NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2372 8.0433 122.7551 55.0869 43.5602 175.3178 2 E 4.5259 8.6286 125.6538 53.5968 30.9735 174.7239 3 C 4.8172 8.9458 124.2889 55.6633 44.1157 171.4554 4 H 5.1522 9.7207 117.9332 56.0678 28.5546 175.4878 5 N 4.7837 8.6480 119.3316 54.1129 39.1055 175.6525 6 Q 4.2155 8.1107 119.0041 55.7781 28.6115 174.5081 7 Q 4.6069 7.8865 119.4294 55.0753 31.8346 174.4687 8 S 3.9631 8.2869 109.3337 59.3108 62.2365 171.8691 9 S 4.7240 7.3441 112.3592 57.6232 65.6468 173.9082 10 Q 4.0946 8.7717 122.8739 58.7951 28.9253 177.5365 11 T 4.3266 7.3719 113.7594 59.5041 66.0209 171.4789 12 P 4.5998 0.0000 0.0000 62.1276 33.0462 176.0079 13 T 4.8764 8.2282 107.5149 60.1708 71.8437 173.1790 14 T 4.9836 8.1944 112.4241 60.9813 71.0239 173.7896 15 T 4.4561 8.6009 116.4044 61.0737 71.3904 172.7337 16 G 4.2144 8.7380 116.3811 46.1809 0.0000 174.0504 17 C 4.8964 8.6577 121.5164 56.1160 42.3885 172.0957 18 S 4.4384 8.0945 114.7999 57.6808 66.1367 172.7022 19 G 3.9165 9.1605 114.9365 44.2227 0.0000 173.0700 20 G 4.2418 7.1412 107.8694 44.9783 0.0000 173.0700 21 E 4.4936 7.8676 122.1593 54.5528 30.3001 174.9615 22 N 4.9458 8.6179 124.3946 52.8999 39.4161 174.5959 23 N 5.2677 7.9766 114.8446 51.8103 43.3507 173.9603 24 C 5.9710 9.1106 120.7922 54.6259 38.1906 173.8052 25 Y 5.3383 8.5981 122.4885 56.5350 40.0498 175.0977 26 K 4.9902 8.3915 119.2012 55.8270 34.4997 173.0864 27 K 5.5313 9.5357 125.1128 55.0874 34.8714 175.8377 28 E 5.4760 8.9966 121.4411 54.2234 32.6364 174.4893 29 W 5.3450 9.0775 120.9336 54.5511 31.2182 175.0221 30 R 4.9185 8.8078 119.1284 54.6414 31.4849 175.0762 31 D 4.7750 8.0503 116.8585 54.5067 40.4894 175.0613 32 N 4.1684 6.9113 122.6608 52.8740 45.5307 174.9611 33 R 4.1984 8.1715 117.5221 57.0576 31.2917 176.2888 34 G 3.9912 7.4656 105.9549 43.6702 0.0000 170.2142 35 Y 4.8524 7.0065 114.7648 56.1167 40.6947 173.7241 36 R 4.5164 7.3213 119.1458 54.9919 34.8476 174.0211 37 T 5.4625 7.7372 111.5221 61.5972 70.7550 172.0597 38 E 5.0840 9.9224 126.1355 54.9615 33.1197 175.6188 39 R 4.9403 8.8436 119.4467 54.4599 33.7076 174.7901 40 G 3.7124 6.5841 103.3575 46.3749 0.0000 171.0086 41 C 5.3898 8.5401 117.8320 55.5348 42.7999 173.1463 42 G 4.2152 8.9920 114.3917 44.4590 0.0000 173.2165 43 C 4.7159 8.4717 124.7530 53.6218 43.1063 171.3036 44 P 4.5144 0.0000 0.0000 62.5046 32.0062 177.2154 45 S 4.7062 8.1597 114.5775 58.1507 63.0968 174.3223 46 V 4.0612 7.3776 113.8995 60.1090 33.2220 175.9202 47 K 4.5412 8.0750 118.8084 55.4953 33.7759 175.6602 48 K 4.5154 8.2258 121.1604 54.9818 35.9297 176.8702 49 G 3.8799 8.6733 109.9547 48.5738 0.0000 174.5589 50 I 3.9810 7.0426 121.0288 60.9899 37.8846 176.8086 51 G 3.8484 8.7464 113.4393 46.4760 0.0000 172.4904 52 I 5.1432 8.1884 122.7700 59.2669 40.9987 173.5957 53 N 5.3158 8.7330 126.1217 51.5520 41.3611 172.4810 54 C 5.6213 8.6219 115.4794 55.7439 39.9324 172.2334 55 C 5.0630 9.0127 116.4638 53.4343 45.4130 173.6124 56 T 4.6690 7.8177 110.3525 60.0718 66.8372 171.4799 57 T 4.5742 7.1839 117.7264 60.4113 70.9937 171.8480 58 D 4.5189 8.5676 124.7367 54.7631 38.6530 176.2134 59 R 3.8356 8.3994 121.0443 57.0257 28.4547 176.1863 60 C 4.4803 8.0501 114.1810 57.6426 42.3809 174.0573 61 N 4.6890 7.2757 116.8570 51.4705 35.7352 174.3566 62 N 4.4082 7.7403 120.8612 54.2813 39.2668 173.6342 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 L 8.04 4.24 0.00 1.79 1.62 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.63 4.53 0.00 1.97 1.81 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 0.00 2.26 2.24 0.00 3 C 8.95 4.82 0.00 2.84 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 4 H 9.72 5.15 0.00 3.33 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.65 4.78 0.00 2.71 2.91 0.00 0.00 6.91 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.11 4.22 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 7 Q 7.89 4.61 0.00 2.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.20 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 8 S 8.29 3.96 0.00 4.29 4.19 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 9 S 7.34 4.72 0.00 3.90 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 10 Q 8.77 4.09 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 11 T 7.37 4.33 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 12 P 0.00 4.60 0.00 2.25 2.05 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 1.73 1.80 0.00 13 T 8.23 4.88 4.25 0.00 0.00 0.00 0.00 0.00 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 14 T 8.19 4.98 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 1.02 0.00 0.00 15 T 8.60 4.46 4.23 0.00 0.00 0.00 0.00 0.00 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 16 G 8.74 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 17 C 8.66 4.90 0.00 2.88 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 18 S 8.09 4.44 0.00 3.79 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 19 G 9.16 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.14 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 0.00 0.00 0.00 0.00 21 E 7.87 4.49 0.00 2.00 1.85 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 2.46 2.31 0.00 22 N 8.62 4.95 0.00 2.74 2.80 0.00 0.00 6.93 8.00 0.00 0.00 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 N 7.98 5.27 0.00 2.62 2.69 0.00 0.00 6.83 7.68 0.00 0.00 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 C 9.11 5.97 0.00 2.86 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.60 5.34 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.39 4.99 0.00 1.89 1.86 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.34 7.81 27 K 9.54 5.53 0.00 2.14 2.12 0.00 1.79 0.00 0.00 2.30 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.89 1.40 7.81 28 E 9.00 5.48 0.00 1.90 2.04 0.00 0.00 0.00 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 2.25 0.00 29 W 9.08 5.35 0.00 3.45 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 30 R 8.81 4.92 0.00 2.01 2.05 0.00 3.01 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 31 D 8.05 4.77 0.00 2.85 2.84 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 32 N 6.91 4.17 0.00 2.70 2.66 0.00 0.00 7.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.17 4.20 0.00 1.92 2.01 0.00 3.00 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 34 G 7.47 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 35 Y 7.01 4.85 0.00 2.80 2.80 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 0.00 0.00 0.00 36 R 7.32 4.52 0.00 0.82 0.66 0.00 3.10 0.00 0.00 2.94 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.00 37 T 7.74 5.46 4.25 0.00 0.00 0.00 0.00 0.00 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 38 E 9.92 5.08 0.00 2.11 2.17 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 2.30 2.49 0.00 39 R 8.84 4.94 0.00 1.81 1.81 0.00 3.42 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 40 G 6.58 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 41 C 8.54 5.39 0.00 2.98 3.19 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 42 G 8.99 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 0.00 0.00 0.00 0.00 43 C 8.47 4.72 0.00 2.96 3.02 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 0.00 0.00 0.00 0.00 44 P 0.00 4.51 0.00 2.10 1.89 0.00 3.58 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 45 S 8.16 4.71 0.00 3.83 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 46 V 7.38 4.06 2.04 0.00 0.00 0.00 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 0.86 0.00 0.00 47 K 8.08 4.54 0.00 1.79 1.74 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.41 7.81 48 K 8.23 4.52 0.00 1.79 1.68 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.39 7.81 49 G 8.67 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 0.00 0.00 0.00 50 I 7.04 3.98 1.92 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 1.30 0.62 1.15 0.00 0.00 51 G 8.75 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 0.00 0.00 0.00 52 I 8.19 5.14 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.92 0.00 0.00 53 N 8.73 5.32 0.00 2.95 2.89 0.00 0.00 6.33 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 54 C 8.62 5.62 0.00 2.86 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.01 5.06 0.00 2.99 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 56 T 7.82 4.67 4.45 0.00 0.00 0.00 0.00 0.00 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 57 T 7.18 4.57 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 58 D 8.57 4.52 0.00 2.81 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 59 R 8.40 3.84 0.00 2.05 2.05 0.00 3.10 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 60 C 8.05 4.48 0.00 3.06 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.28 4.69 0.00 2.74 2.84 0.00 0.00 6.70 7.95 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 62 N 7.74 4.41 0.00 2.84 2.68 0.00 0.00 7.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00