NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3964 8.1585 120.3499 55.2119 33.6707 176.3039 2 A 3.9410 8.4890 127.0380 54.3377 18.4638 178.2750 3 D 4.3112 8.9301 117.5453 57.7447 41.7243 176.8997 4 T 4.1466 7.9169 115.8337 66.7479 68.5167 176.3227 5 L 4.0495 7.7065 120.9630 57.8421 42.0429 178.5313 6 E 3.9546 8.4712 119.6611 59.3119 29.0614 179.0992 7 R 3.9470 8.1467 118.1734 59.1808 30.1921 179.1955 8 V 3.8025 8.2101 118.1213 66.5007 31.5657 178.2928 9 T 3.9714 8.3005 115.7334 66.3590 68.1709 176.5672 10 K 3.9267 8.2953 121.7163 59.6550 32.1190 178.9705 11 I 3.7415 7.5250 119.1312 64.3515 37.0305 178.4676 12 I 3.7165 7.7532 120.5891 64.4009 37.0786 178.5753 13 V 3.6238 7.9645 119.0337 66.1085 31.1026 177.6812 14 D 4.3661 8.1788 117.6630 57.5466 40.7872 178.7177 15 R 4.1536 8.0210 116.9451 58.5204 29.6378 178.2255 16 L 4.4906 8.5299 117.4634 53.7807 41.8928 177.7698 17 G 3.7696 7.6892 106.0507 46.4507 0.0000 174.2505 18 V 4.2108 6.9018 109.3356 59.3554 33.3525 175.9531 19 D 4.5453 8.2528 120.9049 54.0749 41.5408 177.3375 20 E 3.8942 9.0170 123.1367 59.4098 29.7133 178.9900 21 A 3.9798 8.0465 119.9087 54.9641 18.4131 177.7107 22 D 4.5437 7.8550 113.7853 55.4764 41.7459 177.5617 23 V 3.9846 7.5147 121.8009 61.3351 30.1031 175.2481 24 K 4.4432 7.3744 122.6003 54.8623 34.2365 178.2826 25 L 3.9875 8.5220 121.0771 58.2831 41.5817 179.3938 26 E 4.1189 8.0105 114.6882 57.4103 30.0497 176.7283 27 A 4.1681 7.7398 124.5219 51.7552 18.9305 176.7615 28 S 4.6902 9.6969 119.6192 57.0753 64.6667 175.4038 29 F 4.2671 8.3977 123.0521 60.9043 39.0482 178.0414 30 K 4.6086 8.0955 117.5793 58.9976 32.2430 178.3761 31 E 4.1635 8.0816 116.8865 58.5350 29.6496 177.6856 32 D 4.7223 8.2843 117.2340 54.8614 42.3542 177.1468 33 L 4.4950 7.9361 115.5853 54.0198 42.0819 177.1379 34 G 3.8878 8.3302 105.7274 45.5699 0.0000 174.0931 35 A 4.2534 8.1437 123.7388 51.9123 19.1340 177.4857 36 D 5.2802 9.3578 122.2768 51.8006 43.2800 177.7004 37 S 4.1454 8.4727 114.2727 61.8524 62.6189 176.9341 38 L 3.9737 7.9557 121.1212 57.8286 41.4713 178.9394 39 D 4.3212 8.1528 118.3665 57.4194 40.7680 179.1756 40 V 3.3603 7.7704 118.5612 65.8298 31.5287 178.0611 41 V 3.5105 7.5915 117.8418 66.0443 31.3375 177.5332 42 E 3.8794 8.0962 118.8404 59.2406 29.4092 178.6913 43 L 3.8829 8.2133 119.3265 57.8753 41.6440 179.7640 44 V 3.5268 7.7540 118.0331 66.1072 31.2874 177.8776 45 M 4.2866 8.0527 119.8309 57.9064 31.8514 178.4114 46 E 3.9473 8.1659 119.3243 59.2089 29.9261 178.8690 47 L 4.1924 8.3894 119.5605 57.8116 41.3884 179.0269 48 E 4.0932 8.6633 119.0342 59.8140 29.2300 179.2363 49 D 4.4853 7.9912 118.4289 56.9750 40.8428 178.3571 50 E 3.7937 8.1501 119.0434 58.3936 29.5564 177.9910 51 F 4.6629 7.7721 114.0918 55.8534 40.2341 175.1688 52 D 4.4889 7.8512 117.3181 55.3941 38.7203 173.2791 53 M 4.9087 8.3428 113.3753 53.5066 34.7896 174.0051 54 E 4.8085 8.7555 120.6587 54.5663 31.4508 175.0383 55 I 4.4640 8.4755 126.8506 58.8014 38.9450 176.5983 56 S 4.3983 8.3122 119.7522 57.7824 65.1972 174.8424 57 D 4.3268 8.6224 122.6958 57.8370 40.3704 178.7266 58 E 4.0512 8.1708 117.3800 59.8047 29.8588 178.3096 59 D 4.4668 7.9469 118.2120 57.2346 40.9470 178.6073 60 A 3.8951 8.0718 121.3412 55.0674 18.0964 179.4396 61 E 4.0388 7.8452 115.6261 58.7744 29.5893 178.7319 62 K 4.3511 7.6388 116.7416 56.6922 33.6997 177.8804 63 I 4.1715 7.1773 121.2305 60.2340 35.7629 175.2909 64 A 4.2491 8.2918 127.5345 54.0970 19.5065 178.0128 65 T 4.5521 7.7675 105.1115 59.1037 72.8128 175.2582 66 V 3.6309 7.5263 121.3142 66.4473 31.3448 178.5715 67 G 3.6601 8.3739 105.4530 47.8883 0.0000 175.3369 68 D 4.3808 8.0278 120.8752 57.0758 40.8250 178.7587 69 A 4.0572 8.0121 120.8188 55.2590 18.3956 179.8288 70 V 3.4765 7.8788 116.7860 66.1536 31.6848 177.8193 71 N 4.2691 8.5011 116.5851 56.4739 37.8899 176.7094 72 Y 3.8649 7.9361 120.3141 60.7175 38.9994 177.8097 73 I 3.5722 7.6746 120.7040 64.8013 37.0097 178.4957 74 Q 4.0281 8.0572 116.9874 58.2023 28.5586 177.4373 75 N 4.6002 7.4519 115.0197 53.3122 38.8828 175.1161 76 Q 4.0906 7.5748 125.3438 55.8769 29.0844 175.3116 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 4.40 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 2 A 8.49 3.94 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 3 D 8.93 4.31 0.00 2.83 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 4 T 7.92 4.15 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 1.07 0.00 0.00 5 L 7.71 4.05 0.00 1.83 1.69 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.47 3.95 0.00 2.26 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 0.00 2.33 2.38 0.00 7 R 8.15 3.95 0.00 2.34 1.93 0.00 3.15 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 8 V 8.21 3.80 2.19 0.00 0.00 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 1.14 0.00 0.00 9 T 8.30 3.97 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 1.25 0.00 0.00 10 K 8.30 3.93 0.00 1.93 2.01 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 1.59 1.50 7.81 11 I 7.52 3.74 2.08 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 1.52 0.45 0.92 0.00 0.00 12 I 7.75 3.72 1.97 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 1.06 0.00 0.00 13 V 7.96 3.62 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 1.09 0.00 0.00 1.03 0.00 0.00 14 D 8.18 4.37 0.00 2.87 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 15 R 8.02 4.15 0.00 1.76 1.96 0.00 3.71 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 16 L 8.53 4.49 0.00 1.79 1.74 1.11 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.69 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 0.00 0.00 0.00 18 V 6.90 4.21 2.10 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 0.74 0.00 0.00 0.97 0.00 0.00 19 D 8.25 4.55 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.02 3.89 0.00 2.01 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 2.40 2.35 0.00 21 A 8.05 3.98 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 22 D 7.86 4.54 0.00 2.85 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 23 V 7.51 3.98 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 0.81 0.00 0.00 0.97 0.00 0.00 24 K 7.37 4.44 0.00 1.82 1.67 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.44 7.81 25 L 8.52 3.99 0.00 1.67 1.70 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.01 4.12 0.00 1.92 1.96 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 2.28 2.27 0.00 27 A 7.74 4.17 1.20 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 0.00 0.00 28 S 9.70 4.69 0.00 4.00 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 29 F 8.40 4.27 0.00 3.16 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 30 K 8.10 4.61 0.00 1.79 1.89 0.00 1.83 0.00 0.00 2.61 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.50 7.81 31 E 8.08 4.16 0.00 1.98 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 2.35 2.29 0.00 32 D 8.28 4.72 0.00 2.72 2.67 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 33 L 7.94 4.49 0.00 1.90 1.75 0.98 0.95 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 34 G 8.33 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 35 A 8.14 4.25 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 36 D 9.36 5.28 0.00 2.90 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 37 S 8.47 4.15 0.00 3.88 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 38 L 7.96 3.97 0.00 1.82 1.70 0.91 1.10 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 39 D 8.15 4.32 0.00 2.84 2.69 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 0.00 0.00 0.00 0.00 40 V 7.77 3.36 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 0.91 0.00 0.00 0.91 0.00 0.00 41 V 7.59 3.51 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 0.90 0.00 0.00 0.94 0.00 0.00 42 E 8.10 3.88 0.00 2.17 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 2.28 2.47 0.00 43 L 8.21 3.88 0.00 1.62 1.42 0.21 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.75 3.53 2.11 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 0.96 0.00 0.00 0.88 0.00 0.00 45 M 8.05 4.29 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.39 0.00 46 E 8.17 3.95 0.00 2.15 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 2.33 0.00 47 L 8.39 4.19 0.00 1.89 1.87 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.66 4.09 0.00 2.30 2.10 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 2.50 2.46 0.00 49 D 7.99 4.49 0.00 2.64 2.69 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 0.00 0.00 0.00 0.00 50 E 8.15 3.79 0.00 1.90 2.02 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 1.95 1.47 0.00 51 F 7.77 4.66 0.00 3.15 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 52 D 7.85 4.49 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.34 4.91 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 54 E 8.76 4.81 0.00 1.94 1.91 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 2.22 2.38 0.00 55 I 8.48 4.46 1.69 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.30 0.24 0.00 0.00 56 S 8.31 4.40 0.00 4.05 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 57 D 8.62 4.33 0.00 2.69 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 58 E 8.17 4.05 0.00 1.96 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 2.31 2.43 0.00 59 D 7.95 4.47 0.00 2.56 2.56 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 60 A 8.07 3.90 1.28 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 0.00 0.00 0.00 61 E 7.85 4.04 0.00 2.10 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 2.33 2.49 0.00 62 K 7.64 4.35 0.00 1.91 1.87 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 63 I 7.18 4.17 2.05 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 1.11 0.00 0.00 64 A 8.29 4.25 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 65 T 7.77 4.55 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 1.11 0.00 0.00 66 V 7.53 3.63 2.15 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 1.03 0.00 0.00 0.82 0.00 0.00 67 G 8.37 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.03 4.38 0.00 2.97 2.78 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 0.00 0.00 0.00 69 A 8.01 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.88 3.48 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 1.08 0.00 0.00 1.01 0.00 0.00 71 N 8.50 4.27 0.00 3.01 2.87 0.00 0.00 6.66 7.55 0.00 0.00 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 Y 7.94 3.86 0.00 3.17 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 73 I 7.67 3.57 1.71 0.00 0.00 0.47 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 0.18 0.00 0.00 74 Q 8.06 4.03 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 75 N 7.45 4.60 0.00 2.58 2.67 0.00 0.00 6.87 7.00 0.00 0.00 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 Q 7.57 4.09 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 1.71 2.12 0.00