NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4791 8.1627 118.3438 55.2018 33.6159 172.9118 2 Q 4.1536 8.5463 120.4546 56.5355 29.5092 175.1680 3 Y 4.7514 9.5163 124.3455 56.2953 42.2664 173.9602 4 K 4.7000 8.3411 117.7718 54.8081 36.2412 174.4637 5 L 4.4255 9.2045 129.9489 53.6526 43.8052 174.8146 6 I 4.5790 8.1650 127.8763 59.5848 39.3741 174.3377 7 L 4.6495 8.6597 129.7051 53.2692 44.2140 174.6241 8 N 4.8507 8.5242 123.6522 51.6732 41.8203 174.5855 9 G 4.1138 7.8531 110.3607 46.2109 0.0000 171.1571 10 K 4.3915 8.1346 115.7951 58.5769 33.6849 178.8588 11 T 4.0223 7.8107 112.5273 65.3261 68.7847 174.4379 12 L 4.7369 7.2252 121.8442 53.6006 45.3666 174.8721 13 K 4.5654 8.2258 122.8178 54.1066 36.2286 176.2359 14 G 3.9986 6.8493 108.3639 45.6886 0.0000 170.5142 15 E 5.1059 8.1387 118.2900 55.0085 32.9849 175.6190 16 T 4.7675 8.7032 114.4970 60.5260 72.4373 173.4783 17 T 5.0662 8.2438 117.4978 62.7121 72.4579 173.3484 18 T 4.8657 9.1648 118.5934 60.3669 71.8503 171.6993 19 E 5.3096 8.9425 125.2103 54.5353 31.8689 174.7718 20 A 4.9210 8.4492 128.3273 49.8060 21.6988 176.5488 21 V 3.7039 8.5935 117.4509 64.9304 31.7899 175.3823 22 D 4.5818 7.6962 116.5025 52.5664 44.2356 174.8096 23 A 4.4378 8.9926 121.6006 55.1325 18.3246 180.0086 24 A 3.9762 8.0044 118.3562 55.2174 18.3471 179.7549 25 T 3.8545 7.7175 113.5370 66.4602 68.9116 176.6941 26 A 3.8968 7.7464 122.5043 55.4036 18.4047 179.4003 27 E 4.3105 7.6236 115.4329 59.6411 29.3415 179.4549 28 K 3.8209 7.4785 117.6154 59.6737 32.5785 178.5981 29 V 3.6511 8.5627 119.5206 66.0785 31.5134 177.8532 30 F 4.0684 8.2221 117.6813 60.5317 38.4726 178.0183 31 K 3.3718 8.0006 117.4144 59.2783 31.8420 178.3805 32 Q 4.0180 7.6212 118.4493 59.7335 28.8585 178.4874 33 Y 3.9741 8.0461 115.6770 60.4379 38.7973 178.0023 34 F 4.9156 8.2632 117.3662 58.1874 39.6463 176.4520 35 N 4.9438 8.1525 115.1657 52.4423 40.7410 171.4433 36 D 4.7372 8.0988 119.8589 53.1977 43.0548 175.2902 37 N 4.2947 9.5454 110.8460 54.5002 36.3674 174.9074 38 G 4.0002 8.4657 102.3711 46.5688 0.0000 174.6457 39 V 4.1453 8.1411 118.9665 64.8339 32.5944 177.4941 40 D 4.5333 8.6199 117.1683 53.5074 38.8025 174.0812 41 G 3.9592 8.2761 108.8083 46.1068 0.0000 173.1729 42 E 4.2277 9.8455 121.3380 56.2607 30.6180 175.7236 43 W 4.6933 8.9108 125.9436 56.0888 31.0146 175.8033 44 T 4.9083 8.0347 118.1643 62.3413 72.7919 172.2152 45 Y 4.9797 8.6033 124.7523 55.8611 42.8925 173.2951 46 D 4.2203 8.7961 125.3944 52.7326 43.8574 175.3070 47 D 4.5686 8.3597 124.8423 56.4089 41.6936 177.5931 48 A 4.3228 7.7133 118.6242 53.4408 18.6077 177.5277 49 T 4.4054 9.5860 105.0333 60.0859 68.8022 175.2740 50 K 3.8459 7.7541 115.7054 58.2866 31.2058 173.0040 51 T 4.8580 8.0319 123.3232 63.3631 73.9557 172.1226 52 F 5.0606 8.6786 121.0897 56.1712 44.0741 174.4899 53 T 4.5138 8.2139 117.0269 62.0521 72.1702 172.9208 54 V 4.0924 8.1441 127.4054 61.6820 33.2938 175.2086 55 T 4.9186 8.5433 123.3885 62.4268 71.4513 173.6026 56 E 4.6136 8.7856 127.1521 57.1537 29.6781 176.6757 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 4.48 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.03 0.00 2 Q 8.55 4.15 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 3 Y 9.52 4.75 0.00 3.59 3.33 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 0.00 0.00 0.00 0.00 4 K 8.34 4.70 0.00 1.79 1.70 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.49 7.81 5 L 9.20 4.43 0.00 1.16 1.59 0.42 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.17 4.58 1.88 0.00 0.00 0.78 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 0.70 0.86 0.00 0.00 7 L 8.66 4.65 0.00 1.49 1.55 0.38 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.52 4.85 0.00 2.66 2.61 0.00 0.00 6.38 7.07 0.00 0.00 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 G 7.85 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 10 K 8.13 4.39 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.37 7.81 11 T 7.81 4.02 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 12 L 7.23 4.74 0.00 1.70 1.53 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.23 4.57 0.00 1.72 1.61 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 14 G 6.85 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 15 E 8.14 5.11 0.00 1.78 1.79 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 2.15 2.25 0.00 16 T 8.70 4.77 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 17 T 8.24 5.07 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 18 T 9.16 4.87 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 1.07 0.00 0.00 19 E 8.94 5.31 0.00 2.28 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 2.26 2.45 0.00 20 A 8.45 4.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.59 3.70 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 0.74 0.00 0.00 0.97 0.00 0.00 22 D 7.70 4.58 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.99 4.44 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.00 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.85 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 1.19 0.00 0.00 26 A 7.75 3.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.62 4.31 0.00 2.06 1.88 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 1.47 1.47 0.00 28 K 7.48 3.82 0.00 1.92 1.94 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.40 7.81 29 V 8.56 3.65 1.84 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 0.60 0.00 0.00 0.89 0.00 0.00 30 F 8.22 4.07 0.00 2.64 2.95 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 0.00 0.00 0.00 0.00 31 K 8.00 3.37 0.00 1.70 1.37 0.00 1.45 0.00 0.00 1.11 0.00 0.00 2.48 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.98 7.81 32 Q 7.62 4.02 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 33 Y 8.05 3.97 0.00 2.51 2.21 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 34 F 8.26 4.92 0.00 3.66 3.38 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 0.00 35 N 8.15 4.94 0.00 2.53 2.90 0.00 0.00 6.81 8.40 0.00 0.00 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 D 8.10 4.74 0.00 2.65 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.55 4.29 0.00 3.05 2.88 0.00 0.00 7.38 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 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 39 V 8.14 4.15 2.28 0.00 0.00 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 1.10 0.00 0.00 40 D 8.62 4.53 0.00 3.04 2.96 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 41 G 8.28 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 42 E 9.85 4.23 0.00 2.16 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 2.35 2.44 0.00 43 W 8.91 4.69 0.00 3.35 3.45 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 0.00 44 T 8.03 4.91 4.17 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 1.20 0.00 0.00 45 Y 8.60 4.98 0.00 3.19 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 46 D 8.80 4.22 0.00 2.54 2.33 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 0.00 0.00 0.00 0.00 47 D 8.36 4.57 0.00 2.49 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.32 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 49 T 9.59 4.41 4.17 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 1.16 0.00 0.00 50 K 7.75 3.85 0.00 1.85 1.97 0.00 1.21 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.44 7.81 51 T 8.03 4.86 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 1.12 0.00 0.00 52 F 8.68 5.06 0.00 2.62 2.31 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 53 T 8.21 4.51 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 1.10 0.00 0.00 54 V 8.14 4.09 1.72 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 0.88 0.00 0.00 0.11 0.00 0.00 55 T 8.54 4.92 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 1.20 0.00 0.00 56 E 8.79 4.61 0.00 2.07 1.76 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 0.00 2.35 2.34 0.00