NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2658 8.2649 123.5821 52.2346 18.6857 175.4987 2 V 4.2774 7.8305 114.6195 58.0885 34.4366 174.0968 3 Q 4.3118 8.4335 118.4581 56.2973 30.2636 175.8012 4 Q 4.4334 8.4837 118.1896 56.1649 30.9731 175.3451 5 N 4.8684 7.8159 113.9734 50.6075 41.9288 173.3681 6 K 4.0729 8.7422 123.4922 55.2709 32.2803 174.5008 7 P 4.2602 0.0000 0.0000 62.9591 31.6816 177.1354 8 T 4.0762 8.3315 116.5436 61.8227 69.4330 175.1915 9 R 3.9145 8.5461 124.5646 59.5431 30.0261 178.7419 10 S 4.0334 8.1677 112.2023 61.7656 62.0636 176.1221 11 K 3.8624 7.5673 120.3564 59.3011 32.0453 178.4851 12 R 4.1136 7.6967 119.3334 59.3454 30.2641 178.4766 13 G 3.7000 8.2976 105.4756 48.1149 0.0000 175.1439 14 M 4.0803 8.0749 120.2331 58.2523 31.9392 178.1786 15 R 4.2176 8.3022 118.7936 58.4867 30.3493 177.7895 16 R 4.1375 7.7800 115.9927 56.6431 29.9951 178.3015 17 S 4.0915 7.2680 115.0860 62.1001 62.9204 175.6099 18 H 4.4103 8.0466 117.8134 57.8341 28.9849 176.1845 19 D 4.7228 7.5324 120.2486 54.0947 40.6764 176.5981 20 A 4.5621 7.6235 128.7608 52.1308 18.8654 176.8185 21 L 4.5715 7.9851 115.2685 55.0184 45.9089 174.3141 22 T 4.5949 8.0224 113.1851 60.1533 70.4677 174.4263 23 A 4.3925 8.2214 129.7474 51.9064 20.2069 177.4114 24 V 3.8166 8.3916 107.4966 62.1828 31.9928 176.2567 25 T 3.3429 8.6040 108.5677 62.4591 67.3278 168.9501 26 S 4.0772 8.3799 122.8336 59.0404 62.9617 170.0619 27 L 4.8596 8.0686 123.2873 53.5816 43.5720 175.6912 28 S 4.6179 8.4266 115.0851 58.1320 64.0361 172.8708 29 V 5.1044 7.9725 120.9008 59.8391 33.8057 174.9413 30 D 4.3687 8.8270 124.1205 54.1077 41.5738 176.1487 31 K 4.0870 8.7422 123.0898 59.5904 32.9454 178.7092 32 T 3.8982 7.9983 114.6822 66.3386 68.9676 173.9329 33 S 4.6634 7.9664 115.6344 56.1666 64.1699 174.7404 34 G 4.0551 8.2131 113.4818 45.6063 0.0000 173.6824 35 E 3.9082 8.4408 120.6784 56.3715 30.5873 176.7977 36 K 4.9273 8.7528 126.7031 55.1138 32.0473 174.1592 37 H 5.1111 9.0198 122.2274 52.8242 32.6777 172.0243 38 L 4.4999 8.2951 120.3539 54.0554 42.5585 176.6526 39 R 3.8465 8.7651 125.1627 57.4829 30.8449 175.8618 40 H 4.7006 9.3006 113.2558 55.8278 27.0935 174.7266 41 H 4.1249 8.6445 114.4426 56.0932 30.8883 174.8323 42 I 3.1866 7.1880 122.9212 60.4862 35.6501 174.8156 43 T 4.2791 9.0116 117.5346 60.4261 69.7024 175.2452 44 A 4.0605 8.3221 124.6009 55.6061 18.5042 178.1764 45 D 4.6840 8.1550 111.7753 52.0491 40.8771 174.3627 46 G 4.3412 8.3879 113.1278 47.3669 0.0000 171.3795 47 Y 4.6018 7.5603 116.5989 57.9091 40.5893 176.3135 48 Y 5.1228 8.2680 126.7199 58.2140 43.7801 177.6144 49 R 4.3549 8.1873 113.3240 54.7625 29.5748 176.3028 50 G 4.1576 8.0326 115.1328 44.5715 0.0000 173.3928 51 R 3.5083 8.6793 122.9415 58.0318 29.3058 176.5134 52 K 3.8843 8.3626 117.4411 55.7630 32.5542 175.9778 53 V 3.2724 7.8155 111.7545 62.4990 31.6237 172.2753 54 I 3.1292 8.5548 132.4459 60.4109 34.9955 174.0535 55 A 4.2679 8.2646 131.9690 52.2769 18.6950 177.2353 56 K 4.1921 8.6915 113.9367 57.9050 34.2080 174.5428 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 A 8.26 4.27 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 2 V 7.83 4.28 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.43 4.31 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.42 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 4 Q 8.48 4.43 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 5 N 7.82 4.87 0.00 2.67 2.66 0.00 0.00 6.84 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 6 K 8.74 4.07 0.00 1.71 1.77 0.00 1.61 0.00 0.00 1.06 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 7 P 0.00 4.26 0.00 2.08 1.99 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 T 8.33 4.08 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 1.23 0.00 0.00 9 R 8.55 3.91 0.00 1.89 1.97 0.00 3.20 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 10 S 8.17 4.03 0.00 3.88 3.86 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 0.00 0.00 0.00 11 K 7.57 3.86 0.00 1.87 1.97 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.51 7.81 12 R 7.70 4.11 0.00 1.91 2.09 0.00 3.16 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 13 G 8.30 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.07 4.08 0.00 2.00 2.27 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 2.72 2.55 0.00 15 R 8.30 4.22 0.00 1.86 2.10 0.00 3.09 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 16 R 7.78 4.14 0.00 2.03 1.94 0.00 3.20 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 17 S 7.27 4.09 0.00 3.88 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.05 4.41 0.00 3.18 3.40 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.53 4.72 0.00 2.67 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 20 A 7.62 4.56 1.24 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 0.00 0.00 0.00 21 L 7.99 4.57 0.00 1.60 1.54 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.02 4.59 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 23 A 8.22 4.39 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 24 V 8.39 3.82 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 0.76 0.00 0.00 0.96 0.00 0.00 25 T 8.60 3.34 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 1.22 0.00 0.00 26 S 8.38 4.08 0.00 4.06 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.86 0.00 1.83 1.61 0.97 0.63 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 28 S 8.43 4.62 0.00 3.90 3.65 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 0.00 0.00 0.00 29 V 7.97 5.10 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 0.77 0.00 0.00 0.96 0.00 0.00 30 D 8.83 4.37 0.00 2.61 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 31 K 8.74 4.09 0.00 1.76 1.77 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.40 7.81 32 T 8.00 3.90 4.41 0.00 0.00 0.00 0.00 0.00 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 33 S 7.97 4.66 0.00 2.72 3.26 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 34 G 8.21 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.44 3.91 0.00 1.79 1.88 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 2.18 2.41 0.00 36 K 8.75 4.93 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.43 7.81 37 H 9.02 5.11 0.00 3.23 3.39 0.00 5.31 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 38 L 8.30 4.50 0.00 1.56 1.20 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.77 3.85 0.00 1.92 2.02 0.00 3.52 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 40 H 9.30 4.70 0.00 3.29 3.47 0.00 5.96 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.64 4.12 0.00 3.07 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.19 3.19 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.92 0.00 0.00 43 T 9.01 4.28 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 1.07 0.00 0.00 44 A 8.32 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 45 D 8.15 4.68 0.00 2.75 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 46 G 8.39 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.56 4.60 0.00 3.05 3.09 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 0.00 0.00 0.00 0.00 48 Y 8.27 5.12 0.00 2.85 2.01 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 49 R 8.19 4.35 0.00 1.50 1.61 0.00 3.03 0.00 0.00 2.99 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 50 G 8.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.68 3.51 0.00 1.92 1.87 0.00 3.42 0.00 0.00 3.16 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 52 K 8.36 3.88 0.00 1.50 1.53 0.00 1.65 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.71 7.81 53 V 7.82 3.27 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 0.91 0.00 0.00 1.08 0.00 0.00 54 I 8.55 3.13 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.39 0.87 0.00 0.00 55 A 8.26 4.27 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 4.19 0.00 1.94 1.81 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.40 7.81