NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3431 8.2649 123.5825 51.8895 19.5739 177.3286 3 K 4.0085 7.3124 116.7048 55.5791 35.7985 174.8824 4 E 3.7007 8.3687 117.4559 57.5830 29.1619 173.6576 5 P 4.3343 0.0000 0.0000 66.3350 32.6892 177.1729 6 C 4.7670 7.8814 118.7525 56.8181 29.0492 171.4758 7 V 4.3084 7.0426 129.1428 62.2444 33.4222 173.7682 8 E 4.4801 8.1599 119.5299 56.0226 29.4144 176.4575 9 S 4.6103 7.8693 110.0873 57.8427 64.6770 175.8403 10 L 4.1645 7.9425 119.4386 57.1567 41.5872 178.5844 11 V 3.8734 7.7571 116.6056 64.3677 31.7009 176.0076 12 S 4.6091 7.6807 112.3354 58.9953 63.0132 174.8535 13 Q 4.1653 8.1783 119.7879 60.3209 28.8780 177.3960 14 Y 4.2518 8.1815 112.9052 58.4543 38.0304 177.3641 15 F 3.8713 8.2632 119.9832 60.5195 39.0892 177.1234 16 Q 4.2105 8.0420 115.4621 57.9899 28.7870 177.8524 17 T 3.6870 7.6073 118.4128 66.4823 66.9350 176.7691 18 V 3.3429 7.5260 120.6014 64.5488 31.5320 178.0724 19 T 3.8400 6.9885 112.4190 65.0382 68.0038 175.9798 20 D 4.2415 7.4689 121.2361 57.4508 41.0877 177.3724 21 Y 5.0991 6.4407 119.6162 58.4864 38.2429 177.7604 22 G 3.7236 6.8703 106.4691 47.4908 0.0000 174.8596 23 K 4.2409 8.0767 118.8651 57.4241 32.8345 177.8837 24 D 4.6293 7.7686 117.4061 54.9038 40.6600 177.0281 25 L 4.7688 7.5922 117.3760 54.4532 43.6184 178.0040 26 M 4.1099 8.1666 121.9900 57.9798 32.0303 177.6393 27 E 4.2118 8.1107 115.2364 57.0289 30.6483 176.4253 28 K 4.3690 7.4056 119.3441 55.8783 32.6126 177.2444 29 V 4.5906 7.6339 116.5875 62.4201 37.3810 175.0358 30 K 4.5419 7.3840 115.9941 57.3162 32.6490 177.9841 31 S 4.2733 7.9532 113.2455 60.5315 62.4699 174.3278 32 P 4.4580 0.0000 0.0000 65.2822 30.8862 176.6532 33 E 3.8836 7.7702 120.1870 57.8260 30.2367 176.8385 34 L 3.6330 8.5123 123.2310 56.8288 39.0339 172.9946 35 Q 4.2493 7.4334 119.4979 55.8635 31.2798 175.4278 36 A 4.0813 8.6059 119.7059 55.4167 18.4781 179.4362 37 E 4.3735 8.4001 115.6276 58.0834 29.4754 178.7085 38 A 4.1421 7.5493 121.2986 55.0005 18.4286 179.3399 39 K 4.5026 8.1218 117.0527 59.4832 32.1340 179.5882 40 S 4.6669 8.0680 114.9828 60.4459 63.0378 175.6814 41 Y 3.9116 7.6262 123.1015 60.6870 38.3783 177.7112 42 F 4.4341 7.8223 119.8090 59.9511 38.8315 177.5426 43 E 4.0283 8.2996 117.7016 59.6081 29.2487 179.5060 44 K 4.2854 7.9495 118.4718 58.6853 31.8052 179.3450 45 S 4.3641 8.3021 115.0031 61.2958 63.1751 176.5530 46 K 4.2417 8.1001 121.3142 58.4360 31.4245 178.1531 47 E 4.4473 7.7423 117.8563 56.8824 29.0498 177.9111 48 Q 4.3421 7.7191 117.1442 56.1634 31.9821 177.2572 49 L 4.1025 7.9960 119.2053 58.4472 42.1938 179.1287 50 T 3.9587 7.7183 115.0264 66.2874 68.5707 175.0730 51 P 4.3937 0.0000 0.0000 64.4996 31.0385 178.4074 52 L 3.9031 7.2838 117.9568 58.3027 42.4920 178.5045 53 I 4.0040 7.6558 118.9310 63.7658 37.4096 178.2834 54 K 4.0654 8.1903 119.4199 58.9763 31.6800 179.1201 55 K 4.0179 8.1254 119.7239 58.9381 32.1806 178.2833 56 A 4.5786 7.3808 122.0098 53.6871 17.9876 179.4927 57 G 3.6359 8.1022 104.6941 47.2294 0.0000 174.7675 58 T 4.5081 7.4445 112.1833 62.0847 68.0619 175.5153 59 E 4.2105 7.8097 120.0846 58.8927 30.2037 177.6474 60 L 4.7511 7.8763 115.5507 55.4849 42.1648 178.9740 61 V 3.6759 7.9497 119.2900 65.8904 31.6375 177.2319 62 N 4.5203 7.8194 116.3457 55.6694 38.9613 174.8915 63 F 4.8950 7.6542 118.2410 58.3778 39.2505 175.9620 64 L 4.2377 7.6053 122.5244 57.8274 43.8441 178.8199 65 S 4.1879 8.4789 112.7262 58.5972 60.4860 179.2236 66 Y 3.4079 7.8316 114.0456 59.8249 40.0673 174.4068 67 F 4.0233 9.0046 125.2707 60.8631 40.0159 177.2691 68 V 3.7631 8.0852 119.4268 65.6670 31.7505 176.1550 69 E 4.5743 7.4545 119.8549 55.5164 29.4776 175.5756 70 L 4.5347 7.7281 114.9660 54.5670 44.1664 179.2174 71 G 4.0625 8.6295 113.7717 44.6434 0.0000 172.1518 72 T 4.6879 7.8402 112.1157 59.4657 70.6064 173.0052 73 Q 4.0809 8.4933 125.7926 55.2381 29.5960 174.3635 74 P 4.5425 0.0000 0.0000 63.2785 33.1702 177.4021 75 A 4.7861 7.6918 124.5589 52.4320 19.7838 180.3140 76 T 4.3949 8.5415 114.5899 64.8158 70.5078 174.3200 77 Q 4.1794 8.4037 121.8168 57.3804 28.9279 174.5984 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 A 8.26 4.34 1.30 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 0.00 0.00 3 K 7.31 4.01 0.00 1.69 1.68 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.44 7.81 4 E 8.37 3.70 0.00 2.16 2.40 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 0.00 2.23 2.28 0.00 5 P 0.00 4.33 0.00 2.20 2.13 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 6 C 7.88 4.77 0.00 2.93 2.88 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 7 V 7.04 4.31 2.09 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 0.71 0.00 0.00 0.94 0.00 0.00 8 E 8.16 4.48 0.00 1.89 1.97 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 2.30 2.28 0.00 9 S 7.87 4.61 0.00 3.84 3.74 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 10 L 7.94 4.16 0.00 1.83 1.75 0.92 0.89 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 11 V 7.76 3.87 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 0.88 0.00 0.00 1.04 0.00 0.00 12 S 7.68 4.61 0.00 3.76 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 13 Q 8.18 4.17 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 14 Y 8.18 4.25 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 3.87 0.00 3.35 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.21 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 17 T 7.61 3.69 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 18 V 7.53 3.34 2.37 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 0.86 0.00 0.00 0.97 0.00 0.00 19 T 6.99 3.84 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 1.15 0.00 0.00 20 D 7.47 4.24 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.44 5.10 0.00 3.18 3.08 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 22 G 6.87 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 23 K 8.08 4.24 0.00 1.82 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 24 D 7.77 4.63 0.00 3.00 2.72 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 25 L 7.59 4.77 0.00 1.67 1.62 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.17 4.11 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 27 E 8.11 4.21 0.00 2.16 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 0.00 2.33 2.27 0.00 28 K 7.41 4.37 0.00 1.91 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.52 7.81 29 V 7.63 4.59 2.09 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 0.71 0.00 0.00 0.94 0.00 0.00 30 K 7.38 4.54 0.00 1.84 1.90 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.32 7.81 31 S 7.95 4.27 0.00 3.88 4.03 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 32 P 0.00 4.46 0.00 2.22 2.19 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 33 E 7.77 3.88 0.00 2.36 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 34 L 8.51 3.63 0.00 1.88 1.78 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.43 4.25 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 36 A 8.61 4.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.37 0.00 2.18 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 0.00 2.39 2.19 0.00 38 A 7.55 4.14 1.45 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 0.00 0.00 39 K 8.12 4.50 0.00 2.04 2.00 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.70 7.81 40 S 8.07 4.67 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 3.91 0.00 3.21 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 4.43 0.00 3.34 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 43 E 8.30 4.03 0.00 2.22 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 2.47 2.51 0.00 44 K 7.95 4.29 0.00 1.59 1.81 0.00 1.52 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 45 S 8.30 4.36 0.00 4.18 4.40 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 0.00 0.00 0.00 0.00 46 K 8.10 4.24 0.00 2.01 1.94 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.77 7.81 47 E 7.74 4.45 0.00 2.17 1.97 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 2.34 2.63 0.00 48 Q 7.72 4.34 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 49 L 8.00 4.10 0.00 1.81 1.68 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.72 3.96 4.34 0.00 0.00 0.00 0.00 0.00 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 51 P 0.00 4.39 0.00 2.16 2.10 0.00 3.54 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 52 L 7.28 3.90 0.00 1.90 1.87 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.66 4.00 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 1.64 0.80 0.91 0.00 0.00 54 K 8.19 4.07 0.00 2.06 1.86 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 55 K 8.13 4.02 0.00 2.04 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.45 7.81 56 A 7.38 4.58 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.10 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 0.00 0.00 0.00 58 T 7.44 4.51 4.27 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 1.28 0.00 0.00 59 E 7.81 4.21 0.00 2.00 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 2.31 2.55 0.00 60 L 7.88 4.75 0.00 1.81 1.78 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.95 3.68 2.32 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 0.97 0.00 0.00 0.99 0.00 0.00 62 N 7.82 4.52 0.00 2.76 2.95 0.00 0.00 7.22 6.86 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 63 F 7.65 4.89 0.00 3.20 3.18 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 0.00 0.00 0.00 0.00 64 L 7.61 4.24 0.00 1.87 1.70 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.48 4.19 0.00 3.76 2.82 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 0.00 0.00 0.00 66 Y 7.83 3.41 0.00 3.42 3.20 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 67 F 9.00 4.02 0.00 3.26 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.09 3.76 2.13 0.00 0.00 0.00 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 1.07 0.00 0.00 69 E 7.45 4.57 0.00 2.07 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 2.27 2.25 0.00 70 L 7.73 4.53 0.00 1.67 1.31 0.51 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.63 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 72 T 7.84 4.69 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 73 Q 8.49 4.08 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 74 P 0.00 4.54 0.00 2.09 2.00 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 75 A 7.69 4.79 0.88 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 76 T 8.54 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 1.21 0.00 0.00 77 Q 8.40 4.18 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00