NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3563 8.3001 120.3518 55.2438 34.5391 176.2754 2 A 4.0146 7.5173 126.2536 49.9757 17.3926 175.7928 3 G 3.8215 7.7989 109.7031 44.2636 0.0000 169.7984 4 V 3.7469 8.9983 118.3623 63.6329 29.5527 165.5647 5 K 3.7900 8.3051 130.3099 55.0125 33.5234 174.9572 6 A 4.5036 7.7056 124.4534 51.9728 21.0316 177.8794 7 Y 4.2571 7.4461 112.6990 60.7106 38.1473 177.0168 8 E 4.0972 8.1683 119.3149 58.9452 29.9254 178.2037 9 L 4.1104 7.5619 119.8208 58.0308 42.2876 178.4174 10 R 4.0833 7.7514 116.0967 57.9507 30.1011 176.5069 11 T 4.4943 7.5305 110.4919 61.5134 68.0373 173.1521 12 K 4.1422 7.6242 121.2198 55.8441 32.8736 176.2278 13 S 4.6306 8.9599 120.2979 57.6632 62.9082 173.9783 14 K 5.4357 8.2576 135.0000 58.0365 30.9906 176.9036 15 E 3.9982 7.6357 119.4066 59.1690 29.4219 179.0393 16 Q 3.9789 8.0440 117.6916 58.8969 28.8005 178.4700 17 L 3.9564 7.8764 120.6490 58.0490 42.3583 178.6727 18 A 3.9667 7.9440 120.5735 55.1406 18.3687 179.6033 19 S 4.0629 8.0738 111.6768 61.6150 62.4844 176.4502 20 Q 4.0998 8.1930 120.8585 58.8014 28.5328 178.4276 21 L 3.9847 8.2103 121.9020 58.0275 42.0162 179.3213 22 V 3.7498 7.8448 118.4193 64.0655 31.2502 177.4115 23 D 4.6109 7.6044 117.2762 55.4898 40.6582 178.4411 24 L 4.0620 8.0211 120.0340 57.2367 41.5288 179.0550 25 K 4.0657 8.0423 119.5656 59.1997 32.0843 179.0858 26 K 4.0552 7.8533 118.9155 59.1114 31.9631 179.1574 27 E 3.9754 7.8469 119.0192 59.3075 29.1966 178.9772 28 L 4.1989 7.5378 115.6920 56.2797 41.9566 178.1301 29 A 4.4359 7.3945 119.3335 53.0281 19.5263 178.3525 30 E 4.0530 8.0355 117.7184 58.1048 30.4270 176.7922 31 L 4.5818 7.6077 120.7154 53.6178 42.1002 175.9773 32 K 4.6313 7.4385 114.8088 55.4212 36.3454 176.0892 33 V 4.4995 8.1986 114.7301 59.4259 34.7025 175.3822 34 Q 4.3834 8.0784 120.2049 55.2525 30.3200 175.5752 35 K 3.9166 9.1271 120.6214 56.8645 30.7170 175.9569 36 L 4.7805 7.1351 117.1094 52.1364 42.5336 174.6057 37 S 4.7082 7.5096 123.1757 59.2226 65.6636 177.4231 38 R 4.3462 7.9999 117.8576 55.7365 31.4965 174.6904 39 P 5.0281 0.0000 0.0000 62.0908 30.9923 175.5295 40 S 4.1450 9.1413 109.2943 61.0573 62.2578 174.6348 41 L 4.3864 7.6033 119.2302 53.2518 43.6746 175.8351 42 P 4.2802 0.0000 0.0000 65.7655 30.9964 178.9590 43 K 3.9342 7.9985 118.1025 59.4604 32.1046 178.8150 44 I 3.6892 7.5758 119.7072 64.1328 36.9660 178.1809 45 K 3.9364 8.0505 120.5101 59.8407 32.0575 179.1131 46 T 3.8640 8.1103 116.2214 66.6403 68.4104 176.9091 47 V 3.7344 8.0997 120.0949 65.3111 31.0683 178.0554 48 R 3.8931 7.8968 118.5970 58.6916 30.0116 177.6387 49 K 4.4457 7.7646 115.7800 56.6437 32.6160 178.1161 50 S 4.2354 7.8858 114.7976 60.7597 62.5464 175.9228 51 I 3.6902 7.7479 122.5325 64.1405 36.9020 178.2530 52 A 3.9560 7.6376 120.4185 55.4576 17.8862 179.3704 53 C 4.1393 8.1501 117.0660 61.6616 31.5707 175.0116 54 V 4.1077 7.7213 111.8076 61.2965 31.9260 177.3913 55 L 4.1926 7.8510 119.5107 57.0549 41.4661 179.1570 56 T 3.8754 7.6449 110.0175 64.7282 68.7330 176.8251 57 V 3.5561 7.2404 120.9224 65.6991 31.5855 178.1685 58 I 3.7547 7.5738 119.2589 64.5295 36.9903 178.2415 59 N 4.4426 8.0498 116.8550 55.8571 38.2373 177.2751 60 E 3.9417 8.5522 121.7537 59.1786 29.6752 178.8176 61 Q 3.9869 8.1749 117.8223 59.4331 28.5161 178.5509 62 Q 3.9579 7.9736 119.5871 58.5590 28.4917 178.7237 63 R 3.8784 7.7680 118.9001 59.5807 30.3672 178.1989 64 E 4.1239 8.5870 118.4489 59.0865 29.4956 179.1065 65 A 4.0068 8.3243 121.3346 54.8665 18.2390 179.2135 66 V 3.8907 7.4966 114.5315 64.1094 31.6994 176.4093 67 R 4.5589 7.3046 117.3064 56.7320 30.0203 175.7314 68 Q 4.6563 7.8682 111.7855 55.0365 29.8230 175.7263 69 L 4.3576 7.6324 123.6521 54.9702 42.7011 176.1998 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 4.36 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 A 7.52 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 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 4 V 9.00 3.75 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 0.72 0.00 0.00 0.92 0.00 0.00 5 K 8.31 3.79 0.00 1.84 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.29 7.81 6 A 7.71 4.50 0.79 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 0.00 0.00 0.00 0.00 0.00 7 Y 7.45 4.26 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 8 E 8.17 4.10 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 9 L 7.56 4.11 0.00 1.66 1.65 0.90 0.86 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 10 R 7.75 4.08 0.00 1.93 1.97 0.00 3.30 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 11 T 7.53 4.49 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 1.31 0.00 0.00 12 K 7.62 4.14 0.00 1.94 1.79 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.37 7.81 13 S 8.96 4.63 0.00 3.86 3.77 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 14 K 8.26 5.44 0.00 2.14 2.09 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.19 7.81 15 E 7.64 4.00 0.00 2.08 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 0.00 2.40 2.46 0.00 16 Q 8.04 3.98 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 17 L 7.88 3.96 0.00 1.67 1.81 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.94 3.97 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 19 S 8.07 4.06 0.00 4.03 4.01 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 20 Q 8.19 4.10 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 21 L 8.21 3.98 0.00 1.95 1.78 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.84 3.75 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 0.90 0.00 0.00 0.93 0.00 0.00 23 D 7.60 4.61 0.00 2.84 2.74 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 24 L 8.02 4.06 0.00 1.83 1.70 0.91 0.61 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 25 K 8.04 4.07 0.00 2.02 1.93 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 26 K 7.85 4.06 0.00 1.97 1.84 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.68 7.81 27 E 7.85 3.98 0.00 2.17 1.99 0.00 0.00 0.00 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 2.50 0.00 28 L 7.54 4.20 0.00 1.63 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.39 4.44 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 30 E 8.04 4.05 0.00 2.19 2.14 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 2.32 2.45 0.00 31 L 7.61 4.58 0.00 1.77 1.64 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.44 4.63 0.00 1.80 1.64 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.53 7.81 33 V 8.20 4.50 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 0.77 0.00 0.00 0.93 0.00 0.00 34 Q 8.08 4.38 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.13 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 35 K 9.13 3.92 0.00 1.93 1.95 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.39 7.81 36 L 7.14 4.78 0.00 1.56 1.55 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.51 4.71 0.00 3.86 3.81 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 38 R 8.00 4.35 0.00 1.84 1.85 0.00 3.37 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 39 P 0.00 5.03 0.00 2.21 1.23 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 40 S 9.14 4.15 0.00 3.85 3.93 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 41 L 7.60 4.39 0.00 1.69 1.67 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.28 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 43 K 8.00 3.93 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 44 I 7.58 3.69 2.23 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 1.52 1.15 0.91 0.00 0.00 45 K 8.05 3.94 0.00 1.83 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 46 T 8.11 3.86 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 1.20 0.00 0.00 47 V 8.10 3.73 2.14 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 0.99 0.00 0.00 0.97 0.00 0.00 48 R 7.90 3.89 0.00 1.98 2.17 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 49 K 7.76 4.45 0.00 1.93 1.79 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 50 S 7.89 4.24 0.00 4.03 3.95 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 51 I 7.75 3.69 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 0.90 0.00 0.00 52 A 7.64 3.96 1.36 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 0.00 0.00 53 C 8.15 4.14 0.00 3.16 2.92 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 0.00 0.00 0.00 54 V 7.72 4.11 2.06 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 1.01 0.00 0.00 0.99 0.00 0.00 55 L 7.85 4.19 0.00 1.94 1.70 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.64 3.88 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 1.29 0.00 0.00 57 V 7.24 3.56 2.22 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 1.02 0.00 0.00 0.99 0.00 0.00 58 I 7.57 3.75 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 1.52 0.99 0.91 0.00 0.00 59 N 8.05 4.44 0.00 2.83 2.86 0.00 0.00 6.69 8.68 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 60 E 8.55 3.94 0.00 2.21 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 0.00 2.30 2.31 0.00 61 Q 8.17 3.99 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 62 Q 7.97 3.96 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 63 R 7.77 3.88 0.00 1.97 2.19 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 64 E 8.59 4.12 0.00 2.10 1.98 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 2.33 2.47 0.00 65 A 8.32 4.01 1.40 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 0.00 0.00 66 V 7.50 3.89 2.27 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 0.83 0.00 0.00 0.98 0.00 0.00 67 R 7.30 4.56 0.00 1.85 2.06 0.00 3.36 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 68 Q 7.87 4.66 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 69 L 7.63 4.36 0.00 1.57 1.49 0.92 0.85 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