NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5013 8.3349 115.3070 57.7238 63.8436 173.3614 8 D 4.6490 8.4397 125.6908 53.0809 41.8855 174.4107 9 F 5.3349 8.2489 115.3639 55.7704 41.6746 173.0521 10 V 4.5459 8.9798 119.5192 61.1015 34.8489 174.1466 11 V 4.8615 8.8625 127.1795 61.2678 33.9898 174.2528 12 I 5.0113 8.9520 128.5507 59.4330 40.5345 174.1175 13 K 5.0748 9.1992 129.0806 54.3037 34.6043 174.9898 14 A 4.4963 8.8114 129.9745 52.0980 19.2765 177.5030 15 L 4.6781 8.8739 121.8684 54.6531 42.6328 175.7002 16 E 4.7365 7.6587 115.7548 55.0888 32.5401 174.4473 17 D 4.4668 8.5465 119.8808 55.1244 41.6344 177.2193 18 G 3.8747 8.3609 109.1832 45.3040 0.0000 173.9190 19 V 3.9522 7.5641 120.0237 62.8507 32.8353 174.5768 20 N 5.4275 9.1356 124.5557 51.3884 41.9432 173.3753 21 V 4.6626 8.8234 123.7135 61.1332 34.0868 174.1653 22 I 4.7332 8.8275 129.0317 59.3344 40.1938 174.7534 23 G 4.1036 8.7821 114.5694 45.0142 0.0000 172.3667 24 L 5.5562 8.5804 124.6212 52.6962 44.3233 176.2099 25 T 4.4832 8.7487 114.6247 61.7913 69.4219 174.1565 26 R 4.4397 7.8178 125.9995 55.9816 30.9023 176.1813 27 G 3.8186 8.7375 111.1350 43.8921 0.0000 172.6551 28 A 4.0906 8.4868 122.2071 54.5894 18.5954 177.9886 29 D 4.8346 7.7916 113.7772 53.2712 42.6330 176.1119 30 T 4.7553 8.3121 118.0967 61.9270 70.9387 173.3634 31 R 4.7450 8.9413 122.4506 53.9636 33.7563 174.4488 32 F 5.1479 8.7345 119.3257 58.1975 38.8671 175.0034 33 H 4.9692 9.0822 119.1550 56.3132 30.3809 174.2044 34 H 4.7746 7.6520 117.1480 55.1125 33.2463 171.9939 35 S 4.8659 8.3027 119.1603 56.4121 64.9025 172.2341 36 E 4.5450 9.0538 128.9479 54.4489 31.2671 174.5275 37 K 4.8665 8.5887 128.2435 55.5940 33.9041 175.4963 38 L 5.0083 8.8712 126.1260 53.1629 45.2399 176.2208 39 D 4.9977 9.5220 123.9811 52.4776 43.2014 175.8536 40 K 3.7968 8.9958 121.4863 58.7179 32.1917 177.0311 41 G 3.9917 9.0571 115.4445 45.1454 0.0000 173.3760 42 E 4.2907 8.1534 119.7541 56.2242 30.8906 175.9891 43 V 4.9488 8.2483 121.4200 61.0230 34.5799 174.2023 44 L 4.7302 9.1393 129.6922 53.2745 44.7584 174.8232 45 I 4.9473 8.5082 126.6506 59.7021 38.9685 174.6611 46 A 4.7158 8.9682 129.6514 50.0622 21.6093 175.4789 47 Q 4.8134 8.6196 121.1554 55.1576 30.3765 175.6746 48 F 4.6498 8.6233 120.3526 57.7046 39.9923 175.2942 49 T 4.7028 8.9501 111.2780 60.1315 71.9283 173.9812 50 E 3.9855 8.9305 121.2705 59.1829 29.6450 177.0953 51 H 4.6804 7.8853 114.1153 55.8402 30.1664 173.9840 52 T 5.2969 8.0962 116.9511 61.8981 71.2147 174.3815 53 S 5.0666 9.0332 120.0017 58.0629 64.9370 173.4304 54 A 5.2131 7.9414 121.4693 51.0922 22.6828 175.1384 55 I 4.9926 8.5002 120.0616 59.3807 41.0275 174.6658 56 K 4.5938 8.9496 127.9860 54.4617 34.8974 174.6973 57 V 4.8375 8.3649 126.1433 61.1249 34.0554 174.4765 58 R 4.5329 8.8172 126.8887 55.1086 32.8265 175.2929 59 G 4.1421 9.0324 109.5410 43.5669 0.0000 172.8041 60 K 4.2424 9.5572 121.0435 55.5404 33.1043 175.6491 61 A 5.1357 8.4904 127.6324 50.8415 23.2406 173.5925 62 Y 4.9919 9.2748 122.0444 56.2348 40.7252 174.5071 63 I 5.0131 8.5402 127.4664 59.5200 40.8119 174.4536 64 Q 5.0762 9.2263 125.8653 54.3400 32.2723 174.8240 65 T 4.6065 8.5166 112.5489 59.5211 72.3959 174.3427 66 R 3.8117 8.6130 120.5171 59.8194 29.8231 176.9912 67 H 4.5057 7.9170 113.5644 56.6236 29.7182 174.9220 68 G 3.7499 6.7224 106.3363 44.2345 0.0000 172.4521 69 V 4.8413 8.0641 114.7264 59.3388 35.2042 175.5337 70 I 4.4433 8.4946 117.3647 59.0796 40.3628 173.5922 71 E 5.0325 8.6483 127.9339 53.8048 31.3894 175.6295 72 S 4.4159 8.8012 122.2555 59.0204 63.0580 174.3698 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 7 S 8.33 4.50 0.00 3.92 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 8 D 8.44 4.65 0.00 2.89 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 9 F 8.25 5.33 0.00 3.00 2.98 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 0.00 0.00 0.00 10 V 8.98 4.55 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 1.04 0.00 0.00 0.85 0.00 0.00 11 V 8.86 4.86 2.18 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 1.05 0.00 0.00 1.17 0.00 0.00 12 I 8.95 5.01 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.42 0.92 0.00 0.00 13 K 9.20 5.07 0.00 1.86 1.77 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.37 7.81 14 A 8.81 4.50 1.33 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 0.00 0.00 0.00 15 L 8.87 4.68 0.00 1.65 1.72 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.74 0.00 1.92 1.89 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 2.19 2.34 0.00 17 D 8.55 4.47 0.00 2.59 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.36 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.56 3.95 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 1.03 0.00 0.00 0.99 0.00 0.00 20 N 9.14 5.43 0.00 2.62 2.58 0.00 0.00 6.26 8.04 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 21 V 8.82 4.66 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 0.98 0.00 0.00 0.90 0.00 0.00 22 I 8.83 4.73 1.34 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.43 -0.14 0.00 0.00 23 G 8.78 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 24 L 8.58 5.56 0.00 1.91 1.70 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.75 4.48 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 1.38 0.00 0.00 26 R 7.82 4.44 0.00 1.92 2.01 0.00 3.24 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.74 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 28 A 8.49 4.09 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 29 D 7.79 4.83 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.76 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 1.29 0.00 0.00 31 R 8.94 4.75 0.00 1.84 1.95 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 32 F 8.73 5.15 0.00 2.88 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 33 H 9.08 4.97 0.00 3.12 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.65 4.77 0.00 3.32 3.11 0.00 5.80 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 35 S 8.30 4.87 0.00 3.75 3.59 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 36 E 9.05 4.55 0.00 2.15 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 2.23 2.27 0.00 37 K 8.59 4.87 0.00 1.78 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 8.87 5.01 0.00 1.56 1.50 0.92 0.89 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 39 D 9.52 5.00 0.00 2.55 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 40 K 9.00 3.80 0.00 1.75 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 41 G 9.06 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.15 4.29 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 43 V 8.25 4.95 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 0.81 0.00 0.00 0.94 0.00 0.00 44 L 9.14 4.73 0.00 1.73 1.46 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.51 4.95 1.79 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 1.28 0.67 0.81 0.00 0.00 46 A 8.97 4.72 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 Q 8.62 4.81 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 48 F 8.62 4.65 0.00 3.04 2.99 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 0.00 0.00 0.00 49 T 8.95 4.70 4.30 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 1.27 0.00 0.00 50 E 8.93 3.99 0.00 1.94 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 2.02 2.27 0.00 51 H 7.89 4.68 0.00 3.24 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.10 5.30 4.34 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 1.30 0.00 0.00 53 S 9.03 5.07 0.00 3.82 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 54 A 7.94 5.21 1.31 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 0.00 0.00 0.00 55 I 8.50 4.99 1.82 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.81 0.00 0.00 56 K 8.95 4.59 0.00 1.70 1.37 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.33 7.81 57 V 8.36 4.84 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 0.86 0.00 0.00 0.89 0.00 0.00 58 R 8.82 4.53 0.00 1.74 1.77 0.00 3.14 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 59 G 9.03 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.56 4.24 0.00 1.86 1.71 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.49 5.14 1.24 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 0.00 0.00 0.00 62 Y 9.27 4.99 0.00 3.05 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 63 I 8.54 5.01 1.75 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.85 0.00 0.00 64 Q 9.23 5.08 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 65 T 8.52 4.61 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 1.16 0.00 0.00 66 R 8.61 3.81 0.00 1.63 1.91 0.00 3.20 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 67 H 7.92 4.51 0.00 3.16 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.72 3.75 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 0.00 0.00 0.00 69 V 8.06 4.84 1.68 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 0.69 0.00 0.00 0.91 0.00 0.00 70 I 8.49 4.44 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.95 0.87 0.00 0.00 71 E 8.65 5.03 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 2.27 2.52 0.00 72 S 8.80 4.42 0.00 3.91 3.78 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