NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5829 8.1633 120.3270 54.9446 35.3617 177.8380 2 K 4.5405 8.4093 123.0042 55.2055 30.9080 175.5455 3 V 3.7285 8.8294 123.6011 63.9649 33.2275 173.7162 4 R 4.2590 7.7870 120.7504 56.5773 32.3697 174.1678 5 A 4.3465 8.6328 118.6030 52.2136 19.9828 177.0257 6 S 4.3723 7.5380 109.2568 56.0500 62.8633 171.4225 7 V 4.0559 8.0148 124.5030 61.1027 32.0847 175.1349 8 K 4.5602 7.7985 123.3562 54.9731 36.0216 175.6628 9 R 4.3241 8.3778 118.9595 55.7480 29.5064 176.4032 10 I 4.1769 8.1845 123.3986 60.1127 37.6254 175.7798 11 C 5.4393 8.2843 121.9521 59.1077 30.9205 175.7391 12 D 4.2369 8.0918 124.2893 56.2464 40.3141 177.9583 13 K 4.1901 8.0800 116.7108 57.1648 32.0499 176.1273 14 C 4.8531 8.4418 117.6736 59.0800 29.6279 173.4046 15 K 4.5317 9.6803 121.1897 54.9113 36.1748 176.1698 16 V 4.3785 8.5622 125.1772 62.3666 31.0014 175.4630 17 I 4.2915 8.6423 128.6732 59.9787 39.2742 176.3541 18 R 5.2671 8.1111 121.6467 55.0518 29.8446 175.3707 19 R 3.9732 7.9509 114.1572 57.4660 30.8527 175.8020 20 H 3.7780 9.0806 118.6376 57.4844 24.6526 175.3535 21 G 4.1051 8.1302 102.6979 46.1324 0.0000 172.5226 22 R 4.4457 7.7631 118.2604 53.8960 32.2169 175.1202 23 V 4.2892 8.3680 123.9435 63.1456 32.3994 174.8017 24 Y 4.7388 8.7281 126.1148 56.9355 40.8049 175.4663 25 V 4.9028 8.1718 120.0027 62.0659 34.4960 173.4806 26 I 4.9141 8.8801 128.8324 60.0709 40.8287 174.4897 27 C 5.5130 8.1336 123.0575 58.3666 34.2678 172.8598 28 E 4.0144 8.9109 119.3631 57.6427 29.6889 175.9730 29 N 4.6402 7.8207 116.7532 50.3865 36.7594 173.9238 30 P 4.2382 0.0000 0.0000 64.7828 32.0763 177.5892 31 K 4.1683 7.9654 119.0434 59.8160 32.3001 178.3179 32 H 4.4115 8.6150 113.8975 56.6760 28.8257 175.2250 33 K 4.2036 7.7639 121.3705 57.1375 32.8522 174.6960 34 Q 5.3845 9.5034 127.4858 55.2957 28.6498 175.1161 35 R 3.9316 8.3103 122.1897 55.3559 31.2099 173.1756 36 Q 4.3721 8.1261 128.5751 54.9318 29.8677 175.8141 37 G 3.7383 9.1073 114.3930 46.6247 0.0000 172.4729 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 M 8.16 4.58 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 2 K 8.41 4.54 0.00 1.81 1.22 0.00 1.82 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.61 1.45 7.81 3 V 8.83 3.73 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 0.77 0.00 0.00 0.89 0.00 0.00 4 R 7.79 4.26 0.00 1.89 1.97 0.00 2.84 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 0.00 5 A 8.63 4.35 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 6 S 7.54 4.37 0.00 3.76 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 7 V 8.01 4.06 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 0.91 0.00 0.00 0.91 0.00 0.00 8 K 7.80 4.56 0.00 1.67 1.67 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 9 R 8.38 4.32 0.00 1.79 1.90 0.00 3.20 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 10 I 8.18 4.18 1.38 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.35 0.81 0.00 0.00 11 C 8.28 5.44 0.00 3.19 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 12 D 8.09 4.24 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.08 4.19 0.00 1.84 1.88 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.46 7.81 14 C 8.44 4.85 0.00 2.88 2.88 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 15 K 9.68 4.53 0.00 1.51 1.65 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.38 7.81 16 V 8.56 4.38 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 0.80 0.00 0.00 0.95 0.00 0.00 17 I 8.64 4.29 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.29 0.91 0.00 0.00 18 R 8.11 5.27 0.00 1.77 1.86 0.00 3.09 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 19 R 7.95 3.97 0.00 1.92 1.84 0.00 2.62 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.15 0.00 20 H 9.08 3.78 0.00 3.48 3.55 0.00 5.96 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.13 4.11 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 0.00 0.00 0.00 22 R 7.76 4.45 0.00 2.44 1.90 0.00 3.41 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.95 0.00 23 V 8.37 4.29 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 1.05 0.00 0.00 0.95 0.00 0.00 24 Y 8.73 4.74 0.00 3.01 2.88 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 25 V 8.17 4.90 2.19 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 1.16 0.00 0.00 1.00 0.00 0.00 26 I 8.88 4.91 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 0.94 0.00 0.00 27 C 8.13 5.51 0.00 2.97 2.79 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 28 E 8.91 4.01 0.00 1.95 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 0.00 2.27 2.28 0.00 29 N 7.82 4.64 0.00 2.86 2.90 0.00 0.00 5.98 7.76 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 30 P 0.00 4.24 0.00 2.20 2.27 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 31 K 7.97 4.17 0.00 1.88 1.94 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.46 7.81 32 H 8.62 4.41 0.00 3.08 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.76 4.20 0.00 2.00 1.81 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.47 7.81 34 Q 9.50 5.38 0.00 2.03 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 35 R 8.31 3.93 0.00 1.52 1.75 0.00 2.70 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 36 Q 8.13 4.37 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 37 G 9.11 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00