NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3250 8.2649 123.5834 51.6595 18.9398 176.4509 2 E 4.1405 8.5458 121.4147 56.7573 30.5670 175.1832 3 K 5.0143 8.7056 121.1893 53.6462 36.9202 174.9234 4 T 4.9679 8.3244 113.0942 59.9477 71.1307 173.0000 5 G 4.2129 8.4947 113.4893 44.4551 0.0000 172.3500 6 I 4.3625 8.0278 125.2604 60.1548 38.7359 175.5274 7 V 4.2463 8.3412 127.8988 62.8758 32.7676 174.3970 8 N 5.2845 8.8883 125.7396 52.0298 40.4777 173.5718 9 V 4.6982 8.1926 118.0424 59.4819 35.7932 176.2182 10 S 4.4667 8.6461 115.1631 59.7961 63.2280 174.3329 11 S 4.6343 7.4598 114.6498 58.4584 67.4508 173.7484 12 S 4.6176 7.4555 114.7507 56.3712 66.1492 172.2366 13 L 4.5011 8.4400 122.4973 53.2687 44.0709 175.1440 14 N 4.9336 8.5042 123.3587 52.7103 40.2603 174.3915 15 V 4.3994 8.2883 122.0204 61.2420 34.1205 174.5815 16 R 5.0716 8.4709 125.8270 54.6359 32.5254 176.4561 17 E 4.4050 8.9240 122.9080 56.4367 30.2645 177.3712 18 G 3.9954 7.9588 108.7424 45.1546 0.0000 175.5396 19 A 3.9094 7.8982 124.4688 51.6728 22.3623 176.3999 20 S 4.2928 7.4101 111.3202 56.8373 64.3154 174.6704 21 T 4.1452 8.3303 110.3470 64.4598 69.1346 174.9795 22 S 4.6481 7.4882 116.5110 57.3028 62.8949 173.3430 23 S 4.1409 7.1598 117.4350 59.0032 63.9418 175.0980 24 K 4.2034 7.4310 123.5174 55.6817 34.4148 175.3134 25 V 4.3212 8.3564 127.5330 62.5044 32.0109 175.5052 26 I 4.3240 8.5263 119.1984 59.7480 39.1677 176.3967 27 G 3.9557 6.9711 107.5852 46.7020 0.0000 170.8996 28 S 5.0196 8.0902 113.7939 57.4449 66.2395 173.5461 29 L 4.9503 8.9085 119.9509 52.6919 45.4205 176.5800 30 S 4.5396 8.7072 116.1696 57.8128 63.5401 174.0264 31 G 3.7099 8.6198 112.1770 46.2431 0.0000 173.8686 32 N 4.2502 8.7540 115.1800 53.8783 37.4416 175.0535 33 T 4.1417 7.6104 116.2596 63.4549 69.5826 173.9823 34 K 4.6765 8.6000 125.3312 56.1139 33.6542 176.6716 35 V 4.5975 8.1910 117.1326 59.5710 35.5422 174.9482 36 T 4.5979 8.5561 115.7486 61.5002 70.3469 173.2774 37 I 5.1089 8.8362 126.8311 58.9416 39.4877 176.3671 38 V 4.4287 8.3641 118.5034 60.7206 33.1156 175.2584 39 G 3.9888 7.1674 108.8706 45.6035 0.0000 171.4668 40 E 5.0262 8.5659 118.6435 54.5332 33.0775 174.6788 41 E 4.4560 9.0645 123.6693 56.0337 33.0341 174.6044 42 G 3.7543 8.1616 117.3510 47.0404 0.0000 173.5243 43 A 4.2800 8.5118 127.1572 51.9184 19.1789 176.2491 44 F 5.0202 7.8734 116.1887 57.1928 43.4253 173.5995 45 Y 5.0629 9.1918 119.3677 56.4486 40.3672 174.6694 46 K 4.6428 8.7640 124.9411 55.4624 33.9116 175.4764 47 I 5.1626 8.2751 119.8875 57.8468 41.5600 174.5836 48 E 4.4280 8.7653 124.6991 55.7098 29.1836 175.0531 49 Y 4.2669 8.5113 127.9623 56.1141 39.8030 175.1319 50 K 3.8610 6.9138 125.2050 60.5027 31.1156 176.0356 51 G 4.1194 8.7124 113.4557 46.1240 0.0000 172.2579 52 S 4.3970 7.9404 112.9832 58.5186 66.3483 172.6001 53 H 5.2233 9.0330 116.7138 54.3174 30.2782 174.6953 54 G 4.0086 8.6585 111.0684 45.3613 0.0000 171.9937 55 Y 5.3661 9.0475 119.7206 56.1059 41.6673 175.2145 56 V 5.1210 8.7869 115.3836 59.4515 36.6185 175.1770 57 A 4.3012 9.0916 125.7088 51.6103 19.2285 179.1475 58 K 4.3257 7.9606 119.7006 59.3898 32.9874 179.2716 59 E 3.7691 7.8695 120.0025 59.0160 29.9126 176.6649 60 Y 4.5635 7.5322 114.5787 58.0936 38.3325 174.4775 61 I 4.7907 7.5333 121.9805 59.3030 39.0776 175.0160 62 K 4.5417 8.3345 125.1600 55.6784 35.6531 174.1837 63 D 4.4915 8.4967 122.1243 55.3603 37.5037 172.1536 64 I 4.3983 7.4559 118.4952 60.1813 37.9074 176.0132 65 K 4.7212 8.5458 125.6178 54.3925 36.8758 175.8435 66 D 4.3931 8.6723 122.6395 54.7457 42.0613 175.7278 67 E 4.9764 8.2619 118.2117 56.1181 30.9755 174.9396 68 V 3.8836 7.9361 119.4203 61.2984 32.6797 172.1996 69 L 3.5411 7.9860 125.6702 54.4940 41.3320 174.2195 70 E 4.0327 8.5952 122.6618 56.3723 29.9928 176.3189 71 H 4.2068 8.5407 121.5493 56.4307 30.7389 174.2827 72 H 3.9705 7.9380 120.0835 56.9543 27.0528 173.3773 73 H 4.1522 8.2961 119.3349 58.1489 29.1904 176.1339 74 H 3.9769 7.9504 118.8724 56.4775 29.9090 173.7322 75 H 4.4543 8.4289 126.9460 55.4735 30.5662 174.4819 76 H 4.4225 8.6430 122.5403 56.5392 28.4895 175.0152 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 4.33 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 E 8.55 4.14 0.00 1.95 1.89 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 2.32 2.35 0.00 3 K 8.71 5.01 0.00 1.55 1.57 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.33 7.81 4 T 8.32 4.97 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 1.20 0.00 0.00 5 G 8.49 4.21 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 0.00 6 I 8.03 4.36 2.04 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 1.32 0.82 0.92 0.00 0.00 7 V 8.34 4.25 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 0.93 0.00 0.00 0.99 0.00 0.00 8 N 8.89 5.28 0.00 2.78 2.75 0.00 0.00 7.02 7.02 0.00 0.00 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 V 8.19 4.70 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 0.95 0.00 0.00 0.90 0.00 0.00 10 S 8.65 4.47 0.00 4.00 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 11 S 7.46 4.63 0.00 3.93 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 12 S 7.46 4.62 0.00 3.82 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 13 L 8.44 4.50 0.00 1.70 1.49 0.39 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.50 4.93 0.00 2.54 2.67 0.00 0.00 6.81 7.64 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 15 V 8.29 4.40 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 0.67 0.00 0.00 0.95 0.00 0.00 16 R 8.47 5.07 0.00 1.96 1.74 0.00 3.17 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 17 E 8.92 4.40 0.00 1.97 1.96 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 2.35 2.33 0.00 18 G 7.96 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 0.00 0.00 0.00 19 A 7.90 3.91 0.78 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 0.00 0.00 20 S 7.41 4.29 0.00 3.92 3.75 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 21 T 8.33 4.15 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 1.38 0.00 0.00 22 S 7.49 4.65 0.00 3.78 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 23 S 7.16 4.14 0.00 3.75 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 24 K 7.43 4.20 0.00 1.70 1.59 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.39 7.81 25 V 8.36 4.32 2.05 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 0.88 0.00 0.00 0.91 0.00 0.00 26 I 8.53 4.32 1.72 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.32 0.90 0.00 0.00 27 G 6.97 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 28 S 8.09 5.02 0.00 3.93 3.78 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 29 L 8.91 4.95 0.00 1.56 1.58 1.00 0.87 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 30 S 8.71 4.54 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.62 3.71 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 0.00 0.00 0.00 32 N 8.75 4.25 0.00 2.89 2.93 0.00 0.00 7.00 7.17 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 33 T 7.61 4.14 4.31 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 1.22 0.00 0.00 34 K 8.60 4.68 0.00 1.64 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.47 7.81 35 V 8.19 4.60 2.11 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 0.89 0.00 0.00 1.02 0.00 0.00 36 T 8.56 4.60 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 1.20 0.00 0.00 37 I 8.84 5.11 1.91 0.00 0.00 0.55 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 2.27 1.06 0.00 0.00 38 V 8.36 4.43 2.10 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 0.93 0.00 0.00 0.95 0.00 0.00 39 G 7.17 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 40 E 8.57 5.03 0.00 2.18 1.89 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 2.17 2.16 0.00 41 E 9.06 4.46 0.00 2.17 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 2.21 2.31 0.00 42 G 8.16 3.75 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 0.00 0.00 0.00 43 A 8.51 4.28 0.91 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 0.00 0.00 0.00 44 F 7.87 5.02 0.00 3.06 3.14 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 45 Y 9.19 5.06 0.00 3.01 2.87 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 0.00 0.00 0.00 46 K 8.76 4.64 0.00 2.01 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 0.95 7.81 47 I 8.28 5.16 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.75 0.98 0.00 0.00 48 E 8.77 4.43 0.00 2.02 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 2.24 2.29 0.00 49 Y 8.51 4.27 0.00 3.14 2.87 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 0.00 0.00 0.00 50 K 6.91 3.86 0.00 1.13 1.51 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.12 7.81 51 G 8.71 4.12 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 0.00 0.00 0.00 52 S 7.94 4.40 0.00 3.91 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 9.03 5.22 0.00 3.11 2.95 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.66 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 55 Y 9.05 5.37 0.00 3.02 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 56 V 8.79 5.12 2.32 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 0.92 0.00 0.00 1.14 0.00 0.00 57 A 9.09 4.30 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 58 K 7.96 4.33 0.00 2.02 1.89 0.00 1.17 0.00 0.00 1.51 0.00 0.00 2.67 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.21 7.81 59 E 7.87 3.77 0.00 1.64 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 1.85 2.11 0.00 60 Y 7.53 4.56 0.00 3.16 2.97 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 61 I 7.53 4.79 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.06 0.80 0.00 0.00 62 K 8.33 4.54 0.00 1.75 1.58 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.39 7.81 63 D 8.50 4.49 0.00 2.83 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 64 I 7.46 4.40 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.41 0.78 0.00 0.00 65 K 8.55 4.72 0.00 1.60 1.61 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.39 7.81 66 D 8.67 4.39 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.98 0.00 1.85 1.79 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 2.14 2.23 0.00 68 V 7.94 3.88 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 0.96 0.00 0.00 0.93 0.00 0.00 69 L 7.99 3.54 0.00 1.86 1.69 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.60 4.03 0.00 1.92 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 2.31 2.29 0.00 71 H 8.54 4.21 0.00 3.14 3.24 0.00 5.88 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.94 3.97 0.00 3.37 3.34 0.00 5.98 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.30 4.15 0.00 3.11 3.34 0.00 5.96 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 7.95 3.98 0.00 3.08 3.07 0.00 5.72 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 75 H 8.43 4.45 0.00 3.07 3.15 0.00 6.00 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.64 4.42 0.00 3.04 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00