NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4380 8.3044 120.3227 55.3410 33.6203 175.1096 2 D 4.4838 8.1083 120.7164 50.0999 44.8432 174.7738 3 S 4.1406 9.5465 123.8053 61.6630 63.6096 175.7276 4 N 4.3603 8.2214 119.6357 56.3630 38.3167 177.2076 5 T 3.8998 8.2970 117.0687 66.9511 68.5516 176.6257 6 M 4.1538 8.0155 120.5239 58.5229 32.0408 178.9929 7 S 4.7706 8.4243 117.0845 61.3455 62.9737 177.0180 8 S 4.1943 8.5631 118.2888 61.4151 62.5400 176.5476 9 F 4.2995 8.3341 123.4907 61.2687 39.2597 177.2760 10 Q 3.9751 8.2800 117.9578 58.9520 28.5768 179.1761 11 V 3.7492 7.9381 120.1709 65.0820 31.4185 178.1498 12 D 4.4039 8.1743 119.6413 57.0539 40.6341 178.5931 13 C 4.0457 7.9212 117.3173 62.8556 28.1333 175.9898 14 F 4.3683 8.2698 122.2550 61.2586 38.9724 177.2375 15 L 3.8871 8.2509 118.7939 57.1859 41.2600 179.2420 16 W 3.8780 8.3015 128.7054 60.4701 30.6438 177.5247 17 H 4.1113 8.2784 118.2683 59.2238 29.1965 177.3180 18 I 3.4318 7.2703 121.5191 64.3867 36.8911 178.5847 19 R 3.9741 7.6655 118.8215 59.0723 29.7270 179.0924 20 K 3.5400 7.5113 119.5428 59.3900 31.8724 179.1464 21 R 3.8032 7.5262 117.1753 58.9759 30.0965 178.4435 22 F 4.1294 8.4417 120.4959 61.3644 39.4030 177.1030 23 A 3.9398 8.3203 120.3359 55.2727 17.9493 179.3466 24 D 4.3185 8.1309 116.7122 57.1592 40.9383 177.8536 25 N 4.5697 7.6096 114.8279 52.7745 38.7605 175.3443 26 G 3.7359 7.6496 108.4307 46.6470 0.0000 174.7111 27 L 3.9234 7.3680 118.5427 54.2831 42.1923 177.1499 28 G 3.8941 7.2893 108.1806 44.3647 0.0000 174.0901 29 D 4.7288 8.3733 122.7485 51.7505 42.6049 177.3432 30 A 4.0236 8.4267 120.1674 55.1549 18.3214 177.9973 31 P 4.2810 0.0000 0.0000 65.4127 31.3935 178.7039 32 F 4.0306 8.5049 119.4591 61.3847 39.4968 177.3075 33 L 4.1696 8.2473 118.5480 57.5723 41.2874 179.1577 34 D 4.3265 8.1063 118.3584 57.4575 41.1992 178.5097 35 R 3.8888 7.9789 118.6052 58.8485 29.9910 178.7886 36 L 3.8863 7.7250 120.2468 58.1773 41.8396 179.0710 37 R 3.9909 7.8829 118.0816 59.3758 30.0496 178.3577 38 R 3.9246 8.1578 118.4878 59.7774 30.0946 178.3249 39 D 4.4215 8.6050 119.0151 57.2391 40.8809 178.5888 40 Q 3.1390 8.1866 120.2674 58.6418 29.1135 178.2150 41 K 3.8801 7.7159 120.4880 59.4757 32.2525 178.7715 42 S 4.0910 8.0250 113.4538 61.4837 62.3342 176.1994 43 L 4.1805 8.2457 122.0104 57.5140 41.3141 179.6709 44 K 4.0873 7.9876 118.5231 59.1600 31.9697 179.5045 45 G 3.5647 7.9074 105.5159 48.0162 0.0000 175.8816 46 R 3.9391 8.1874 121.4681 58.6462 30.0146 179.4017 47 G 3.2549 8.1382 105.4479 47.6164 0.0000 175.3051 48 N 4.2420 8.0034 119.2871 56.7679 38.8052 177.1821 49 T 3.8443 7.6524 115.8877 66.3986 68.6249 176.0869 50 L 4.2032 7.9196 119.2332 54.4219 41.9442 177.2691 51 G 3.8205 7.3924 105.4775 46.4643 0.0000 173.1988 52 L 4.7725 7.6894 119.0822 52.1021 44.2893 177.0001 53 D 4.6861 8.4877 123.0527 52.8824 41.7512 177.4919 54 I 3.6687 8.4073 123.5146 64.5960 37.0744 177.8888 55 E 3.9201 8.3238 119.7928 59.9576 29.3549 179.0651 56 T 3.9220 8.1077 108.6987 64.5917 69.0109 176.2384 57 A 4.0294 7.9443 123.4820 55.2158 18.3413 179.6510 58 T 3.9222 8.4050 114.6889 66.8827 68.4021 176.8531 59 L 3.9353 7.6907 120.8680 57.6765 41.5970 179.7969 60 V 3.6367 7.9112 118.4513 65.8872 31.4239 178.2502 61 G 3.6732 8.5128 105.9683 47.5513 0.0000 175.4025 62 K 2.0000 7.7175 121.7212 58.9814 32.0985 178.9796 63 Q 4.1203 7.5759 118.1498 58.7810 28.5591 178.9099 64 I 3.6705 7.8403 120.9681 64.4303 37.1637 178.5690 65 V 3.7296 8.0614 119.4101 66.1869 31.3793 177.8680 66 E 4.0170 8.5803 118.7385 59.1295 29.3831 179.1555 67 W 4.0741 8.3468 128.4954 60.3412 30.5286 178.1663 68 I 3.7607 7.8499 118.8297 64.5788 36.8275 178.1505 69 L 4.1086 8.3261 120.1618 57.5665 41.1492 179.5752 70 K 3.8634 7.8016 118.9396 59.5099 32.2344 178.5450 71 E 3.8318 7.4456 116.8205 58.3538 29.3473 177.3293 72 E 4.2554 7.4509 123.0772 56.4497 29.8282 176.0238 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 8.30 4.44 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 2 D 8.11 4.48 0.00 2.79 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.55 4.14 0.00 4.07 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 4 N 8.22 4.36 0.00 3.02 2.92 0.00 0.00 7.14 7.05 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 5 T 8.30 3.90 4.42 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 1.20 0.00 0.00 6 M 8.02 4.15 0.00 2.12 2.24 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 2.84 2.56 0.00 7 S 8.42 4.77 0.00 3.96 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 8 S 8.56 4.19 0.00 4.08 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 9 F 8.33 4.30 0.00 3.17 3.25 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 10 Q 8.28 3.98 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 11 V 7.94 3.75 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 0.97 0.00 0.00 1.02 0.00 0.00 12 D 8.17 4.40 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.92 4.05 0.00 2.98 2.85 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 0.00 0.00 0.00 14 F 8.27 4.37 0.00 3.32 3.12 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 15 L 8.25 3.89 0.00 1.76 1.67 0.96 0.71 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 16 W 8.30 3.88 0.00 3.50 3.36 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 0.00 17 H 8.28 4.11 0.00 3.48 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.27 3.43 1.76 0.00 0.00 0.62 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 -0.23 0.80 0.00 0.00 19 R 7.67 3.97 0.00 1.60 1.71 0.00 2.59 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 20 K 7.51 3.54 0.00 0.79 1.43 0.00 1.38 0.00 0.00 1.40 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.38 7.81 21 R 7.53 3.80 0.00 1.88 1.91 0.00 3.33 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 22 F 8.44 4.13 0.00 3.08 3.09 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 23 A 8.32 3.94 1.48 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 0.00 0.00 24 D 8.13 4.32 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.61 4.57 0.00 2.58 2.66 0.00 0.00 7.02 7.50 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 26 G 7.65 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 0.00 0.00 0.00 27 L 7.37 3.92 0.00 0.27 0.54 0.47 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.29 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.37 4.73 0.00 2.92 2.86 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 0.00 0.00 0.00 30 A 8.43 4.02 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 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.28 0.00 2.23 2.15 0.00 4.04 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 32 F 8.50 4.03 0.00 3.35 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.17 0.00 1.97 1.78 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.11 4.33 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 3.89 0.00 1.79 1.82 0.00 3.11 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 36 L 7.73 3.89 0.00 1.62 1.83 0.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.88 3.99 0.00 2.02 2.21 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 38 R 8.16 3.92 0.00 1.93 2.17 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 39 D 8.60 4.42 0.00 2.99 2.84 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 40 Q 8.19 3.14 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.06 1.50 0.00 41 K 7.72 3.88 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 42 S 8.03 4.09 0.00 3.94 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 43 L 8.25 4.18 0.00 1.45 1.61 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.99 4.09 0.00 1.97 1.81 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 45 G 7.91 3.56 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 0.00 46 R 8.19 3.94 0.00 2.00 1.87 0.00 3.19 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 47 G 8.14 3.25 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 0.00 48 N 8.00 4.24 0.00 2.76 2.93 0.00 0.00 7.24 7.18 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 49 T 7.65 3.84 4.26 0.00 0.00 0.00 0.00 0.00 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 50 L 7.92 4.20 0.00 1.19 1.51 0.55 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.39 3.82 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 0.00 0.00 0.00 52 L 7.69 4.77 0.00 1.47 1.69 0.93 0.96 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 53 D 8.49 4.69 0.00 2.90 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 54 I 8.41 3.67 1.86 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 1.61 0.63 0.81 0.00 0.00 55 E 8.32 3.92 0.00 2.05 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 0.00 2.41 2.42 0.00 56 T 8.11 3.92 4.26 0.00 0.00 0.00 0.00 0.00 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 57 A 7.94 4.03 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 58 T 8.41 3.92 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 59 L 7.69 3.94 0.00 1.79 1.68 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.91 3.64 2.07 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 1.06 0.00 0.00 0.95 0.00 0.00 61 G 8.51 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 0.00 0.00 0.00 62 K 7.72 2.00 0.00 1.14 1.65 0.00 1.60 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.21 0.74 7.81 63 Q 7.58 4.12 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 64 I 7.84 3.67 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 0.93 0.00 0.00 65 V 8.06 3.73 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 1.35 0.00 0.00 1.19 0.00 0.00 66 E 8.58 4.02 0.00 2.16 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 2.34 2.35 0.00 67 W 8.35 4.07 0.00 3.52 3.40 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 68 I 7.85 3.76 2.16 0.00 0.00 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 1.75 1.11 0.98 0.00 0.00 69 L 8.33 4.11 0.00 1.67 1.72 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.80 3.86 0.00 1.80 1.76 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.39 7.81 71 E 7.45 3.83 0.00 1.74 1.66 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 1.47 1.47 0.00 72 E 7.45 4.26 0.00 2.02 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 2.28 2.44 0.00