NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6382 8.1776 115.5598 58.2043 64.7305 173.1755 3 S 4.9616 8.1548 118.6784 57.0667 64.0410 172.2167 4 G 3.7313 8.9601 109.2143 46.2366 0.0000 172.9783 5 K 4.6181 8.6905 115.9409 57.4591 33.8063 176.8417 6 K 4.3631 7.8670 122.6523 55.6142 33.4041 175.1317 7 P 4.6464 0.0000 0.0000 62.9378 32.2944 175.7944 8 V 4.5117 8.9971 122.7107 60.8349 34.5899 174.7128 9 K 4.6025 8.7159 127.2926 56.5917 32.4183 176.6558 10 V 4.2466 8.9545 118.1104 59.1952 36.3509 174.3224 11 K 4.7993 8.3858 123.7515 55.2751 33.3457 176.5681 12 T 3.4549 8.8907 118.0224 59.9246 69.8489 174.0345 13 P 4.0208 0.0000 0.0000 65.1194 31.3701 177.7192 14 A 4.0062 7.0192 116.3084 53.0137 18.4247 178.1224 15 G 3.8534 8.1017 104.0809 45.0133 0.0000 173.2656 16 K 4.6025 7.8267 118.5685 54.3145 34.6637 175.5109 17 E 4.7328 8.6337 123.0216 56.0745 30.5541 175.9489 18 A 4.6438 9.0335 125.0929 50.5099 23.3663 175.0682 19 E 4.9566 8.8128 120.8413 55.2571 30.2914 175.5119 20 L 4.9567 8.8956 125.0933 52.6078 45.8297 176.1852 21 V 4.3775 8.4389 122.5575 61.6648 31.9604 173.9988 22 P 3.7051 0.0000 0.0000 62.5199 32.2982 176.9482 23 E 4.0506 8.8698 123.6509 58.9168 30.8963 176.4078 24 K 5.1188 7.6358 118.9420 55.0561 35.9388 175.2903 25 V 5.0777 9.0236 119.6872 59.6971 35.4800 174.6752 26 W 5.0705 8.4155 119.1811 55.6480 31.9314 172.8900 27 A 4.7135 8.7761 122.6981 51.2398 19.4786 177.0388 28 L 4.7411 9.2279 125.0241 53.1780 43.6226 174.6757 29 A 4.8325 8.2424 127.2312 49.4759 22.3379 174.2927 30 P 4.5404 0.0000 0.0000 61.6274 32.2885 176.0420 31 K 4.0974 8.4597 119.6328 58.0747 32.2684 177.5075 32 G 3.9653 8.9419 110.1385 46.0788 0.0000 173.1996 33 R 4.7278 7.4985 116.6676 53.5252 33.3182 176.0187 34 K 3.9423 8.7709 122.0178 58.5939 32.6961 178.3231 35 G 3.8539 7.9967 105.7042 44.8509 0.0000 171.3157 36 V 4.6084 8.1758 111.8314 59.7375 36.7109 174.4496 37 K 4.8938 8.4212 119.5015 54.8718 34.9437 175.7511 38 I 4.5598 8.2495 124.9133 59.2063 40.5281 174.8144 39 G 3.9969 8.6837 112.5105 44.0852 0.0000 171.4748 40 L 5.0429 8.4480 124.8043 53.4490 43.7215 175.4253 41 F 4.9794 9.2934 124.6408 55.3119 43.1256 173.8173 42 K 4.6719 8.2745 121.4384 54.1902 34.3040 175.1313 43 D 4.7673 9.4066 128.5882 54.0159 41.5076 175.4404 44 P 4.4211 0.0000 0.0000 64.8125 31.8929 176.8135 45 E 4.4211 8.6614 118.2756 57.4583 30.6421 176.9586 46 T 4.1771 8.1578 106.5721 61.0972 69.8103 175.8949 47 G 3.8428 8.0931 109.3964 45.1499 0.0000 173.3792 48 K 4.2403 7.9613 122.8829 56.3854 33.1335 175.8006 49 Y 4.9618 8.8121 125.7074 58.2220 38.8350 174.7879 50 F 5.2005 9.4606 117.4221 55.9564 41.9479 173.0686 51 R 5.2944 8.7777 118.2915 55.1941 32.4489 175.1588 52 H 4.9113 8.9502 121.0131 54.3177 33.8067 172.6157 53 K 4.3435 8.5958 125.8256 57.0547 32.6305 175.6993 54 L 4.7831 8.2887 125.7871 51.9654 44.5350 174.7843 55 P 4.3768 0.0000 0.0000 62.8630 31.8534 177.5323 56 D 4.4467 8.8208 121.3413 57.1588 40.8495 177.2864 57 D 4.9041 7.8966 116.6755 53.9444 41.2558 175.3496 58 Y 4.0288 7.9584 121.3871 56.4114 39.1969 173.6740 59 P 4.2153 0.0000 0.0000 62.9741 31.7729 176.3991 60 I 4.1637 8.3428 123.2352 61.4298 37.3277 175.5458 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 S 8.18 4.64 0.00 3.96 4.11 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 3 S 8.15 4.96 0.00 4.03 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 4 G 8.96 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 5 K 8.69 4.62 0.00 1.60 1.69 0.00 1.37 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.31 1.41 7.81 6 K 7.87 4.36 0.00 1.69 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.35 7.81 7 P 0.00 4.65 0.00 1.99 2.05 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 8 V 9.00 4.51 2.24 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 1.02 0.00 0.00 0.86 0.00 0.00 9 K 8.72 4.60 0.00 1.67 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.47 7.81 10 V 8.95 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.64 0.00 0.00 11 K 8.39 4.80 0.00 1.70 1.69 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.36 7.81 12 T 8.89 3.45 4.09 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 1.18 0.00 0.00 13 P 0.00 4.02 0.00 1.91 2.02 0.00 3.30 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 1.79 1.56 0.00 14 A 7.02 4.01 1.22 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 0.00 0.00 15 G 8.10 3.85 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 0.00 0.00 0.00 16 K 7.83 4.60 0.00 1.66 1.66 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.34 7.81 17 E 8.63 4.73 0.00 1.82 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 2.26 2.28 0.00 18 A 9.03 4.64 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 19 E 8.81 4.96 0.00 1.87 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 2.26 2.33 0.00 20 L 8.90 4.96 0.00 1.78 1.74 1.12 0.75 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 21 V 8.44 4.38 2.12 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 0.89 0.00 0.00 0.99 0.00 0.00 22 P 0.00 3.71 0.00 1.63 0.74 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.54 0.00 23 E 8.87 4.05 0.00 2.11 2.13 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 2.33 2.29 0.00 24 K 7.64 5.12 0.00 1.84 1.79 0.00 1.55 0.00 0.00 2.26 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.61 1.40 7.81 25 V 9.02 5.08 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 0.66 0.00 0.00 1.16 0.00 0.00 26 W 8.42 5.07 0.00 3.38 3.23 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 27 A 8.78 4.71 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 28 L 9.23 4.74 0.00 1.72 1.51 1.06 1.03 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 29 A 8.24 4.83 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 30 P 0.00 4.54 0.00 2.20 2.00 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 31 K 8.46 4.10 0.00 1.73 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 32 G 8.94 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.50 4.73 0.00 1.90 1.81 0.00 3.35 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 34 K 8.77 3.94 0.00 1.72 1.84 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 35 G 8.00 3.85 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 0.00 0.00 0.00 36 V 8.18 4.61 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 0.68 0.00 0.00 0.93 0.00 0.00 37 K 8.42 4.89 0.00 1.63 1.60 0.00 1.90 0.00 0.00 2.04 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 38 I 8.25 4.56 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.04 0.37 0.00 0.00 39 G 8.68 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 40 L 8.45 5.04 0.00 2.06 1.64 1.08 0.75 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 41 F 9.29 4.98 0.00 1.51 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.67 0.00 1.18 1.47 0.00 0.94 0.00 0.00 1.38 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.07 0.83 7.81 43 D 9.41 4.77 0.00 2.85 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 44 P 0.00 4.42 0.00 2.23 2.19 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 45 E 8.66 4.42 0.00 2.07 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 2.25 2.21 0.00 46 T 8.16 4.18 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 1.19 0.00 0.00 47 G 8.09 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 48 K 7.96 4.24 0.00 1.91 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.55 7.81 49 Y 8.81 4.96 0.00 3.02 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 50 F 9.46 5.20 0.00 3.17 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 51 R 8.78 5.29 0.00 1.82 1.92 0.00 3.37 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 52 H 8.95 4.91 0.00 3.32 2.99 0.00 5.60 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 53 K 8.60 4.34 0.00 1.73 1.65 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.44 7.81 54 L 8.29 4.78 0.00 1.42 1.29 0.51 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.38 0.00 2.30 2.04 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 56 D 8.82 4.45 0.00 2.68 2.77 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 0.00 0.00 0.00 57 D 7.90 4.90 0.00 2.67 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 58 Y 7.96 4.03 0.00 3.06 2.87 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 59 P 0.00 4.22 0.00 1.82 1.86 0.00 2.30 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 60 I 8.34 4.16 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 1.02 0.00 0.00