NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5883 8.4249 119.2046 53.7962 38.8758 172.3024 3 T 4.1518 7.9625 118.5749 60.5316 68.1626 170.6867 4 E 4.5858 9.0583 127.6069 54.6233 33.0726 175.7268 5 E 4.5226 8.4750 123.0839 55.4263 28.4561 177.5210 6 T 4.3923 7.4892 114.6330 63.4939 68.7636 174.4425 7 T 4.4111 8.1631 122.3004 61.6489 70.2476 174.1938 8 K 4.6272 8.6784 126.3362 55.9586 32.8985 175.8822 9 A 5.2021 9.0033 126.2729 50.0369 22.8041 174.8764 10 R 4.5304 8.9276 116.7664 54.0833 33.2055 175.1936 11 I 4.1738 8.0693 121.1359 62.0186 37.5291 176.3566 12 M 4.1189 9.4645 128.8166 57.8114 32.6609 175.9948 13 D 4.7113 7.6769 117.0816 52.6958 45.8209 174.4445 14 V 3.8448 8.4632 123.6210 63.1451 31.1663 175.4518 15 L 3.9976 8.7154 130.6943 56.4055 41.1937 180.0766 16 G 4.0781 8.3087 112.8201 45.9731 0.0000 171.7292 17 K 5.1423 8.6756 118.5381 55.3438 34.7028 175.9776 18 T 4.4464 8.3008 119.0069 62.8931 73.2687 171.2299 19 G 3.7336 8.7836 115.4790 45.4954 0.0000 174.7597 20 S 4.0530 8.7008 120.8304 59.9909 63.0847 176.0058 21 R 4.0129 8.0536 118.6365 57.0801 29.7952 176.4786 22 G 4.0951 8.4098 106.9904 46.4211 0.0000 174.8606 23 G 4.0931 7.8635 107.0685 44.8078 0.0000 173.8421 24 I 4.1313 7.6281 120.5712 61.3928 38.7577 175.1149 25 T 5.0098 8.6363 121.5165 61.8243 71.9939 172.6762 26 Q 5.0417 8.8235 126.2560 54.5042 31.5753 174.4846 27 V 4.7932 9.1424 125.1715 61.2193 35.8791 173.6153 28 R 4.8633 9.0359 127.2287 55.4621 31.5320 175.4902 29 V 4.9371 9.6212 126.3919 61.1860 35.2627 174.1404 30 V 4.7197 8.6643 122.9712 61.1485 34.9767 174.6220 31 L 4.8127 8.0545 125.0982 54.1760 44.3838 176.3510 32 I 4.4118 8.3044 120.7990 61.6294 39.7657 173.7564 33 S 4.4433 8.1137 121.1135 57.2636 65.1614 175.9190 34 G 3.6846 8.7586 110.6804 48.4752 0.0000 175.2524 35 K 3.6003 8.2513 111.8027 59.3485 33.1293 177.3996 36 E 4.1794 9.5954 124.6716 56.4543 28.4231 177.8190 37 E 4.8230 10.7002 120.1329 56.0827 30.7827 174.4143 38 G 4.3096 8.3575 117.0576 45.8673 0.0000 174.5804 39 R 3.8672 7.5839 118.8147 56.9950 30.9192 175.0485 40 Q 5.4330 8.5557 123.9530 53.6542 30.5242 174.8308 41 L 5.3860 8.3002 121.4938 52.1093 46.7828 175.5617 42 I 4.7145 8.4069 121.8254 59.8173 38.0661 175.1642 43 R 4.7620 8.8032 126.1046 54.7677 33.0650 174.8363 44 N 5.2183 8.5447 117.8682 51.9569 40.2522 175.1841 45 V 4.3378 8.8179 125.3171 61.6716 34.3321 174.6550 46 K 4.7177 8.5096 121.3174 56.5902 35.0553 175.3246 47 G 3.6327 9.0947 109.6030 43.6766 0.0000 172.4826 48 A 4.0929 8.2797 122.1226 52.2096 18.5287 177.0500 49 C 4.7654 8.4175 117.3776 57.1978 32.5068 173.8649 50 R 4.5886 9.5381 125.0152 54.2941 32.3304 174.8943 51 V 3.8707 8.1294 118.6493 63.9790 31.8222 176.5053 52 G 4.0023 8.4704 116.0800 44.9154 0.0000 173.3898 53 D 4.7049 7.7835 119.2561 54.3007 42.3742 174.6007 54 V 4.8082 8.1760 117.8804 61.7163 34.4930 175.1048 55 L 4.7552 10.0405 129.4491 53.1778 45.4526 175.1972 56 E 4.5590 8.9009 125.7274 55.9266 29.4111 175.9400 57 L 4.3435 8.4921 125.6818 53.6625 43.2730 178.1039 58 M 4.2768 8.5599 124.5020 53.9245 32.5900 176.5791 59 E 5.9181 7.4957 128.6615 56.6947 30.8408 176.4538 60 C 4.2036 8.2867 122.2752 61.4379 28.6873 174.7171 61 E 4.4760 7.2150 120.4920 54.4073 28.2329 176.7759 62 R 4.1675 7.7338 125.8697 57.4935 35.1409 175.5984 63 E 4.8470 9.3991 116.1611 58.0496 28.0821 175.4314 64 A 4.4140 7.7727 119.4225 52.7649 19.2337 177.0934 65 R 4.4194 7.7259 116.3875 56.2698 32.6577 173.5904 66 R 4.4614 8.1646 119.9075 56.5650 33.0452 174.7839 67 L 4.5530 8.1200 118.5981 52.7417 43.3768 175.3426 68 R 4.1313 7.6583 122.8687 56.9516 29.8371 173.9471 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 2 N 8.42 4.59 0.00 2.68 2.83 0.00 0.00 6.91 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.96 4.15 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 4 E 9.06 4.59 0.00 1.89 1.82 0.00 0.00 0.00 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 2.45 0.00 5 E 8.48 4.52 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 6 T 7.49 4.39 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 7 T 8.16 4.41 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 8 K 8.68 4.63 0.00 1.91 1.73 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 2.00 1.44 7.81 9 A 9.00 5.20 1.20 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 0.00 0.00 10 R 8.93 4.53 0.00 2.14 2.02 0.00 2.77 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 11 I 8.07 4.17 1.94 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 1.11 1.10 0.93 0.00 0.00 12 M 9.46 4.12 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 13 D 7.68 4.71 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.46 3.84 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 0.78 0.00 0.00 0.93 0.00 0.00 15 L 8.72 4.00 0.00 1.72 1.49 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.31 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.68 5.14 0.00 1.63 1.71 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.71 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.38 7.81 18 T 8.30 4.45 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 19 G 8.78 3.73 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 0.00 0.00 0.00 20 S 8.70 4.05 0.00 3.98 4.05 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 0.00 0.00 0.00 0.00 21 R 8.05 4.01 0.00 1.91 2.01 0.00 3.48 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 22 G 8.41 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.86 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 4.13 2.03 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 0.56 1.02 0.00 0.00 25 T 8.64 5.01 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 26 Q 8.82 5.04 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 27 V 9.14 4.79 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 0.92 0.00 0.00 0.93 0.00 0.00 28 R 9.04 4.86 0.00 1.90 1.93 0.00 3.21 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 29 V 9.62 4.94 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 0.92 0.00 0.00 1.00 0.00 0.00 30 V 8.66 4.72 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 31 L 8.05 4.81 0.00 1.78 1.55 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.30 4.41 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 1.11 0.21 0.91 0.00 0.00 33 S 8.11 4.44 0.00 3.88 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.25 3.60 0.00 1.76 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.46 7.81 36 E 9.60 4.18 0.00 1.95 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 2.27 2.28 0.00 37 E 10.70 4.82 0.00 2.00 2.12 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 2.23 2.05 0.00 38 G 8.36 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 3.87 0.00 1.90 1.86 0.00 3.15 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 40 Q 8.56 5.43 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 41 L 8.30 5.39 0.00 1.58 1.50 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.41 4.71 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 1.34 1.42 0.91 0.00 0.00 43 R 8.80 4.76 0.00 1.74 1.83 0.00 3.25 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 44 N 8.54 5.22 0.00 2.58 2.74 0.00 0.00 6.81 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 45 V 8.82 4.34 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 0.97 0.00 0.00 0.93 0.00 0.00 46 K 8.51 4.72 0.00 1.74 1.72 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.45 7.81 47 G 9.09 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.28 4.09 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 49 C 8.42 4.77 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 9.54 4.59 0.00 1.87 1.92 0.00 3.15 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 51 V 8.13 3.87 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 0.78 0.00 0.00 0.93 0.00 0.00 52 G 8.47 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 D 7.78 4.70 0.00 2.61 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 54 V 8.18 4.81 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 0.78 0.00 0.00 0.93 0.00 0.00 55 L 10.04 4.76 0.00 1.76 1.44 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.90 4.56 0.00 1.89 1.92 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 2.31 2.28 0.00 57 L 8.49 4.34 0.00 1.63 1.58 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 58 M 8.56 4.28 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 59 E 7.50 5.92 0.00 2.05 1.86 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 2.13 2.07 0.00 60 C 8.29 4.20 0.00 3.00 2.98 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 61 E 7.22 4.48 0.00 1.96 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 2.30 2.41 0.00 62 R 7.73 4.17 0.00 1.75 1.68 0.00 3.34 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 63 E 9.40 4.85 0.00 2.05 2.30 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 2.20 2.31 0.00 64 A 7.77 4.41 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 65 R 7.73 4.42 0.00 1.72 1.74 0.00 3.28 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 66 R 8.16 4.46 0.00 1.72 1.72 0.00 3.38 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 67 L 8.12 4.55 0.00 1.63 1.56 0.92 0.82 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 68 R 7.66 4.13 0.00 1.72 1.72 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00