NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2008 8.0393 120.3942 62.1682 33.6542 174.5580 3 P 4.8776 0.0000 0.0000 59.9416 30.3651 177.0854 4 M 4.4763 8.5230 110.5818 54.2845 33.5687 174.5434 5 D 4.7509 8.3486 119.7991 52.8702 42.2069 177.2188 6 C 4.8734 8.6196 124.0318 58.2433 40.7060 176.0738 7 S 3.9942 8.0495 115.7440 60.8936 62.6729 175.3248 8 R 3.7762 7.3583 118.7077 57.9968 29.8410 175.5912 9 Y 4.8200 7.1989 114.6166 55.3827 40.5172 173.7189 10 P 4.6661 0.0000 0.0000 63.0312 32.6526 174.7809 11 N 5.6444 8.6106 118.0758 51.7864 40.8730 173.4585 12 T 4.7609 8.8213 115.3314 62.4303 73.4052 172.9515 13 T 4.8575 8.4067 121.4742 62.4386 70.1337 175.4423 14 S 4.4579 8.8673 121.4866 57.4650 64.4040 172.8137 15 E 4.0825 8.7864 119.8776 58.9734 29.4797 177.6792 16 E 4.3837 8.2004 114.1927 56.0839 29.7646 176.6871 17 G 3.8879 8.2553 106.1245 45.4662 0.0000 173.8542 18 K 4.1135 7.7667 120.2012 56.2165 33.0884 176.0952 19 V 4.3319 8.4069 126.0476 62.3877 32.5581 174.7831 20 M 4.7255 9.4397 128.6563 53.5851 34.5699 174.9302 21 I 4.5130 8.4117 124.9511 60.5449 38.5845 175.1445 22 L 4.6185 8.7496 127.7128 53.4710 42.6401 175.5403 23 C 4.9731 8.5944 121.3230 54.4961 43.0955 173.7331 24 N 4.6959 8.5495 120.0091 53.1986 37.5530 174.5740 25 K 4.5030 8.3067 116.5184 56.2614 32.8297 176.7682 26 A 4.2444 7.8890 120.8714 51.5962 19.3778 178.3914 27 L 4.5010 8.2037 122.9119 53.7207 41.6528 175.1924 28 N 5.1437 8.4144 123.2407 49.6598 39.3172 171.4546 29 P 5.0032 0.0000 0.0000 63.1109 32.5346 176.5934 30 V 4.9835 8.9430 114.5101 58.7009 36.5150 173.6239 31 C 5.0463 8.9635 123.6541 54.8436 46.1906 173.6484 32 G 4.2786 9.0936 114.3419 46.0538 0.0000 174.2112 33 T 4.0867 8.8439 116.4109 63.9622 67.4041 174.6309 34 D 4.5622 8.1620 118.8670 53.4789 39.8899 177.2174 35 G 3.9159 8.1657 108.0461 45.8865 0.0000 173.7466 36 V 4.1610 7.8589 113.5257 60.0937 33.6975 175.2316 37 T 4.7070 8.1619 121.2398 63.0144 69.4285 173.6482 38 Y 4.4939 8.6632 124.2383 55.9953 40.3578 176.6236 39 D 4.3614 8.9249 123.5753 57.6886 41.4795 176.1594 40 N 5.8866 7.5614 115.4105 51.4987 41.1755 174.7202 41 E 3.9044 8.6625 120.3141 59.5171 29.5233 178.9901 42 C 3.3580 7.7871 118.1013 59.2646 43.2758 175.5926 43 V 3.4140 7.5095 119.4478 65.6502 31.1923 177.5874 44 L 3.3653 7.6627 119.7117 58.0967 41.8738 178.1622 45 C 4.1545 8.1944 116.3328 60.1345 39.3692 176.1235 46 A 3.8766 8.1810 122.4587 55.2326 17.8553 179.0170 47 H 4.0273 8.4531 117.0692 59.6464 29.9430 177.2337 48 N 4.5547 8.0965 119.4423 55.7060 38.1151 177.2419 49 L 3.9367 7.6258 120.8299 58.0716 42.2685 178.3085 50 E 4.0680 8.3701 118.7726 58.6487 29.7072 177.8524 51 Q 4.3714 8.3240 116.4982 55.2345 29.4534 176.8764 52 G 3.8378 8.0071 107.6898 45.7163 0.0000 173.6655 53 T 4.3626 7.3241 110.6374 60.7713 70.5957 173.9585 54 S 5.0611 7.9893 113.6675 57.4440 62.5307 174.2001 55 V 3.6509 8.2048 119.2530 62.8915 32.2391 175.0278 56 G 4.0577 8.3731 113.5775 44.5625 0.0000 171.5895 57 K 4.6116 8.2984 121.2606 55.1679 32.1763 176.2525 58 K 4.3106 9.3089 130.9027 59.4910 32.6709 176.6077 59 H 4.8208 7.6895 112.4126 54.6367 30.7723 174.6967 60 D 4.3348 9.1563 120.3562 57.1757 41.1257 177.2387 61 G 4.0442 7.9501 107.7747 44.3170 0.0000 172.1136 62 E 4.2496 8.4926 116.9783 55.5398 30.7002 177.2542 63 C 4.4597 8.5284 117.8022 57.6793 41.2225 173.7599 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 2 V 8.04 4.20 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 1.01 0.00 0.00 0.93 0.00 0.00 3 P 0.00 4.88 0.00 2.30 1.28 0.00 3.86 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 1.98 2.01 0.00 4 M 8.52 4.48 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 5 D 8.35 4.75 0.00 2.72 2.53 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 6 C 8.62 4.87 0.00 3.08 3.20 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 7 S 8.05 3.99 0.00 4.14 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 8 R 7.36 3.78 0.00 1.55 1.30 0.00 2.99 0.00 0.00 2.74 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.35 0.00 9 Y 7.20 4.82 0.00 3.02 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 10 P 0.00 4.67 0.00 2.14 2.20 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 11 N 8.61 5.64 0.00 2.68 2.80 0.00 0.00 5.86 7.71 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 12 T 8.82 4.76 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 1.22 0.00 0.00 13 T 8.41 4.86 4.24 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 1.21 0.00 0.00 14 S 8.87 4.46 0.00 3.84 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 4.08 0.00 1.95 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 2.29 2.35 0.00 16 E 8.20 4.38 0.00 2.11 2.01 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 2.22 2.29 0.00 17 G 8.26 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 18 K 7.77 4.11 0.00 1.73 1.76 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.44 7.81 19 V 8.41 4.33 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 0.78 0.00 0.00 0.93 0.00 0.00 20 M 9.44 4.73 0.00 1.93 1.93 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 2.50 2.47 0.00 21 I 8.41 4.51 1.85 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 1.36 0.40 0.89 0.00 0.00 22 L 8.75 4.62 0.00 1.54 1.62 0.94 1.02 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 23 C 8.59 4.97 0.00 2.85 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 24 N 8.55 4.70 0.00 2.86 2.88 0.00 0.00 6.01 7.13 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 25 K 8.31 4.50 0.00 1.75 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 26 A 7.89 4.24 1.25 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 27 L 8.20 4.50 0.00 1.61 1.62 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.41 5.14 0.00 2.63 2.70 0.00 0.00 6.59 9.28 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 29 P 0.00 5.00 0.00 2.09 2.07 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 30 V 8.94 4.98 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 1.13 0.00 0.00 0.99 0.00 0.00 31 C 8.96 5.05 0.00 2.99 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.09 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 0.00 0.00 0.00 0.00 33 T 8.84 4.09 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 1.30 0.00 0.00 34 D 8.16 4.56 0.00 2.87 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 35 G 8.17 3.92 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 0.00 0.00 0.00 36 V 7.86 4.16 1.50 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 0.73 0.00 0.00 -0.01 0.00 0.00 37 T 8.16 4.71 4.15 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 0.00 0.00 0.00 1.19 0.00 0.00 38 Y 8.66 4.49 0.00 2.94 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 39 D 8.92 4.36 0.00 2.72 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 40 N 7.56 5.89 0.00 2.90 2.89 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 41 E 8.66 3.90 0.00 2.10 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 0.00 2.46 2.40 0.00 42 C 7.79 3.36 0.00 1.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.51 3.41 2.25 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 1.15 0.00 0.00 0.90 0.00 0.00 44 L 7.66 3.37 0.00 1.49 1.61 0.74 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.19 4.15 0.00 3.09 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 46 A 8.18 3.88 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 47 H 8.45 4.03 0.00 3.32 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.10 4.55 0.00 2.89 2.89 0.00 0.00 6.19 6.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.63 3.94 0.00 1.81 1.77 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.37 4.07 0.00 2.18 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 0.00 2.32 2.38 0.00 51 Q 8.32 4.37 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.73 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 52 G 8.01 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 53 T 7.32 4.36 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 1.21 0.00 0.00 54 S 7.99 5.06 0.00 3.77 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 55 V 8.20 3.65 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 0.87 0.00 0.00 1.05 0.00 0.00 56 G 8.37 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 57 K 8.30 4.61 0.00 1.76 1.74 0.00 1.91 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.42 7.81 58 K 9.31 4.31 0.00 1.76 1.83 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.41 7.81 59 H 7.69 4.82 0.00 3.25 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.16 4.33 0.00 2.73 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 61 G 7.95 4.04 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 0.00 0.00 0.00 62 E 8.49 4.25 0.00 2.10 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 2.29 2.35 0.00 63 C 8.53 4.46 0.00 2.99 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