 121.3982 55.0436 18.2672 179.8710 49 K 3.8939 9.4452 116.7447 59.5083 32.0619 179.8243 50 K 4.0491 8.0542 118.8648 59.2108 31.8502 179.5213 51 L 4.0490 8.7326 120.6196 57.6582 41.7262 178.8816 52 N 4.2975 9.2168 117.8594 57.0057 38.6956 176.7137 53 D 4.3668 8.0008 118.5965 57.1824 40.9820 178.3528 54 A 4.1548 8.2319 120.8818 54.9475 18.4931 179.4444 55 Q 3.9893 8.7696 115.9409 58.0259 30.4669 176.5780 56 A 4.3656 7.4598 118.2349 51.7336 16.2494 177.3047 57 P 4.5301 0.0000 0.0000 61.6320 30.2317 177.6468 58 K 4.1722 8.2267 121.0198 56.4498 32.0241 177.2850 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 8.04 4.17 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 0.92 0.00 0.00 0.93 0.00 0.00 2 D 8.45 4.61 0.00 2.73 2.66 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 3 N 8.72 5.04 0.00 2.49 2.67 0.00 0.00 6.87 7.31 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 4 K 8.72 4.42 0.00 1.90 1.89 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.59 7.81 5 F 8.21 4.04 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.43 0.00 2.78 2.92 0.00 0.00 6.65 7.89 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 7 K 8.08 3.86 0.00 1.89 1.98 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.57 7.81 8 E 8.44 3.94 0.00 2.30 1.85 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 2.41 2.35 0.00 9 R 8.82 4.00 0.00 2.09 2.00 0.00 3.31 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 1.66 1.72 0.00 10 V 8.56 3.76 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 1.07 0.00 0.00 0.96 0.00 0.00 11 I 7.49 3.65 2.03 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 1.45 0.71 0.90 0.00 0.00 12 A 8.04 3.93 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 13 I 9.10 3.54 1.96 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 1.48 1.36 0.98 0.00 0.00 14 G 8.14 3.38 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 0.00 15 E 8.18 4.09 0.00 2.13 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 2.35 2.49 0.00 16 I 8.44 3.67 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.77 0.93 0.00 0.00 17 M 8.67 4.19 0.00 1.92 2.22 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.80 0.00 18 R 7.43 4.24 0.00 1.96 2.13 0.00 3.27 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 19 L 7.24 3.93 0.00 1.75 1.79 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.43 0.00 2.15 2.17 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 21 N 8.74 4.53 0.00 3.01 2.90 0.00 0.00 6.92 7.39 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 22 L 7.71 4.18 0.00 1.68 1.75 1.02 1.18 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 23 N 8.49 4.74 0.00 3.00 2.95 0.00 0.00 6.09 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 24 S 8.71 4.18 0.00 3.90 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 25 L 7.87 4.15 0.00 1.98 1.70 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.82 4.04 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 27 V 8.52 3.80 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 1.04 0.00 0.00 1.05 0.00 0.00 28 V 8.87 3.65 2.24 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 0.95 0.00 0.00 0.97 0.00 0.00 29 A 8.96 3.99 1.05 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 0.00 0.00 30 F 8.31 4.00 0.00 3.41 3.13 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 0.00 0.00 0.00 0.00 31 I 7.60 3.76 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.95 0.00 0.00 32 N 8.69 4.50 0.00 2.81 2.84 0.00 0.00 7.25 7.61 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 33 S 8.24 4.16 0.00 4.05 3.92 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 34 L 8.21 4.09 0.00 1.76 1.70 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.45 4.10 0.00 2.17 2.18 0.00 3.12 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 36 D 8.10 4.74 0.00 2.87 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 37 D 7.37 4.33 0.00 2.55 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 1.69 1.37 0.00 3.58 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 39 S 7.92 4.00 0.00 3.96 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 40 Q 8.24 4.45 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 41 S 8.15 4.21 0.00 4.00 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 0.00 42 A 7.87 3.96 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 43 N 7.96 4.40 0.00 2.91 2.97 0.00 0.00 7.39 6.68 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 44 L 8.36 4.32 0.00 1.96 2.02 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.73 3.75 0.00 1.49 1.55 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.46 3.98 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 47 E 8.78 3.93 0.00 2.37 2.37 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 2.43 2.39 0.00 48 A 8.50 3.61 0.01 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 0.00 0.00 49 K 9.45 3.89 0.00 1.93 1.82 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 50 K 8.05 4.05 0.00 1.98 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 51 L 8.73 4.05 0.00 1.87 1.87 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.22 4.30 0.00 2.68 2.98 0.00 0.00 7.26 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.00 4.37 0.00 2.87 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 54 A 8.23 4.15 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 55 Q 8.77 3.99 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 56 A 7.46 4.37 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.53 0.00 2.07 2.05 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 58 K 8.23 4.17 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.63 7.81