NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4394 8.1627 118.3249 55.3724 33.6819 173.1477 2 Q 4.8333 8.1897 119.9966 52.7743 31.1826 172.6115 3 I 4.6109 9.2289 119.7144 59.1937 42.4016 173.2471 4 F 5.4913 8.8770 120.9236 55.7796 42.4327 175.0267 5 V 4.9532 9.1578 121.2260 61.2767 34.6870 174.2942 6 K 5.8826 9.3405 127.1277 53.6078 35.7580 176.6010 7 T 4.8428 8.4051 113.6561 60.5373 69.6455 175.3021 8 L 4.0563 8.3060 121.3681 57.0911 41.6433 178.2710 9 T 4.0734 7.6591 112.0919 62.3274 67.6891 174.7983 10 G 4.1043 8.1949 108.6029 45.4174 0.0000 174.4220 11 K 3.9620 8.1602 119.4396 57.4463 33.1094 175.7930 12 T 5.0341 8.5298 121.0564 61.9068 70.8257 173.5303 13 I 4.4194 9.2893 128.7606 60.2422 39.1966 174.7419 14 T 5.0933 8.5854 123.6030 62.0357 70.0843 174.0278 15 L 4.7973 8.8010 126.0350 52.7834 45.6899 175.0688 16 E 4.7992 8.6735 123.3361 55.1482 30.5298 175.1978 17 V 4.6296 9.1443 120.3036 59.9624 36.6292 174.3130 18 E 4.7835 8.8263 120.0371 53.9997 32.3530 176.3676 19 P 4.2916 0.0000 0.0000 65.0969 31.6292 178.4556 20 S 4.3540 7.8574 110.9440 59.0360 63.9779 174.2878 21 D 4.3914 7.6447 122.0529 55.1848 41.4087 176.4565 22 T 4.8308 8.1365 112.9703 60.7861 71.7038 176.0355 23 I 3.7244 8.4723 122.4756 64.4429 36.9691 178.4180 24 E 3.9089 8.3460 120.1832 59.2354 29.4546 178.3660 25 N 4.2596 8.1356 116.5713 56.5514 38.5965 177.3725 26 V 3.5681 7.6069 118.7412 66.0623 31.5363 178.0648 27 K 4.3547 8.5413 119.3773 58.9217 31.8082 179.1742 28 A 3.9986 8.1352 121.0608 55.0563 18.3109 179.8283 29 K 3.9607 8.2037 117.0604 59.6218 31.9999 179.6832 30 I 3.7253 7.9635 120.3822 64.2488 36.9960 178.1600 31 Q 4.1155 8.3115 122.1136 58.8208 28.6747 177.9396 32 D 4.4084 8.2185 118.9241 57.4604 40.9524 178.6298 33 K 4.2846 7.9806 117.1398 57.6249 32.3350 177.4120 34 E 4.4960 8.5430 116.3986 54.9441 31.4129 177.5641 35 G 3.9390 8.5725 106.9359 45.4329 0.0000 173.5161 36 I 4.0614 7.1385 121.8060 59.4982 37.6468 173.9531 37 P 4.4282 0.0000 0.0000 61.7845 32.1220 175.4892 38 P 4.2638 0.0000 0.0000 65.8946 31.3561 178.4211 39 D 4.4009 8.0605 115.5440 55.7702 39.6138 176.7615 40 Q 4.3494 8.2108 118.0309 55.9544 29.2873 174.3771 41 Q 4.9270 8.2780 119.5222 54.0857 31.2206 174.4282 42 R 4.7976 9.0291 124.8792 54.5074 32.8142 174.1541 43 L 5.2483 8.4893 125.8775 53.2566 44.5120 175.4446 44 I 5.1643 8.7039 122.9412 59.6847 41.4326 174.2749 45 F 4.9319 9.0954 127.1450 57.3775 43.2985 173.9175 46 A 3.4637 8.7404 127.2528 53.1541 15.9060 178.5020 47 G 3.8996 8.3843 109.4647 47.3679 0.0000 174.9423 48 K 4.5344 8.0358 122.4675 52.4630 33.3992 181.1852 49 Q 4.5908 8.5704 123.2014 55.3044 29.0942 176.0219 50 L 3.9660 8.7640 125.5430 54.2135 42.9153 176.3033 51 E 4.5065 9.5334 123.4737 55.1288 31.0021 176.9697 52 D 4.3985 9.1814 124.2350 57.5624 41.0693 179.0401 53 G 3.7347 8.0900 107.7579 47.4969 0.0000 174.7677 54 R 4.2684 7.8770 118.9655 55.9904 30.4502 181.3079 55 T 5.0583 8.8157 108.9597 60.5768 70.9637 176.1716 56 L 4.1448 8.6043 122.1596 57.8853 41.9174 180.2798 57 S 4.1244 8.4177 113.5841 61.2662 63.1531 175.9546 58 D 4.1927 8.0023 120.2701 57.0488 40.5471 177.0633 59 Y 4.5911 7.4548 112.0393 57.1818 38.0207 175.1771 60 N 4.2363 8.2264 116.1030 54.2648 36.6197 174.3719 61 I 3.5795 7.8078 119.8183 61.0337 37.3597 175.6137 62 Q 4.7330 8.1786 125.4036 53.2280 31.5505 175.0105 63 K 4.2227 8.2861 117.6145 58.6733 32.9075 176.7863 64 E 3.6572 9.1539 120.1720 56.9304 27.8669 174.9076 65 S 4.6020 7.7455 115.5891 58.9374 64.3790 173.2016 66 T 5.2249 8.6171 117.9925 62.0588 70.7681 173.7749 67 L 4.8927 9.1876 126.7912 53.9603 44.2798 175.2458 68 H 5.3532 9.0020 118.8947 54.4224 31.1410 173.7141 69 L 5.1124 8.8941 124.7365 53.3530 44.4468 175.2656 70 V 4.6074 9.0249 125.4391 60.6545 35.3740 174.4754 71 L 4.4922 8.6697 126.8112 55.0873 42.2021 176.1752 72 R 4.5511 8.5888 124.5349 54.6949 31.3253 175.7401 73 L 4.6144 8.3968 125.9695 53.0680 43.6593 176.4504 74 R 4.2134 8.2951 119.4959 56.1779 31.0273 175.2081 75 G 3.9426 8.4514 106.6200 45.4103 0.0000 172.8359 76 G 3.7304 8.6716 112.0040 45.1788 0.0000 173.6548 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 4.44 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 Q 8.19 4.83 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 1.74 2.14 0.00 3 I 9.23 4.61 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.90 0.75 0.00 0.00 4 F 8.88 5.49 0.00 3.05 2.93 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 5 V 9.16 4.95 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.34 5.88 0.00 1.74 1.70 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.23 7.81 7 T 8.41 4.84 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 1.28 0.00 0.00 8 L 8.31 4.06 0.00 1.64 1.73 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.66 4.07 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 1.23 0.00 0.00 10 G 8.19 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 11 K 8.16 3.96 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.50 7.81 12 T 8.53 5.03 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 1.26 0.00 0.00 13 I 9.29 4.42 1.91 0.00 0.00 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 1.41 0.75 0.93 0.00 0.00 14 T 8.59 5.09 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 1.26 0.00 0.00 15 L 8.80 4.80 0.00 1.46 1.46 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.80 0.00 1.94 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 2.19 2.29 0.00 17 V 9.14 4.63 2.03 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 0.69 0.00 0.00 0.90 0.00 0.00 18 E 8.83 4.78 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 19 P 0.00 4.29 0.00 2.15 2.07 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 20 S 7.86 4.35 0.00 3.96 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 21 D 7.64 4.39 0.00 2.87 2.63 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 22 T 8.14 4.83 4.52 0.00 0.00 0.00 0.00 0.00 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 I 8.47 3.72 2.12 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.03 0.90 0.00 0.00 24 E 8.35 3.91 0.00 2.19 1.95 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 2.31 2.40 0.00 25 N 8.14 4.26 0.00 3.00 2.86 0.00 0.00 6.67 7.69 0.00 0.00 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 V 7.61 3.57 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 1.08 0.00 0.00 0.94 0.00 0.00 27 K 8.54 4.35 0.00 2.00 1.85 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.47 7.81 28 A 8.14 4.00 1.38 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 0.00 0.00 29 K 8.20 3.96 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.59 7.81 30 I 7.96 3.73 2.15 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 1.41 0.79 0.95 0.00 0.00 31 Q 8.31 4.12 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 8.22 4.41 0.00 2.87 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 33 K 7.98 4.28 0.00 1.74 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.59 7.81 34 E 8.54 4.50 0.00 2.03 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 2.30 2.36 0.00 35 G 8.57 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.14 4.06 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.29 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.37 1.97 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.25 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.06 4.40 0.00 2.78 2.81 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 0.00 0.00 0.00 40 Q 8.21 4.35 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 8.28 4.93 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 42 R 9.03 4.80 0.00 1.83 1.93 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 43 L 8.49 5.25 0.00 1.58 1.50 0.89 0.83 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 44 I 8.70 5.16 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.79 0.97 0.00 0.00 45 F 9.10 4.93 0.00 2.99 2.70 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 0.00 0.00 0.00 0.00 46 A 8.74 3.46 1.11 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 47 G 8.38 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.53 0.00 1.63 1.68 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.26 7.81 49 Q 8.57 4.59 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.76 3.97 0.00 1.32 1.26 0.73 -0.50 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 51 E 9.53 4.51 0.00 2.06 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 2.39 0.00 52 D 9.18 4.40 0.00 2.76 2.76 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 0.00 0.00 0.00 53 G 8.09 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 54 R 7.88 4.27 0.00 1.79 1.82 0.00 3.26 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 55 T 8.82 5.06 4.46 0.00 0.00 0.00 0.00 0.00 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 56 L 8.60 4.14 0.00 1.92 1.69 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.42 4.12 0.00 3.98 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 58 D 8.00 4.19 0.00 2.67 2.39 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 59 Y 7.45 4.59 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 60 N 8.23 4.24 0.00 3.05 3.02 0.00 0.00 6.94 8.31 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 61 I 7.81 3.58 1.76 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 0.56 0.00 0.00 62 Q 8.18 4.73 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 63 K 8.29 4.22 0.00 1.81 1.78 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.46 7.81 64 E 9.15 3.66 0.00 2.18 2.34 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 2.23 2.48 0.00 65 S 7.75 4.60 0.00 3.81 3.84 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 66 T 8.62 5.22 4.33 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 1.23 0.00 0.00 67 L 9.19 4.89 0.00 1.56 1.59 0.83 0.70 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 68 H 9.00 5.35 0.00 3.17 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.89 5.11 0.00 1.73 1.52 0.98 0.62 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 70 V 9.02 4.61 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 1.02 0.00 0.00 0.93 0.00 0.00 71 L 8.67 4.49 0.00 1.55 1.60 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.59 4.55 0.00 1.82 1.81 0.00 3.25 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 L 8.40 4.61 0.00 1.65 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.30 4.21 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 75 G 8.45 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.67 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