NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7800 8.4249 118.2224 52.8372 38.9531 173.7124 2 E 4.3624 8.6189 120.4394 57.3933 31.8371 177.2486 3 C 4.0204 8.3299 116.6405 60.3977 35.3354 176.1906 4 V 3.4255 7.8370 119.7091 65.0235 30.5849 178.0709 5 S 4.1275 7.8229 112.7250 60.4271 62.3102 175.2816 6 K 4.2804 7.8657 118.5126 55.5611 32.5765 176.5155 7 G 3.5810 7.6552 106.7075 46.1630 0.0000 173.7917 8 F 4.5315 7.9532 118.1695 56.2214 40.9464 175.5725 9 G 4.2125 8.4556 106.3673 44.5964 0.0000 172.1091 10 C 5.0789 8.9014 123.5298 57.0706 39.3427 173.0608 11 L 5.0153 8.7799 122.3674 52.1780 46.7445 173.9411 12 P 4.4416 0.0000 0.0000 62.6514 31.8569 177.5370 13 Q 4.2638 8.7911 120.6682 59.0578 28.5503 179.2839 14 S 4.2167 7.8981 113.1999 61.3934 62.6727 175.1375 15 D 4.4862 7.9356 119.0179 56.0072 41.3262 176.6704 16 C 4.5529 8.1431 120.2407 54.5468 45.6108 171.3606 17 P 4.5339 0.0000 0.0000 62.4424 31.4784 177.2107 18 Q 4.0046 8.7069 118.6363 59.0648 28.4761 177.6963 19 E 4.0471 8.1634 118.4401 58.4829 29.7861 177.1671 20 A 4.1568 8.1131 121.4629 53.8362 19.0660 176.5362 21 R 4.1464 8.0353 114.2819 57.0558 29.9724 176.3593 22 L 4.4075 8.2608 123.4432 53.8942 43.1930 176.8044 23 S 4.6877 7.7382 112.2090 58.7782 63.2061 176.0816 24 Y 3.9207 7.9768 118.9632 58.8509 37.8122 176.4479 25 G 3.9762 7.2890 104.9412 44.9657 0.0000 172.4745 26 G 4.5654 7.2189 113.5290 46.0844 0.0000 171.1760 27 C 5.1544 8.1639 115.9025 54.0753 44.0066 174.2391 28 S 4.2188 8.8527 116.3770 61.6795 62.1616 174.6434 29 T 4.4987 7.6817 111.9480 62.1063 69.5789 173.2168 30 V 4.6005 7.5304 118.4481 59.9599 35.5810 172.6312 31 C 4.9530 8.7026 122.2077 55.9570 43.5047 172.4610 32 C 5.2178 8.9977 126.1714 54.7382 47.4379 172.6177 33 D 5.1530 8.3313 125.2356 53.4833 40.3020 176.7967 34 L 4.1077 8.7644 128.4348 57.8078 41.4271 179.3212 35 S 4.1536 8.2656 112.4518 60.9379 62.3242 175.8141 36 K 4.2417 8.1617 119.9572 58.7849 32.2741 178.2468 37 L 4.2513 7.9118 118.5885 54.2306 42.3712 176.5328 38 T 4.1876 7.3666 109.9084 61.7637 71.1225 173.3790 39 G 4.1366 8.0974 116.6760 45.1292 0.0000 175.6526 40 C 4.0984 7.9901 123.2111 59.4345 45.1582 176.3118 41 K 4.4249 7.6659 117.8878 58.9639 31.9583 179.3580 42 G 3.6105 8.0666 105.9971 48.5960 0.0000 174.1713 43 K 4.2210 8.1639 117.0905 56.1662 31.9783 176.8534 44 G 3.8252 8.3106 106.9084 47.1185 0.0000 173.6259 45 G 4.2795 7.9829 104.7344 44.1649 0.0000 172.3517 46 E 5.0441 9.0474 120.4489 54.2609 33.8625 173.6798 47 C 4.7150 8.8591 122.1932 57.3967 42.0498 172.8600 48 N 5.3946 9.0525 121.3467 50.4018 42.1276 172.7676 49 P 4.6912 0.0000 0.0000 62.3905 32.2092 177.5222 50 L 3.9932 8.4028 119.6109 57.7986 41.6835 178.5032 51 D 4.4540 8.0098 117.0669 56.0344 41.1451 176.1850 52 R 4.2780 7.8080 120.4145 55.0922 30.7013 175.6685 53 Q 4.1426 8.6866 124.9334 56.2147 29.0039 175.5274 54 C 4.7096 8.2307 121.6721 55.9793 45.5087 172.3984 55 K 4.4772 8.1952 122.3553 55.0047 32.7057 174.5329 56 E 5.2772 8.4520 125.6245 53.7465 31.8671 175.8416 57 L 4.4609 8.2244 122.1089 53.8441 42.2534 177.8777 58 Q 4.0604 8.5727 120.0117 59.0979 28.4207 178.9643 59 A 4.2329 7.8470 120.4691 54.7404 18.9070 178.9190 60 E 4.1043 8.0527 116.7543 59.2832 29.8187 179.0582 61 S 4.1930 8.5911 115.5113 61.4900 62.5684 176.4191 62 A 3.9866 7.2288 120.0107 55.2293 18.1011 178.6772 63 S 4.2135 7.7661 112.4364 62.3815 63.3017 175.6678 64 C 4.2918 8.1801 115.7404 60.9697 36.3822 172.4010 65 G 3.6288 7.7343 103.4506 43.7178 0.0000 172.6965 66 K 3.9502 8.3740 118.4969 57.7969 32.3487 177.7310 67 G 3.9767 9.2819 110.8157 45.5254 0.0000 172.5694 68 Q 4.7348 7.6102 116.8753 54.0261 33.4435 174.8438 69 K 4.4665 8.7972 119.3745 54.7890 36.6050 175.0430 70 C 4.6922 8.8694 125.8505 56.6803 42.4156 172.8091 71 C 5.0285 8.7034 127.7268 55.4489 45.0797 172.5799 72 V 4.5208 7.1628 122.3377 59.6402 33.9460 174.6595 73 W 5.0944 7.9556 122.5348 53.9715 32.4472 175.6045 74 L 4.3787 8.4867 118.8886 56.9579 39.8921 176.7356 75 H 4.6298 8.2602 121.9244 57.1213 29.0873 174.3722 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 N 8.42 4.78 0.00 2.87 2.92 0.00 0.00 5.94 6.78 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 2 E 8.62 4.36 0.00 2.41 2.17 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 2.65 2.42 0.00 3 C 8.33 4.02 0.00 3.00 3.22 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 0.00 0.00 0.00 0.00 4 V 7.84 3.43 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 5 S 7.82 4.13 0.00 4.08 4.02 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 0.00 0.00 0.00 6 K 7.87 4.28 0.00 1.69 1.55 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.39 7.81 7 G 7.66 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 4.53 0.00 2.98 2.94 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 9 G 8.46 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.90 5.08 0.00 2.89 3.06 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 11 L 8.78 5.02 0.00 1.58 1.50 1.00 0.83 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 12 P 0.00 4.44 0.00 2.22 2.18 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 13 Q 8.79 4.26 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 14 S 7.90 4.22 0.00 3.86 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 15 D 7.94 4.49 0.00 2.72 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 16 C 8.14 4.55 0.00 2.93 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 17 P 0.00 4.53 0.00 2.26 2.17 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 18 Q 8.71 4.00 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.14 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 19 E 8.16 4.05 0.00 1.95 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 2.30 2.31 0.00 20 A 8.11 4.16 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 21 R 8.04 4.15 0.00 1.79 1.93 0.00 3.19 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 22 L 8.26 4.41 0.00 1.56 1.40 -0.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.74 4.69 0.00 3.64 3.67 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 24 Y 7.98 3.92 0.00 2.89 3.06 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 25 G 7.29 3.98 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 0.00 0.00 0.00 26 G 7.22 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 5.15 0.00 2.94 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.22 0.00 3.98 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 4.50 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 1.26 0.00 0.00 30 V 7.53 4.60 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 0.80 0.00 0.00 0.92 0.00 0.00 31 C 8.70 4.95 0.00 3.04 2.94 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 32 C 9.00 5.22 0.00 3.05 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 33 D 8.33 5.15 0.00 2.79 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 34 L 8.76 4.11 0.00 1.69 1.88 0.89 0.86 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 35 S 8.27 4.15 0.00 3.87 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 36 K 8.16 4.24 0.00 1.94 1.88 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.79 7.81 37 L 7.91 4.25 0.00 1.78 1.68 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.37 4.19 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 39 G 8.10 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 40 C 7.99 4.10 0.00 3.04 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 41 K 7.67 4.42 0.00 1.84 1.83 0.00 2.01 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.39 7.81 42 G 8.07 3.61 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 0.00 0.00 0.00 43 K 8.16 4.22 0.00 1.74 1.82 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.51 7.81 44 G 8.31 3.83 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 0.00 0.00 0.00 45 G 7.98 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 46 E 9.05 5.04 0.00 2.10 1.84 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 2.29 2.39 0.00 47 C 8.86 4.72 0.00 2.91 3.03 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 0.00 0.00 0.00 48 N 9.05 5.39 0.00 2.67 2.69 0.00 0.00 6.56 8.70 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 49 P 0.00 4.69 0.00 2.23 2.19 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 50 L 8.40 3.99 0.00 1.66 1.78 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.01 4.45 0.00 2.68 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 52 R 7.81 4.28 0.00 1.80 2.02 0.00 3.45 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.78 0.00 53 Q 8.69 4.14 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 54 C 8.23 4.71 0.00 2.85 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 55 K 8.20 4.48 0.00 1.81 1.56 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.37 7.81 56 E 8.45 5.28 0.00 1.98 1.80 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 2.13 2.04 0.00 57 L 8.22 4.46 0.00 1.68 1.58 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.57 4.06 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 59 A 7.85 4.23 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 60 E 8.05 4.10 0.00 2.07 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 2.35 2.28 0.00 61 S 8.59 4.19 0.00 3.79 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 62 A 7.23 3.99 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 63 S 7.77 4.21 0.00 3.96 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 64 C 8.18 4.29 0.00 2.95 3.31 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 65 G 7.73 3.63 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 0.00 0.00 0.00 66 K 8.37 3.95 0.00 1.76 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 G 9.28 3.98 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 0.00 0.00 0.00 68 Q 7.61 4.73 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 69 K 8.80 4.47 0.00 1.62 1.60 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.34 7.81 70 C 8.87 4.69 0.00 3.06 2.93 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 71 C 8.70 5.03 0.00 2.79 2.66 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 72 V 7.16 4.52 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 0.76 0.00 0.00 0.90 0.00 0.00 73 W 7.96 5.09 0.00 3.13 3.06 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 74 L 8.49 4.38 0.00 1.75 1.78 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.26 4.63 0.00 3.26 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00