NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0922 7.9133 120.3122 60.7430 33.0048 175.4043 6 P 3.9792 0.0000 0.0000 65.2774 31.1484 176.9368 7 I 3.5673 7.9885 117.0995 63.9712 38.3052 177.3443 8 K 3.9859 7.9843 120.1041 59.4168 31.8971 178.8246 9 V 3.5916 7.4842 117.5522 65.9310 31.7658 177.4520 10 L 4.0927 8.1333 120.2214 58.4569 42.0225 178.6280 11 H 4.3090 8.5154 116.5662 58.9311 28.4268 177.4884 12 E 4.1469 8.0983 118.6120 58.4454 29.5373 178.2380 13 A 4.3632 7.9477 119.9897 51.7282 18.9755 176.9962 14 E 4.0999 7.4009 117.2901 58.2079 29.9032 177.8021 15 G 3.8863 9.6701 112.4878 45.3758 0.0000 172.3366 16 H 5.0551 8.0743 116.3349 53.4492 32.7250 173.2694 17 I 4.3591 8.2900 120.8606 61.5963 37.6713 176.0823 18 V 4.7477 9.2905 119.2698 59.9234 36.5195 174.3793 19 T 5.0590 8.8323 118.4352 61.9712 71.8082 173.0492 20 C 5.0559 9.3083 126.0264 57.6556 34.5929 172.0053 21 E 4.8723 8.5376 128.9768 54.6831 30.8604 175.6841 22 T 4.6410 8.6094 117.8592 60.8573 70.0474 175.7540 23 N 4.3888 9.3525 120.1431 55.9125 38.6540 176.9638 24 T 4.4002 7.9995 106.6260 61.2705 68.9848 175.3249 25 G 3.8991 8.1562 108.8560 45.9227 0.0000 173.9933 26 E 4.4123 7.9900 119.3404 55.6592 31.4649 175.8007 27 V 4.5820 8.3469 121.9497 61.3959 34.6822 173.7465 28 Y 4.9136 9.1927 126.5152 56.2581 40.2861 174.7141 29 R 4.9851 9.4447 125.5638 54.0277 33.4493 175.1522 30 G 4.0630 8.0718 111.5872 46.0879 0.0000 171.1231 31 K 4.6806 7.7108 121.7893 56.1919 33.3611 176.1801 32 L 4.4654 9.2792 130.7271 55.3287 42.5061 176.9473 33 I 4.0634 9.0762 128.2282 63.4188 38.1777 176.1668 34 E 4.9550 7.9797 120.9895 54.8493 33.1948 173.3684 35 A 5.0699 9.9937 130.6684 50.3337 21.1692 176.3819 36 E 4.4630 9.0327 123.6421 55.4556 30.6561 177.6214 37 D 4.4596 8.5742 119.1365 56.8343 40.6798 177.2507 38 N 4.6067 8.1414 115.3448 52.6592 37.7980 175.6451 39 M 3.2029 8.0513 117.2763 56.1850 30.0037 176.2589 40 N 4.6087 8.2891 117.0639 53.5049 39.8850 173.9618 41 C 5.3458 9.0811 120.6280 58.0610 32.1713 172.8855 42 Q 5.1097 9.2428 122.6746 54.8764 30.2696 174.6274 43 M 5.4296 9.0970 123.9199 53.4403 35.9134 174.9335 44 S 5.0371 9.1243 116.1300 56.2866 66.8370 173.0381 45 N 4.3250 8.7016 117.1173 54.3149 36.3833 173.5546 46 I 4.6898 7.9723 112.8642 59.9525 41.4849 176.3877 47 T 5.1345 9.0272 119.8775 61.6667 71.1501 173.7372 48 V 4.3842 8.8018 126.1097 59.8696 34.5743 174.7772 49 T 4.6393 8.1790 120.6153 61.8823 70.8522 174.0033 50 Y 4.5393 8.4931 125.1423 56.9406 38.9134 177.2686 51 R 3.9338 8.7021 119.9496 59.4172 30.0930 177.6869 52 D 4.5964 8.1436 114.5586 53.2176 39.6729 177.1722 53 G 3.9547 8.1742 109.3970 45.1643 0.0000 174.2308 54 R 4.0860 8.2876 121.1938 56.5683 31.2018 175.2987 55 V 4.9060 8.4131 124.8835 61.2557 34.0011 174.1815 56 A 4.8625 8.9120 127.5975 50.7443 23.3507 174.4736 57 Q 5.1602 8.6412 117.2744 54.2211 31.6523 175.5689 58 L 4.7967 8.7390 122.0569 52.9768 45.8608 177.0949 59 E 4.0221 9.0589 124.1941 59.2600 30.6434 176.4671 60 Q 5.1827 7.8229 115.1706 54.7120 33.0725 174.6040 61 V 4.5800 8.9100 114.6889 59.9417 36.8070 173.7987 62 Y 5.0901 8.6140 123.9058 56.2404 40.7642 174.7190 63 I 4.1228 8.2772 129.2716 59.2309 39.3000 176.0320 64 R 4.1457 8.2098 126.8905 55.4124 31.1161 177.7231 65 G 3.8363 9.4448 111.6553 48.1575 0.0000 175.1422 66 C 4.3290 7.9776 111.8636 59.2575 29.9821 173.9278 67 K 4.3573 8.1929 120.0023 56.3323 32.5964 175.6238 68 I 4.4973 7.2882 120.7197 59.9539 38.5663 175.5428 69 R 4.3713 9.0696 126.6803 57.8817 30.4649 176.0965 70 F 4.9659 7.2534 111.0851 56.0367 40.9796 172.3348 71 L 5.2789 8.7611 119.0737 53.1234 44.8374 176.0096 72 I 4.4805 8.8840 124.0908 59.9607 38.8886 175.1829 73 L 5.0152 8.3694 126.6021 51.9004 44.5383 174.7733 74 P 4.2540 0.0000 0.0000 61.8797 31.6278 176.6488 75 D 4.3321 8.7234 122.0798 54.9030 41.4702 176.6388 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 5 V 7.91 4.09 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 0.76 0.00 0.00 0.93 0.00 0.00 6 P 0.00 3.98 0.00 2.25 2.17 0.00 3.61 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 2.12 2.19 0.00 7 I 7.99 3.57 1.85 0.00 0.00 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 1.51 1.26 0.93 0.00 0.00 8 K 7.98 3.99 0.00 1.89 2.02 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.70 1.53 7.81 9 V 7.48 3.59 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 0.85 0.00 0.00 1.00 0.00 0.00 10 L 8.13 4.09 0.00 1.77 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.52 4.31 0.00 3.39 3.32 0.00 5.67 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 12 E 8.10 4.15 0.00 2.14 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 2.37 2.64 0.00 13 A 7.95 4.36 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 14 E 7.40 4.10 0.00 2.17 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 2.39 2.38 0.00 15 G 9.67 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 16 H 8.07 5.06 0.00 3.29 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.29 4.36 1.90 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 1.37 0.76 0.90 0.00 0.00 18 V 9.29 4.75 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 0.77 0.00 0.00 0.95 0.00 0.00 19 T 8.83 5.06 4.31 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 0.00 0.00 0.00 1.22 0.00 0.00 20 C 9.31 5.06 0.00 2.89 2.90 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 21 E 8.54 4.87 0.00 1.40 1.12 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 1.89 2.15 0.00 22 T 8.61 4.64 4.39 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 1.32 0.00 0.00 23 N 9.35 4.39 0.00 2.73 2.91 0.00 0.00 7.04 6.77 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 24 T 8.00 4.40 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 1.22 0.00 0.00 25 G 8.16 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 26 E 7.99 4.41 0.00 2.09 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 2.47 2.37 0.00 27 V 8.35 4.58 1.93 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 0.94 0.00 0.00 0.84 0.00 0.00 28 Y 9.19 4.91 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.44 4.99 0.00 1.78 1.71 0.00 3.20 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 30 G 8.07 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 31 K 7.71 4.68 0.00 1.82 1.71 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.39 7.81 32 L 9.28 4.47 0.00 1.79 1.56 0.99 0.86 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 33 I 9.08 4.06 1.99 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 1.13 0.97 0.92 0.00 0.00 34 E 7.98 4.96 0.00 2.02 1.77 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 2.33 2.35 0.00 35 A 9.99 5.07 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.03 4.46 0.00 2.20 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 2.39 2.37 0.00 37 D 8.57 4.46 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 38 N 8.14 4.61 0.00 2.93 3.04 0.00 0.00 6.37 7.66 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 39 M 8.05 3.20 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 40 N 8.29 4.61 0.00 2.81 2.38 0.00 0.00 6.81 7.52 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 41 C 9.08 5.35 0.00 2.70 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 42 Q 9.24 5.11 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 43 M 9.10 5.43 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 44 S 9.12 5.04 0.00 3.81 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 45 N 8.70 4.33 0.00 2.80 2.86 0.00 0.00 6.89 7.88 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 46 I 7.97 4.69 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.05 1.01 0.00 0.00 47 T 9.03 5.13 4.20 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 1.20 0.00 0.00 48 V 8.80 4.38 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 0.44 0.00 0.00 -0.70 0.00 0.00 49 T 8.18 4.64 4.07 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 1.14 0.00 0.00 50 Y 8.49 4.54 0.00 3.21 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 51 R 8.70 3.93 0.00 1.84 2.03 0.00 3.22 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 52 D 8.14 4.60 0.00 2.77 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 53 G 8.17 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 0.00 0.00 0.00 54 R 8.29 4.09 0.00 1.97 2.02 0.00 3.07 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 55 V 8.41 4.91 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 0.81 0.00 0.00 0.96 0.00 0.00 56 A 8.91 4.86 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.64 5.16 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 58 L 8.74 4.80 0.00 1.64 1.56 1.12 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.06 4.02 0.00 2.11 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 2.39 2.42 0.00 60 Q 7.82 5.18 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 61 V 8.91 4.58 1.90 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 0.79 0.00 0.00 0.85 0.00 0.00 62 Y 8.61 5.09 0.00 2.79 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 63 I 8.28 4.12 1.62 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.51 0.69 0.00 0.00 64 R 8.21 4.15 0.00 1.72 1.76 0.00 3.09 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.27 0.00 65 G 9.44 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 0.00 0.00 0.00 66 C 7.98 4.33 0.00 3.07 3.04 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 0.00 0.00 0.00 67 K 8.19 4.36 0.00 1.83 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.46 7.81 68 I 7.29 4.50 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.63 0.93 0.00 0.00 69 R 9.07 4.37 0.00 1.88 1.94 0.00 3.38 0.00 0.00 3.32 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.51 0.00 70 F 7.25 4.97 0.00 3.11 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 71 L 8.76 5.28 0.00 1.56 1.62 0.92 0.79 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 72 I 8.88 4.48 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 0.95 0.00 0.00 73 L 8.37 5.02 0.00 1.52 1.58 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.25 0.00 1.93 1.93 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 75 D 8.72 4.33 0.00 2.74 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