NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4556 8.3049 120.3241 54.7603 33.4447 174.8256 2 S 4.0642 8.3287 116.7756 58.1815 63.3936 172.8824 3 S 4.3474 8.9405 121.4411 57.3339 63.8009 171.0660 4 G 3.8880 7.4490 120.9526 43.6616 0.0000 173.1958 5 K 4.7095 7.6464 119.6896 53.6419 36.4550 175.8378 6 K 4.7073 8.2889 118.5923 54.4123 35.1776 174.6509 7 P 5.2494 0.0000 0.0000 61.8459 33.4057 175.3677 8 V 4.7007 8.8358 120.0198 59.6218 35.2598 174.7187 9 K 4.5923 8.7365 124.0851 56.3493 32.5032 176.2868 10 V 4.3942 8.7764 127.5946 59.5810 34.8753 175.0331 11 K 4.7157 8.4357 122.4611 56.4265 33.0113 176.6870 12 T 3.8273 8.7662 114.8353 59.6268 70.6594 174.2692 13 P 4.0757 0.0000 0.0000 64.7404 31.4893 177.5107 14 A 4.0854 7.6756 119.4707 52.6072 18.9691 177.8877 15 G 4.0040 7.8551 104.6264 45.0237 0.0000 173.5523 16 K 4.5660 8.2270 119.3455 54.5236 35.3355 175.3475 17 E 4.9721 8.4461 119.4093 54.9662 32.5772 175.0648 18 A 4.6340 8.8289 125.2846 50.6386 23.7017 174.7740 19 E 4.9129 8.7299 118.9473 55.4673 29.9720 175.8727 20 L 4.9915 8.6190 125.2962 52.8191 45.0771 176.0065 21 V 4.7553 8.3181 121.4325 59.3871 32.9835 173.9606 22 P 3.7057 0.0000 0.0000 62.4547 31.7382 176.1860 23 E 4.2407 9.0033 122.8129 58.3498 30.4847 177.1659 24 K 4.6986 7.7596 120.1623 54.8270 35.8431 175.3092 25 V 4.8920 8.6587 119.9911 59.3164 34.8246 174.8067 26 W 5.4614 8.7509 120.5450 54.9545 31.9542 173.5512 27 A 5.1551 8.8055 121.4032 50.3049 21.9918 176.1876 28 L 4.6065 9.4058 119.2094 52.9763 44.3495 175.3593 29 A 4.7206 8.5037 126.7812 49.5657 19.3361 173.8820 30 P 4.5666 0.0000 0.0000 61.9692 32.5073 176.5502 31 K 4.2514 8.4453 122.3424 58.3085 32.8421 177.3754 32 G 3.9615 9.2235 112.0027 45.1222 0.0000 172.4185 33 R 4.8670 7.5188 118.2987 54.3218 33.1210 174.7658 34 K 4.5722 8.3721 116.8852 55.2124 34.1185 177.3235 35 G 3.8583 8.2519 111.1819 44.9253 0.0000 173.3154 36 V 3.9159 8.1765 119.8992 61.0747 33.2003 175.3352 37 K 5.0252 8.4134 121.0399 54.8016 36.6471 175.2279 38 I 4.6114 8.4662 122.7576 59.3740 41.3931 174.6436 39 G 3.7311 8.6798 113.0813 43.9010 0.0000 171.1865 40 L 4.9843 8.5056 125.1550 53.6493 43.8236 175.5679 41 F 5.0072 9.1176 124.3438 55.4074 43.2838 173.5451 42 K 4.6897 8.4618 120.6865 54.6148 34.1540 174.7241 43 D 4.9285 9.6601 128.6922 53.3174 41.9202 174.8868 44 P 4.5127 0.0000 0.0000 63.7229 32.1377 176.3659 45 E 4.2876 8.3203 119.8044 58.3501 30.4144 176.6054 46 T 4.1420 9.1862 108.1662 62.7785 69.6354 175.7597 47 G 3.9922 8.1756 108.2451 44.4422 0.0000 173.6386 48 K 4.4052 7.7075 118.3832 56.7660 34.5818 175.3411 49 Y 5.2004 8.6126 118.7125 56.6689 39.4031 175.2830 50 F 5.3030 9.2347 119.3477 54.9821 41.3429 174.1337 51 R 5.0197 8.9338 118.2360 55.9070 31.2181 175.1353 52 H 5.1348 9.4074 121.4267 54.2382 33.8164 172.5421 53 K 4.3933 8.5970 125.0378 57.2691 33.0383 176.5195 54 L 4.4502 8.6313 124.4805 52.3668 44.0100 174.6825 55 P 4.4448 0.0000 0.0000 62.4790 31.7954 177.7746 56 D 4.6422 8.5242 119.5797 55.1604 39.6558 176.5359 57 D 4.6144 7.9349 117.3161 54.1408 41.6858 175.3423 58 Y 4.0512 7.6502 120.6191 57.4765 39.0337 173.5463 59 P 4.3286 0.0000 0.0000 62.6298 30.9877 176.2447 60 I 4.0526 8.1136 116.3001 60.8427 37.6148 175.4955 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 8.30 4.46 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 S 8.33 4.06 0.00 3.94 3.80 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 3 S 8.94 4.35 0.00 3.85 3.80 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 4 G 7.45 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 5 K 7.65 4.71 0.00 1.73 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.42 7.81 6 K 8.29 4.71 0.00 1.49 1.53 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.36 7.81 7 P 0.00 5.25 0.00 2.16 2.13 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 8 V 8.84 4.70 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 0.85 0.00 0.00 0.87 0.00 0.00 9 K 8.74 4.59 0.00 1.94 1.78 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 10 V 8.78 4.39 1.55 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 0.22 0.00 0.00 0.16 0.00 0.00 11 K 8.44 4.72 0.00 1.56 1.67 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.37 7.81 12 T 8.77 3.83 4.27 0.00 0.00 0.00 0.00 0.00 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 13 P 0.00 4.08 0.00 1.87 1.96 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.32 0.00 14 A 7.68 4.09 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.86 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 4.57 0.00 1.59 1.68 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.50 7.81 17 E 8.45 4.97 0.00 1.75 1.78 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 2.14 2.23 0.00 18 A 8.83 4.63 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.73 4.91 0.00 1.88 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 2.26 2.33 0.00 20 L 8.62 4.99 0.00 1.58 1.78 1.09 0.75 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 21 V 8.32 4.76 2.16 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 0.75 0.00 0.00 1.00 0.00 0.00 22 P 0.00 3.71 0.00 1.80 1.02 0.00 4.05 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 23 E 9.00 4.24 0.00 1.97 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 2.40 2.55 0.00 24 K 7.76 4.70 0.00 1.83 1.84 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.53 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.81 1.57 7.81 25 V 8.66 4.89 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 0.69 0.00 0.00 0.97 0.00 0.00 26 W 8.75 5.46 0.00 3.29 3.16 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 0.00 0.00 0.00 0.00 27 A 8.81 5.16 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 28 L 9.41 4.61 0.00 1.59 1.62 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.50 4.72 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 30 P 0.00 4.57 0.00 2.20 1.98 0.00 3.71 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 31 K 8.45 4.25 0.00 1.87 1.84 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 32 G 9.22 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 0.00 0.00 0.00 33 R 7.52 4.87 0.00 1.97 1.87 0.00 3.30 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 34 K 8.37 4.57 0.00 1.72 1.71 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.40 7.81 35 G 8.25 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.18 3.92 2.05 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 0.83 0.00 0.00 0.99 0.00 0.00 37 K 8.41 5.03 0.00 1.58 1.54 0.00 1.90 0.00 0.00 1.94 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.61 7.81 38 I 8.47 4.61 0.67 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 1.01 0.64 0.58 0.00 0.00 39 G 8.68 3.73 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 0.00 0.00 0.00 40 L 8.51 4.98 0.00 2.14 1.64 1.15 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.12 5.01 0.00 1.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 4.69 0.00 1.29 1.57 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.13 0.87 7.81 43 D 9.66 4.93 0.00 2.88 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 44 P 0.00 4.51 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 45 E 8.32 4.29 0.00 1.88 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 2.18 2.31 0.00 46 T 9.19 4.14 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 1.18 0.00 0.00 47 G 8.18 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 48 K 7.71 4.41 0.00 2.00 2.01 0.00 1.32 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.55 7.81 49 Y 8.61 5.20 0.00 2.95 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 50 F 9.23 5.30 0.00 3.08 3.13 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 0.00 0.00 0.00 0.00 51 R 8.93 5.02 0.00 2.04 2.31 0.00 3.39 0.00 0.00 3.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 52 H 9.41 5.13 0.00 3.52 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.60 4.39 0.00 1.76 1.72 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.63 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.25 7.81 54 L 8.63 4.45 0.00 1.30 1.02 0.71 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.44 0.00 2.27 1.99 0.00 3.27 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 56 D 8.52 4.64 0.00 2.92 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 57 D 7.93 4.61 0.00 2.66 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 58 Y 7.65 4.05 0.00 3.00 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 59 P 0.00 4.33 0.00 2.05 1.97 0.00 2.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 60 I 8.11 4.05 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 1.06 0.00 0.00