NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1471 8.0093 120.7863 60.5617 39.1559 175.4895 4 S 3.9497 8.6135 119.8957 60.4279 63.1276 173.3310 5 A 3.9470 8.7971 125.0266 52.7721 18.9853 178.3690 6 R 4.1905 8.5982 121.1924 56.9250 30.8959 175.9700 7 N 4.8538 7.8846 117.3380 51.7216 40.4413 174.3065 8 Q 4.8510 8.6304 122.9665 54.2814 31.8027 174.1064 9 L 4.7255 9.1409 125.0732 52.6048 44.1404 176.2864 10 K 4.6419 8.7605 123.8772 56.4583 33.2614 176.4806 11 G 4.1139 9.1783 110.3449 45.6995 0.0000 171.0127 12 K 5.0565 8.5273 120.8063 54.0206 35.0647 175.5681 13 V 4.0181 9.1401 128.0280 63.7820 32.1817 176.1487 14 V 4.3911 8.3833 120.9187 60.6351 32.7509 176.0281 15 G 4.1179 7.7726 105.2074 45.6733 0.0000 172.8158 16 L 4.9983 8.4021 124.2345 53.6105 45.4723 174.2910 17 K 4.5270 9.4579 127.9428 54.6300 35.1135 174.6396 18 K 4.6301 8.8285 127.5269 54.8728 32.9230 176.4653 19 G 4.0635 8.5112 120.2310 45.7440 0.0000 174.1324 20 V 3.9938 8.5283 119.2446 64.3210 32.7695 177.1959 21 V 4.0771 7.7869 118.0914 63.7108 32.9394 174.6711 22 T 5.0665 7.3775 108.3837 60.3302 72.2268 172.6690 23 A 4.9890 8.8305 120.8793 51.0327 23.2071 174.9002 24 E 4.9858 9.3617 122.3139 54.4815 32.2174 174.8603 25 V 4.7951 9.0153 126.5610 61.0092 34.9228 174.1718 26 V 4.8262 8.7927 127.5959 61.3774 33.7894 173.9560 27 L 5.0680 8.6309 128.5357 53.1870 44.4024 175.3005 28 E 4.9667 8.9056 124.2164 55.0267 31.2121 175.1676 29 I 5.0495 8.3760 121.7645 58.6221 41.0510 174.4229 30 A 3.8449 8.5465 123.5953 54.5170 18.3326 178.5601 31 G 3.9608 9.1261 109.3209 45.7515 0.0000 174.7317 32 G 3.9593 7.8707 107.1930 44.8382 0.0000 174.1891 33 N 4.5635 7.5721 117.6245 53.3207 39.7074 174.1326 34 K 5.0188 8.5726 121.1706 54.7783 35.0065 175.4966 35 I 4.5170 8.8740 124.7505 59.8588 39.8458 174.5322 36 T 5.0754 8.5354 123.3406 61.8776 70.6842 173.8820 37 S 4.6238 8.9593 120.2081 56.5640 66.0558 172.3871 38 I 5.0205 8.5487 127.8238 59.8972 38.7857 174.4432 39 I 4.8675 8.4464 122.0919 58.8879 41.5461 174.7694 40 S 4.6874 8.5097 115.5798 57.9877 64.1199 174.5322 41 L 3.9140 8.8143 125.4790 58.6766 41.8116 179.0305 42 D 4.3988 8.2252 118.1058 57.8930 40.7253 179.2177 43 S 4.1272 8.0877 115.2371 61.6249 62.5626 176.9793 44 V 3.6271 7.7123 120.4371 65.6600 30.9392 177.7850 45 E 3.9423 7.9531 117.7604 58.8522 29.5696 178.2061 46 E 4.2142 7.9594 117.5373 58.7477 29.8247 178.5839 47 L 4.2579 7.9833 118.3955 55.5762 41.7825 177.8220 48 G 3.9690 8.1088 106.1543 45.2494 0.0000 173.4851 49 V 3.6680 6.9362 119.1225 62.7414 31.9670 175.3353 50 K 4.5242 8.1020 124.1691 55.0204 36.0518 174.6341 51 E 4.1109 8.4310 121.4798 57.6747 30.0135 176.8351 52 G 4.0040 9.1291 113.4303 45.2594 0.0000 174.0488 53 A 4.2162 7.5113 121.7118 52.0483 19.7213 176.2137 54 E 5.0266 8.6062 119.9588 55.0114 31.3545 175.4280 55 L 4.8176 9.0232 123.3670 53.8647 47.2862 174.6835 56 T 5.1050 8.3622 115.6564 61.8517 71.2135 173.9817 57 A 4.4428 9.4600 129.3296 51.1987 20.2734 176.2428 58 V 4.9080 8.3429 121.8165 61.1669 34.3525 175.0043 59 V 4.4717 9.0478 126.9230 60.9270 35.2320 174.2111 60 K 4.1375 8.7672 129.1521 56.2071 33.1696 177.1154 61 S 4.1262 9.1133 123.0404 62.2365 62.7696 176.5729 62 T 4.1216 7.8676 106.2882 63.1493 68.5287 174.2110 63 D 4.6164 8.1300 121.7474 54.3827 41.6479 176.2475 64 V 4.0498 7.5856 120.3209 61.7269 32.0757 175.3553 65 M 4.5364 8.3683 126.6450 54.0120 33.8333 175.2257 66 I 4.5174 7.9929 119.8964 59.3909 40.2722 174.9189 67 L 4.5533 8.5993 126.1914 53.1667 43.7220 175.8250 68 A 4.3352 8.5801 127.7961 52.2935 19.1941 176.0591 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 3 I 8.01 4.15 1.87 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 1.47 1.34 0.91 0.00 0.00 4 S 8.61 3.95 0.00 4.10 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.80 3.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 4.19 0.00 1.81 1.98 0.00 3.18 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 7 N 7.88 4.85 0.00 2.81 2.74 0.00 0.00 6.67 7.59 0.00 0.00 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 8.63 4.85 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 9 L 9.14 4.73 0.00 1.53 1.56 0.92 1.05 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 10 K 8.76 4.64 0.00 1.64 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 G 9.18 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 12 K 8.53 5.06 0.00 1.82 1.63 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.34 7.81 13 V 9.14 4.02 2.23 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 0.72 0.00 0.00 1.02 0.00 0.00 14 V 8.38 4.39 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 0.76 0.00 0.00 0.99 0.00 0.00 15 G 7.77 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 16 L 8.40 5.00 0.00 1.60 1.51 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.46 4.53 0.00 1.78 1.60 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.38 7.81 18 K 8.83 4.63 0.00 1.67 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.37 1.43 7.81 19 G 8.51 4.06 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 0.00 0.00 0.00 20 V 8.53 3.99 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 0.81 0.00 0.00 0.93 0.00 0.00 21 V 7.79 4.08 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 1.08 0.00 0.00 0.93 0.00 0.00 22 T 7.38 5.07 4.38 0.00 0.00 0.00 0.00 0.00 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 23 A 8.83 4.99 1.23 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 0.00 0.00 0.00 24 E 9.36 4.99 0.00 1.99 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 2.21 2.22 0.00 25 V 9.02 4.80 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 0.89 0.00 0.00 0.93 0.00 0.00 26 V 8.79 4.83 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 1.02 0.00 0.00 0.93 0.00 0.00 27 L 8.63 5.07 0.00 1.65 1.54 0.92 0.47 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 28 E 8.91 4.97 0.00 2.05 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 2.23 2.24 0.00 29 I 8.38 5.05 1.87 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 1.16 0.73 0.95 0.00 0.00 30 A 8.55 3.84 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 31 G 9.13 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 32 G 7.87 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 33 N 7.57 4.56 0.00 2.67 2.75 0.00 0.00 6.78 8.11 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 34 K 8.57 5.02 0.00 1.61 1.70 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 35 I 8.87 4.52 1.87 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 1.23 1.25 0.91 0.00 0.00 36 T 8.54 5.08 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 37 S 8.96 4.62 0.00 3.85 3.64 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 0.00 0.00 0.00 0.00 38 I 8.55 5.02 1.87 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 1.40 0.76 0.91 0.00 0.00 39 I 8.45 4.87 1.87 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 1.28 1.14 0.91 0.00 0.00 40 S 8.51 4.69 0.00 4.02 4.02 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 41 L 8.81 3.91 0.00 1.75 1.72 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.23 4.40 0.00 2.72 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 43 S 8.09 4.13 0.00 4.02 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 44 V 7.71 3.63 2.20 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 1.03 0.00 0.00 0.98 0.00 0.00 45 E 7.95 3.94 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 46 E 7.96 4.21 0.00 1.97 2.00 0.00 0.00 0.00 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 2.48 0.00 47 L 7.98 4.26 0.00 1.62 1.72 0.92 0.88 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 48 G 8.11 3.97 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 0.00 0.00 0.00 49 V 6.94 3.67 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 0.79 0.00 0.00 0.93 0.00 0.00 50 K 8.10 4.52 0.00 1.81 1.63 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.51 7.81 51 E 8.43 4.11 0.00 1.92 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 2.29 2.46 0.00 52 G 9.13 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 53 A 7.51 4.22 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 5.03 0.00 1.85 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 2.23 2.32 0.00 55 L 9.02 4.82 0.00 1.52 1.51 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.36 5.10 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 1.26 0.00 0.00 57 A 9.46 4.44 1.25 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 0.00 0.00 58 V 8.34 4.91 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 0.82 0.00 0.00 0.93 0.00 0.00 59 V 9.05 4.47 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 0.86 0.00 0.00 0.93 0.00 0.00 60 K 8.77 4.14 0.00 1.83 1.66 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.46 7.81 61 S 9.11 4.13 0.00 3.92 3.93 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 0.00 0.00 0.00 62 T 7.87 4.12 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 63 D 8.13 4.62 0.00 2.86 2.74 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 64 V 7.59 4.05 2.15 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 0.77 0.00 0.00 1.02 0.00 0.00 65 M 8.37 4.54 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 66 I 7.99 4.52 1.87 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 0.88 0.91 0.00 0.00 67 L 8.60 4.55 0.00 1.54 1.53 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.58 4.34 1.22 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