NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1474 8.2549 119.7026 55.1611 31.4480 176.4658 2 Q 2.8975 9.0269 121.3077 57.2559 26.8325 172.8954 3 I 4.0392 8.1134 117.2194 61.5950 38.9609 176.7979 4 K 2.4800 7.2946 118.8826 55.6999 32.5900 176.7590 5 I 4.1631 6.3845 120.7350 60.2221 37.3001 177.6570 6 W 4.3739 7.2710 121.6367 59.8974 29.3573 176.8789 7 F 4.5774 8.3927 116.0156 57.0163 38.8025 175.0826 8 Q 5.5900 6.8383 124.4869 57.3448 33.0177 173.6289 9 N 5.1169 8.1349 111.5228 51.1715 39.4721 174.0456 10 R 4.5174 7.7523 115.6464 56.9202 32.1809 178.5099 11 R 4.1969 8.0968 116.7937 58.4690 30.1179 176.3271 12 M 4.3896 8.1435 115.2802 56.2223 32.6708 175.7710 13 K 4.6911 7.3707 122.6163 57.3770 35.1026 174.6394 14 W 4.3793 7.9166 123.9624 55.8660 27.8184 177.5292 15 K 3.2946 7.6012 118.4410 58.7030 29.6084 175.8234 16 K 5.3661 7.1706 134.2954 57.1483 32.7254 176.1295 17 R 4.4367 6.7553 116.2296 56.2691 32.5783 178.2418 18 V 3.3907 7.4980 118.2673 65.0666 30.8658 178.1619 19 F 4.2679 7.1512 116.9837 59.7460 38.7900 176.9938 20 N 4.4514 8.2584 117.1224 56.6659 38.5073 176.2601 21 D 4.4482 8.0774 119.3972 57.6675 40.8626 178.8633 22 A 4.0598 7.8234 119.0831 54.0789 19.4425 178.6288 23 R 4.4821 7.8495 119.0961 55.8500 27.6595 174.9182 24 D 4.7078 7.6241 118.5172 54.2527 46.1205 176.1196 25 I 4.6016 7.1752 114.5466 61.7575 45.7805 176.1951 26 I 4.5533 6.8669 121.4504 59.9245 37.8639 176.1933 27 Q 3.5966 8.8230 116.4566 55.7179 28.5259 172.2935 28 R 3.8465 8.0234 112.4932 57.2411 26.9585 175.5068 29 M 4.6978 7.7109 113.0529 56.9322 35.9048 175.9013 30 H 4.8287 8.1556 115.9510 55.1798 30.4726 176.5123 31 L 4.3436 7.5627 117.3945 57.8940 40.1678 174.6698 32 R 4.2610 8.9539 119.5507 56.9956 35.5971 174.4593 33 Q 3.3151 8.1752 114.3522 57.4929 26.6780 172.3578 34 Y 4.6341 7.8878 118.4944 56.4739 39.6462 177.5933 35 E 4.1371 8.1705 122.7872 56.8511 29.8615 176.1033 36 L 3.6889 7.7908 116.0788 57.4069 40.4478 177.1797 37 L 3.9524 7.4821 123.1513 56.0289 42.4256 174.0191 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 R 8.25 4.15 0.00 1.79 1.74 0.00 3.29 0.00 0.00 3.22 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 2 Q 9.03 2.90 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.92 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 3 I 8.11 4.04 1.87 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 1.41 0.48 0.94 0.00 0.00 4 K 7.29 2.48 0.00 1.32 1.13 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 5 I 6.38 4.16 1.73 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 1.15 1.44 0.91 0.00 0.00 6 W 7.27 4.37 0.00 3.53 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 7 F 8.39 4.58 0.00 3.04 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 8 Q 6.84 5.59 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.47 7.27 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 9 N 8.13 5.12 0.00 2.81 2.72 0.00 0.00 7.07 7.60 0.00 0.00 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 R 7.75 4.52 0.00 1.96 2.14 0.00 3.15 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 11 R 8.10 4.20 0.00 1.76 2.04 0.00 3.12 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.37 0.00 12 M 8.14 4.39 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 13 K 7.37 4.69 0.00 1.72 1.59 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.96 0.96 7.81 14 W 7.92 4.38 0.00 3.42 3.20 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 15 K 7.60 3.29 0.00 1.94 1.96 0.00 2.09 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.14 1.42 7.81 16 K 7.17 5.37 0.00 1.22 1.53 0.00 1.78 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.17 7.81 17 R 6.76 4.44 0.00 1.56 1.79 0.00 3.21 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.00 18 V 7.50 3.39 1.75 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 -0.17 0.00 0.00 0.70 0.00 0.00 19 F 7.15 4.27 0.00 3.00 3.06 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 20 N 8.26 4.45 0.00 2.79 2.82 0.00 0.00 6.99 8.80 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 21 D 8.08 4.45 0.00 2.87 2.89 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 22 A 7.82 4.06 1.37 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 0.00 0.00 0.00 0.00 0.00 23 R 7.85 4.48 0.00 1.97 1.93 0.00 3.30 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 24 D 7.62 4.71 0.00 2.75 2.52 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 0.00 0.00 0.00 0.00 25 I 7.18 4.60 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.14 0.90 0.00 0.00 26 I 6.87 4.55 1.90 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 1.34 0.78 0.97 0.00 0.00 27 Q 8.82 3.60 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 28 R 8.02 3.85 0.00 1.99 2.04 0.00 3.18 0.00 0.00 3.47 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 29 M 7.71 4.70 0.00 2.06 2.11 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 2.48 2.78 0.00 30 H 8.16 4.83 0.00 3.07 3.33 0.00 5.94 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.56 4.34 0.00 1.78 1.69 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.95 4.26 0.00 1.69 1.92 0.00 3.53 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 33 Q 8.18 3.32 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.71 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 34 Y 7.89 4.63 0.00 3.11 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 35 E 8.17 4.14 0.00 2.05 1.91 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 2.34 2.33 0.00 36 L 7.79 3.69 0.00 1.76 1.79 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.48 3.95 0.00 1.77 1.70 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00