NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.9554 8.2076 120.4341 52.8279 42.0903 174.0594 9 F 5.2473 7.4970 112.5940 55.3987 41.3739 168.5979 10 V 4.5685 9.1822 113.0915 59.6152 35.7559 175.9809 11 V 4.7382 8.6794 124.1532 61.4565 33.6085 174.5196 12 I 4.9748 8.8346 128.3204 59.3551 40.7704 174.0704 13 K 4.9876 9.2720 128.4536 54.3382 34.8026 174.7443 14 A 4.4794 8.8149 130.1113 52.0290 18.8814 177.9324 15 V 4.2776 8.8005 123.3615 63.7123 32.5810 174.9996 16 E 4.7352 7.7977 115.9571 54.5561 32.7559 174.2562 17 D 4.5320 8.5204 118.4200 55.2157 41.2485 176.2808 18 G 3.9481 9.0367 108.4388 46.3259 0.0000 174.1883 19 V 3.8644 7.2662 119.2516 63.2539 32.9139 174.3592 20 N 5.3438 9.0086 124.0004 51.4369 41.5163 173.6333 21 V 4.5807 8.8206 124.3793 61.3926 33.5999 174.1341 22 I 4.6560 8.6659 130.0195 59.3819 39.6989 174.9637 23 G 4.2000 8.9506 114.7221 44.7690 0.0000 172.4750 24 L 5.4802 8.7314 125.4417 53.1241 44.0862 176.2245 25 T 4.5224 8.7051 114.2395 61.7037 69.4415 174.1744 26 R 4.3626 7.9138 126.6536 55.9354 30.7703 175.9166 27 G 3.8247 8.8351 112.0875 44.3596 0.0000 172.7084 28 T 3.9718 8.5282 109.5800 64.4238 68.8833 174.3215 29 D 4.7234 7.8141 120.1032 53.1191 42.1928 175.8457 30 T 4.6685 8.3034 118.3661 61.9654 70.8596 173.4054 31 K 4.6768 8.7712 124.7986 54.4019 37.2394 175.8420 32 F 5.2243 8.5949 121.3774 58.0149 39.0853 175.1583 33 H 4.9677 8.8529 118.3588 56.1456 30.5211 174.0423 34 H 4.5980 7.5801 116.3536 55.2557 33.2196 172.2149 35 S 4.8594 8.3790 119.8786 56.3764 64.5247 172.5139 36 E 4.2917 9.1584 130.1336 55.2255 30.6827 175.0097 37 K 4.7444 8.6016 128.7915 55.7583 33.4947 175.5276 38 L 4.9173 8.9751 127.3410 53.1482 44.6405 175.9449 39 D 4.7468 9.3973 124.2219 52.4238 43.1878 176.0118 40 K 3.9350 8.7785 121.7253 58.6526 32.3246 177.2840 41 G 3.9945 9.2501 114.7767 45.3417 0.0000 173.3795 42 E 4.3975 8.0352 119.5179 55.8828 31.1300 175.7812 43 V 4.8766 8.2105 121.0610 61.1249 34.6053 174.3936 44 I 4.5501 8.8422 127.1586 59.1672 41.2311 173.9809 45 I 4.8295 8.3964 128.9444 59.6068 39.0118 174.6536 46 A 4.7219 8.8525 129.1418 50.1104 21.8891 175.2283 47 Q 4.8889 8.5490 120.3430 54.7284 30.7724 175.5441 48 F 4.6588 8.7102 120.4504 57.7836 39.0268 175.3956 49 T 4.6763 8.9865 111.1359 60.3281 71.8082 173.8861 50 E 4.0675 8.9284 121.0546 59.2703 29.7203 177.3342 51 H 4.6686 7.7741 111.5718 55.9069 30.1138 174.0392 52 T 5.2399 8.1816 117.0522 61.8471 70.8819 174.4725 53 S 5.0729 9.0232 119.7448 58.0158 64.8281 173.4134 54 A 5.1595 7.9613 121.6191 51.0580 22.6529 175.2024 55 I 4.9591 8.5694 120.7456 59.3366 40.7719 174.7274 56 K 4.6125 9.0191 127.9666 54.4568 35.0525 174.6295 57 V 4.8205 8.3652 126.1002 61.0260 33.9901 174.3486 58 R 4.4757 8.8725 127.8636 55.3830 32.8467 174.5579 59 G 4.0673 9.0390 111.4706 43.9796 0.0000 172.1726 60 E 4.5628 9.7064 120.5072 55.7021 30.4666 175.1846 61 A 4.9653 8.8713 127.4462 50.8583 23.5563 174.1770 62 L 4.8735 8.9614 122.9011 53.5808 44.3369 175.2631 63 I 5.0214 8.5913 126.5697 59.6092 40.2293 174.4266 64 Q 5.1761 9.1271 125.8854 54.4355 32.0506 174.9017 65 T 4.9387 8.6055 112.1511 59.8358 72.4729 174.4263 66 A 3.8665 8.2334 123.2609 55.5140 18.2418 178.0330 67 Y 4.7044 7.0411 111.0911 58.2034 38.7502 174.7114 68 G 3.9555 7.4701 105.7394 43.9971 0.0000 172.5934 69 E 5.3581 8.5822 119.3996 55.0482 32.5593 175.4086 70 M 4.8729 8.9688 120.8857 53.9024 36.4089 173.3490 71 K 4.9850 8.6096 125.2877 54.6874 34.7083 175.1810 72 S 4.6679 8.8367 122.2115 57.6174 63.9865 172.5595 73 E 5.0394 8.6407 124.0407 54.3486 33.0145 175.9941 74 K 4.1104 8.4649 121.1415 56.6760 32.3388 176.2868 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 8 D 8.21 4.96 0.00 2.88 3.01 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 9 F 7.50 5.25 0.00 3.09 3.01 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 10 V 9.18 4.57 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 0.65 0.00 0.00 0.90 0.00 0.00 11 V 8.68 4.74 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 1.06 0.00 0.00 1.09 0.00 0.00 12 I 8.83 4.97 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.89 0.00 0.00 13 K 9.27 4.99 0.00 1.75 1.63 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.34 7.81 14 A 8.81 4.48 1.26 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 0.00 0.00 0.00 15 V 8.80 4.28 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 0.85 0.00 0.00 0.93 0.00 0.00 16 E 7.80 4.74 0.00 2.04 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 2.16 2.31 0.00 17 D 8.52 4.53 0.00 2.68 2.64 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 18 G 9.04 3.95 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 0.00 0.00 0.00 19 V 7.27 3.86 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 20 N 9.01 5.34 0.00 2.66 2.58 0.00 0.00 6.40 7.22 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 21 V 8.82 4.58 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 0.90 0.00 0.00 0.88 0.00 0.00 22 I 8.67 4.66 1.39 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.42 -0.17 0.00 0.00 23 G 8.95 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.73 5.48 0.00 1.91 1.71 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.71 4.52 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 1.33 0.00 0.00 26 R 7.91 4.36 0.00 1.92 2.01 0.00 3.19 0.00 0.00 3.09 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 27 G 8.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 3.97 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 1.22 0.00 0.00 29 D 7.81 4.72 0.00 2.70 2.64 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 30 T 8.30 4.67 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 1.28 0.00 0.00 31 K 8.77 4.68 0.00 1.74 1.65 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.40 7.81 32 F 8.59 5.22 0.00 2.91 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 33 H 8.85 4.97 0.00 3.13 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.58 4.60 0.00 3.32 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.38 4.86 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 4.29 0.00 2.15 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 2.27 2.29 0.00 37 K 8.60 4.74 0.00 1.78 1.67 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.44 7.81 38 L 8.98 4.92 0.00 1.69 1.50 0.98 0.86 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 39 D 9.40 4.75 0.00 2.55 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 40 K 8.78 3.94 0.00 1.81 1.80 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.61 7.81 41 G 9.25 3.99 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 0.00 0.00 0.00 42 E 8.04 4.40 0.00 2.00 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 2.30 2.36 0.00 43 V 8.21 4.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 44 I 8.84 4.55 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.56 0.88 0.00 0.00 45 I 8.40 4.83 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.57 0.42 0.00 0.00 46 A 8.85 4.72 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 4.89 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.71 4.66 0.00 3.00 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 49 T 8.99 4.68 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 1.29 0.00 0.00 50 E 8.93 4.07 0.00 1.92 1.95 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 2.10 2.27 0.00 51 H 7.77 4.67 0.00 3.23 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.18 5.24 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 53 S 9.02 5.07 0.00 3.85 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 5.16 1.32 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 0.00 0.00 0.00 55 I 8.57 4.96 1.82 0.00 0.00 0.20 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 0.56 0.85 0.00 0.00 56 K 9.02 4.61 0.00 1.71 1.39 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.34 7.81 57 V 8.37 4.82 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 58 R 8.87 4.48 0.00 1.86 1.67 0.00 3.11 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 59 G 9.04 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 60 E 9.71 4.56 0.00 2.01 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 2.29 2.26 0.00 61 A 8.87 4.97 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 62 L 8.96 4.87 0.00 1.75 1.53 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.59 5.02 1.98 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 1.22 0.55 0.92 0.00 0.00 64 Q 9.13 5.18 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 65 T 8.61 4.94 3.91 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 0.00 0.00 1.16 0.00 0.00 66 A 8.23 3.87 1.01 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 67 Y 7.04 4.70 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.47 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 69 E 8.58 5.36 0.00 1.85 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 2.22 2.28 0.00 70 M 8.97 4.87 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 71 K 8.61 4.98 0.00 1.77 1.65 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.60 7.81 72 S 8.84 4.67 0.00 3.96 3.72 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 73 E 8.64 5.04 0.00 1.85 1.80 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 2.19 2.21 0.00 74 K 8.46 4.11 0.00 1.90 1.67 0.00 2.10 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.41 7.81