NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1192 8.3349 116.7584 58.7189 63.5303 173.1796 2 H 4.3890 7.9075 125.2328 55.8142 28.9431 174.0552 3 Y 4.7590 8.2889 119.2879 56.5209 39.2218 175.6797 4 E 4.2374 8.7376 124.5964 56.6852 30.2301 175.7401 5 E 4.5823 8.2630 118.7367 55.3581 33.9552 175.5068 6 G 3.9131 8.7858 105.5990 43.8979 0.0000 170.9194 7 P 4.2438 0.0000 0.0000 64.3682 31.3956 177.0913 8 G 3.8352 8.9094 109.8338 45.8710 0.0000 173.7863 9 K 4.4574 8.0403 116.5863 55.7057 33.6630 176.3031 10 N 4.8906 8.0009 115.7942 52.0950 37.9568 174.3680 11 I 4.5036 7.0361 111.1283 58.9229 40.3447 173.8931 12 P 4.4418 0.0000 0.0000 63.5067 31.4723 175.8813 13 F 4.9669 6.6487 113.1279 54.6698 40.5163 174.8118 14 S 4.1888 8.7284 117.6420 58.5035 62.7130 174.1197 15 V 4.4781 8.0590 125.4626 61.4998 31.6562 176.4405 16 E 3.9936 8.0366 122.7718 58.8551 29.6064 177.2097 17 N 4.9192 7.9205 117.3740 51.0862 41.4653 174.6680 18 K 3.6844 8.6530 128.5984 59.8685 32.1743 178.6768 19 W 4.3777 8.9775 120.1762 59.1063 29.1821 178.6034 20 R 4.0326 8.2526 118.3996 59.0099 29.5344 178.2313 21 L 3.9260 8.0274 120.4126 58.1264 42.2220 178.3987 22 L 3.8972 7.7250 119.7716 58.3073 41.7698 179.0455 23 A 3.9889 7.8518 120.1579 55.4238 18.4825 179.2714 24 M 3.9825 8.1507 117.2008 59.0377 32.1093 179.0013 25 M 3.9832 8.6568 118.8240 58.7244 32.1183 178.9847 26 T 4.0219 7.9637 115.7269 66.7285 68.5519 176.7628 27 L 4.0438 8.2102 120.9929 58.1276 41.4889 178.6488 28 F 3.9877 8.4490 120.7812 61.5361 39.2075 177.1270 29 F 4.3031 8.6788 117.6842 59.9732 38.9132 178.1900 30 G 3.7156 8.4046 106.1762 47.9920 0.0000 175.8996 31 S 4.3146 8.4862 118.0741 60.7136 62.5920 176.6519 32 G 3.5162 7.5362 108.5437 47.8187 0.0000 175.1512 33 F 4.3513 8.2341 122.5143 60.6418 39.7008 176.7585 34 A 4.5151 8.6254 120.3973 54.7190 18.2869 179.0791 35 A 4.0139 8.0492 119.6658 55.3774 18.4162 177.9675 36 P 4.0957 0.0000 0.0000 65.6898 31.3111 178.7807 37 F 3.9535 7.8389 116.3028 60.7391 38.8387 177.8756 38 F 4.1421 8.3827 116.3835 60.0774 38.6673 177.8275 39 I 3.7693 7.8479 120.0950 64.3633 36.8830 178.4542 40 V 3.5590 7.7938 119.1383 65.7855 31.1985 177.9956 41 R 3.8179 8.1101 118.4922 59.6363 29.7426 177.6420 42 H 4.1179 8.1966 116.7536 59.6185 29.8584 176.7193 43 Q 4.0482 7.9755 117.9151 59.1264 28.6975 178.5038 44 L 4.0859 8.0252 118.7651 57.1137 42.4579 178.4810 45 L 4.5243 7.9407 119.7596 52.9177 40.8975 176.8013 46 K 4.6076 6.7713 116.0739 54.7288 36.7386 176.9645 47 K 3.9623 8.4098 121.9294 57.4309 32.2465 174.3157 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 S 8.33 4.12 0.00 3.80 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 2 H 7.91 4.39 0.00 3.05 3.20 0.00 5.69 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 3 Y 8.29 4.76 0.00 2.98 2.86 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 4 E 8.74 4.24 0.00 1.98 1.90 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 2.35 2.29 0.00 5 E 8.26 4.58 0.00 1.89 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 2.22 2.50 0.00 6 G 8.79 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 0.00 0.00 0.00 0.00 7 P 0.00 4.24 0.00 2.02 2.02 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 8 G 8.91 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.04 4.46 0.00 1.82 1.77 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.45 7.81 10 N 8.00 4.89 0.00 2.74 2.82 0.00 0.00 5.86 7.81 0.00 0.00 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 I 7.04 4.50 0.97 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.36 0.76 0.00 0.00 12 P 0.00 4.44 0.00 2.23 2.19 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 13 F 6.65 4.97 0.00 3.21 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 14 S 8.73 4.19 0.00 3.86 3.85 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 0.00 0.00 0.00 15 V 8.06 4.48 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 0.76 0.00 0.00 0.99 0.00 0.00 16 E 8.04 3.99 0.00 1.94 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 0.00 2.33 2.39 0.00 17 N 7.92 4.92 0.00 2.76 2.70 0.00 0.00 6.94 6.33 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 18 K 8.65 3.68 0.00 1.57 1.80 0.00 1.12 0.00 0.00 1.16 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.75 0.21 7.81 19 W 8.98 4.38 0.00 3.55 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 4.03 0.00 1.95 1.98 0.00 3.22 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 21 L 8.03 3.93 0.00 1.84 1.78 1.17 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.73 3.90 0.00 1.96 1.91 1.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.85 3.99 1.41 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 0.00 0.00 0.00 24 M 8.15 3.98 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 25 M 8.66 3.98 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.42 0.00 26 T 7.96 4.02 4.66 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 1.30 0.00 0.00 27 L 8.21 4.04 0.00 1.92 1.75 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.45 3.99 0.00 2.98 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.30 0.00 3.20 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 30 G 8.40 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 0.00 0.00 0.00 31 S 8.49 4.31 0.00 3.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 3.52 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 0.00 0.00 0.00 33 F 8.23 4.35 0.00 3.08 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 4.52 1.62 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 0.00 0.00 35 A 8.05 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 1.61 1.83 0.00 3.57 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 37 F 7.84 3.95 0.00 3.17 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 38 F 8.38 4.14 0.00 3.13 3.17 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 0.00 0.00 0.00 0.00 39 I 7.85 3.77 2.02 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 0.83 0.91 0.00 0.00 40 V 7.79 3.56 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.83 0.00 0.00 41 R 8.11 3.82 0.00 1.93 2.10 0.00 3.14 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 42 H 8.20 4.12 0.00 3.25 3.61 0.00 6.01 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 43 Q 7.98 4.05 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 44 L 8.03 4.09 0.00 1.80 1.73 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.94 4.52 0.00 1.60 1.66 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 K 6.77 4.61 0.00 1.77 1.60 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.43 7.81 47 K 8.41 3.96 0.00 1.65 1.60 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.24 7.81