NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3778 8.1693 120.6647 54.6886 43.0125 176.1066 6 T 4.2094 8.0277 110.4482 60.7935 69.7817 172.5084 7 E 4.1373 9.6311 123.2078 58.5270 30.7378 177.7054 8 T 5.0612 7.5521 115.2972 62.0005 71.9783 173.2844 9 M 4.9156 9.2784 126.6376 52.8484 35.2931 173.6463 10 P 5.1371 0.0000 0.0000 62.2083 33.3421 175.0145 11 F 5.2605 8.5450 115.4033 55.4263 41.6413 173.4039 12 R 5.2105 8.7190 115.4640 54.8439 32.6750 174.0232 13 M 5.0787 9.2187 120.0559 54.1055 36.0674 173.8469 14 T 5.1358 8.6154 114.3827 60.1809 71.8783 172.6826 15 M 4.9410 9.3015 123.6535 53.8366 36.1620 173.3407 16 E 4.9405 8.4060 123.9464 54.6725 33.2054 174.4452 17 G 3.7555 7.4630 110.2112 45.9094 0.0000 172.1260 18 T 5.2962 8.3758 115.9462 61.6111 72.1079 174.0724 19 V 4.1624 8.8009 125.5625 61.9514 33.6904 175.0815 20 N 4.2671 9.9674 125.5195 54.2998 36.0166 175.4579 21 G 3.8790 8.5123 106.3033 45.4339 0.0000 173.4669 22 H 4.5824 8.1256 120.6491 55.3051 29.9292 173.6631 23 H 5.2417 8.4082 124.6199 55.6879 30.3272 174.3470 24 F 5.1982 8.7843 116.0846 56.0648 41.9187 173.0514 25 K 5.1916 9.4608 118.2143 55.1659 36.5413 175.4074 26 C 5.6321 9.2642 120.6233 58.2669 32.6416 173.1260 27 T 5.1910 8.9354 111.2458 60.2315 72.0201 172.9817 28 G 4.6440 9.0039 108.4074 45.0899 0.0000 171.9177 29 K 4.9700 9.1216 120.8449 54.7899 36.9545 175.9267 30 G 3.7877 8.2543 110.8803 45.5554 0.0000 171.0382 31 E 5.0734 8.5588 116.3592 55.4939 33.4952 174.3111 32 G 4.4518 9.0451 106.9447 45.9562 0.0000 171.8946 33 N 5.6450 9.1029 117.8538 50.2697 38.6192 174.8985 34 P 4.1023 0.0000 0.0000 65.4074 31.5518 177.9520 35 F 4.5623 7.7721 115.8198 58.9429 39.2588 176.0225 36 E 4.3313 8.3210 118.0358 55.7774 29.9376 176.2343 37 G 3.9156 8.0889 107.0821 46.7158 0.0000 173.4324 38 T 4.9276 7.5507 108.3146 59.7756 72.1444 172.4636 39 Q 5.2253 8.3235 118.9317 55.7083 31.4823 172.9979 40 D 5.1770 9.1982 120.0454 53.1390 45.3182 174.4340 41 M 5.1644 8.6076 117.4994 54.1598 34.6340 173.7440 42 K 4.6774 9.2384 119.6206 54.8008 34.9649 175.3905 43 I 4.9976 8.2588 124.0996 59.4248 40.2952 174.3491 44 E 4.5750 9.1759 127.6730 54.1715 32.5894 174.9204 45 V 4.4627 8.5258 127.3404 62.8040 31.2817 175.2626 46 I 4.3672 8.6834 122.2233 61.6075 38.8315 175.8201 47 E 4.5604 8.0513 122.1298 55.8107 33.9481 175.9612 48 G 4.2232 8.6087 110.6571 46.8207 0.0000 173.5419 49 G 4.0134 7.7540 107.6758 42.9523 0.0000 172.3866 50 P 4.3044 0.0000 0.0000 61.7739 31.9958 176.4385 51 L 3.5816 8.3130 121.5669 55.0125 41.7123 175.0015 52 P 4.6521 0.0000 0.0000 62.2854 31.4728 175.2936 53 F 4.8407 6.8151 111.5080 55.4092 40.6517 173.6103 54 A 4.0560 8.7689 124.5245 52.4829 18.6621 178.6623 55 F 4.0878 9.0028 125.1095 61.2604 39.5204 176.6128 56 D 4.5059 8.4732 118.6118 57.5792 40.3541 178.6243 57 I 3.8459 7.4333 111.7662 62.8015 37.7905 177.1624 58 L 4.3083 7.9101 120.3820 55.1175 41.9222 178.3779 59 S 4.0183 7.3328 115.7834 61.9112 62.8436 176.3256 60 T 4.2228 7.7878 106.2355 62.7660 68.7189 174.7362 61 S 4.6123 7.8968 117.6590 58.8702 64.3074 173.9446 62 C 4.3926 7.7687 123.0360 59.9926 27.8426 173.2972 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 L 8.17 4.38 0.00 1.43 1.60 0.73 0.56 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 6 T 8.03 4.21 4.29 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 1.25 0.00 0.00 7 E 9.63 4.14 0.00 2.14 2.14 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 2.68 2.47 0.00 8 T 7.55 5.06 4.26 0.00 0.00 0.00 0.00 0.00 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 9 M 9.28 4.92 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.80 0.00 10 P 0.00 5.14 0.00 2.02 1.98 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 11 F 8.55 5.26 0.00 3.07 3.12 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 0.00 0.00 0.00 12 R 8.72 5.21 0.00 1.81 1.90 0.00 3.00 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 13 M 9.22 5.08 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 14 T 8.62 5.14 4.27 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 1.24 0.00 0.00 15 M 9.30 4.94 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 16 E 8.41 4.94 0.00 1.89 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 2.01 2.25 0.00 17 G 7.46 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.38 5.30 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 1.12 0.00 0.00 19 V 8.80 4.16 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.75 0.00 0.00 20 N 9.97 4.27 0.00 2.82 2.86 0.00 0.00 7.32 7.65 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 21 G 8.51 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.13 4.58 0.00 3.37 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.41 5.24 0.00 3.12 3.15 0.00 5.68 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.78 5.20 0.00 3.34 3.30 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 25 K 9.46 5.19 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.37 7.81 26 C 9.26 5.63 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 27 T 8.94 5.19 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 28 G 9.00 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 4.97 0.00 1.61 1.55 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.36 7.81 30 G 8.25 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 31 E 8.56 5.07 0.00 2.07 1.86 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 2.11 2.24 0.00 32 G 9.05 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.10 5.65 0.00 2.78 2.84 0.00 0.00 6.69 7.52 0.00 0.00 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 P 0.00 4.10 0.00 1.50 1.93 0.00 3.80 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 1.45 1.82 0.00 35 F 7.77 4.56 0.00 3.10 3.11 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 36 E 8.32 4.33 0.00 2.00 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 2.31 2.38 0.00 37 G 8.09 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 0.00 0.00 0.00 38 T 7.55 4.93 4.27 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 1.23 0.00 0.00 39 Q 8.32 5.23 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 40 D 9.20 5.18 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.61 5.16 0.00 2.25 2.16 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 2.60 2.74 0.00 42 K 9.24 4.68 0.00 1.62 1.69 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 43 I 8.26 5.00 1.75 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 1.13 0.00 0.00 44 E 9.18 4.58 0.00 1.96 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 45 V 8.53 4.46 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 0.95 0.00 0.00 0.90 0.00 0.00 46 I 8.68 4.37 1.90 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 1.36 0.82 0.94 0.00 0.00 47 E 8.05 4.56 0.00 2.02 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 2.35 0.00 48 G 8.61 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 0.00 0.00 0.00 0.00 49 G 7.75 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 0.00 0.00 0.00 50 P 0.00 4.30 0.00 2.12 2.02 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 51 L 8.31 3.58 0.00 1.29 0.97 0.61 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.65 0.00 2.16 2.03 0.00 3.24 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.46 0.00 53 F 6.82 4.84 0.00 3.03 2.99 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 0.00 0.00 0.00 54 A 8.77 4.06 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.00 4.09 0.00 3.06 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 56 D 8.47 4.51 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.43 3.85 1.79 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.46 0.88 0.00 0.00 58 L 7.91 4.31 0.00 0.79 1.47 0.78 0.93 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 59 S 7.33 4.02 0.00 3.98 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 60 T 7.79 4.22 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 1.19 0.00 0.00 61 S 7.90 4.61 0.00 3.98 3.93 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 0.00 0.00 0.00 62 C 7.77 4.39 0.00 3.13 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