NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4775 8.3049 120.3272 54.2023 33.4690 174.9976 2 P 4.0886 0.0000 0.0000 65.4754 31.3368 175.5576 3 L 4.2770 8.4588 119.9080 54.3085 40.9424 175.4716 4 T 4.3172 7.8128 120.0975 61.7138 67.3432 174.6866 5 D 4.6632 8.0165 125.4922 51.6694 40.7649 175.8068 6 P 4.1564 0.0000 0.0000 63.9953 31.2457 177.0821 7 A 4.3209 7.1537 122.4470 50.7186 20.2605 175.9046 8 K 4.3893 8.3670 122.6881 56.6085 33.3169 177.6463 9 L 4.3459 8.2373 117.3739 55.8013 41.6450 176.6696 10 Q 4.7845 7.6663 119.0190 53.8242 31.6253 176.3394 11 I 4.1755 8.2233 110.0958 62.1975 37.6119 177.2151 12 V 3.7000 7.5046 115.6179 64.6284 31.7775 176.9823 13 Q 4.1705 7.7997 121.7478 55.3852 27.3316 174.2877 14 Q 3.4577 7.8858 121.0018 56.1535 27.0764 171.8468 15 R 4.7777 7.6587 117.2122 53.9709 34.1836 176.1921 16 V 3.7769 8.3091 114.0672 62.9631 32.1625 176.5844 17 F 4.3084 7.9451 119.1548 57.0528 39.1651 175.4154 18 L 4.5475 8.3225 126.0630 53.7530 43.7400 176.1559 19 K 4.4472 8.4798 118.9210 56.1884 34.3409 176.0605 20 K 5.0187 8.3597 121.1816 54.8805 34.3246 176.0263 21 V 4.7223 8.7135 125.0331 59.6167 33.8660 174.8537 22 C 4.6469 9.1229 126.6305 59.7701 32.2257 174.0772 23 R 4.2886 8.8779 121.8012 56.6549 29.5508 176.9120 24 K 4.3324 7.8680 117.1129 58.5819 33.3980 177.2358 25 C 4.2333 8.0595 114.4550 60.0351 28.8426 175.0611 26 G 3.7596 8.2261 106.0368 45.3611 0.0000 172.5510 27 A 4.3038 7.8101 122.0600 50.9253 19.7454 177.3529 28 L 4.8403 8.5407 123.5417 54.4299 42.4688 176.3352 29 N 5.1591 9.3095 122.1590 50.3565 41.8491 173.2045 30 P 4.4138 0.0000 0.0000 62.5036 31.9744 177.5781 31 I 3.7750 8.2307 113.0288 63.6060 37.5838 177.4510 32 R 4.0453 7.8876 119.0691 58.1848 30.4069 176.9217 33 A 4.1948 7.7110 121.0367 52.1973 18.8574 177.5578 34 T 4.1735 8.4429 111.8934 63.5155 69.6151 174.2955 35 K 4.4902 7.4517 118.5804 55.2586 35.7293 174.4886 36 C 4.2370 8.5707 119.1084 59.9570 31.6524 173.4330 37 R 4.4570 9.0058 123.4178 56.3347 29.3612 176.5810 38 R 4.3862 7.9509 116.1570 58.0271 31.8600 176.6487 39 C 4.6503 7.6887 107.6960 57.0368 31.0601 173.1069 40 H 4.1596 7.6326 116.0784 57.3753 26.6199 175.0175 41 S 4.5286 8.1296 110.7709 57.4124 62.5566 173.7390 42 T 3.5142 7.8258 106.3486 63.2014 67.7440 172.6503 43 N 4.9109 7.4693 119.0189 52.3083 37.1359 173.5531 44 L 5.3256 7.8679 119.7774 52.5421 45.9606 176.4564 45 R 4.6338 8.7170 118.0372 54.1280 32.2892 174.3751 46 L 4.5909 8.6458 126.1809 54.4699 42.7692 176.6484 47 K 4.0920 8.8340 126.0815 56.0437 33.1284 176.4182 48 K 3.7297 8.7372 123.0350 56.7782 32.0217 176.5208 49 K 3.8328 8.6858 128.3345 57.4576 32.3620 177.5921 50 E 3.8560 8.0687 117.9381 55.3746 28.2842 172.7467 51 L 4.8369 7.8638 117.3955 52.4799 44.6587 175.0217 52 P 4.3742 0.0000 0.0000 65.3173 31.8975 177.2460 53 T 4.5126 7.7373 112.1722 64.4770 72.6795 173.7286 54 K 4.7149 7.6405 116.8790 54.4647 35.4570 175.2887 55 K 4.2687 8.4540 117.6258 55.5414 32.8643 177.5611 56 G 3.5555 8.5629 108.6396 46.0773 0.0000 172.6011 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 4.48 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 P 0.00 4.09 0.00 2.11 2.15 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 3 L 8.46 4.28 0.00 1.64 1.64 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.81 4.32 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 5 D 8.02 4.66 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 6 P 0.00 4.16 0.00 2.20 2.22 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 7 A 7.15 4.32 1.26 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 0.00 0.00 0.00 8 K 8.37 4.39 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.88 1.56 7.81 9 L 8.24 4.35 0.00 1.63 1.68 0.92 0.82 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 10 Q 7.67 4.78 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 11 I 8.22 4.18 1.99 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 1.54 0.43 1.04 0.00 0.00 12 V 7.50 3.70 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 0.61 0.00 0.00 1.07 0.00 0.00 13 Q 7.80 4.17 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 14 Q 7.89 3.46 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 15 R 7.66 4.78 0.00 1.94 1.89 0.00 3.47 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 16 V 8.31 3.78 1.83 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 0.57 0.00 0.00 0.40 0.00 0.00 17 F 7.95 4.31 0.00 3.06 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 18 L 8.32 4.55 0.00 1.56 1.66 0.97 0.97 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 19 K 8.48 4.45 0.00 1.69 1.94 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.42 7.81 20 K 8.36 5.02 0.00 1.66 1.71 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.37 7.81 21 V 8.71 4.72 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 0.99 0.00 0.00 0.95 0.00 0.00 22 C 9.12 4.65 0.00 3.02 3.02 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 23 R 8.88 4.29 0.00 1.95 2.02 0.00 3.10 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 24 K 7.87 4.33 0.00 1.75 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.37 7.81 25 C 8.06 4.23 0.00 3.03 2.96 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 26 G 8.23 3.76 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 0.00 0.00 0.00 27 A 7.81 4.30 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 8.54 4.84 0.00 1.52 1.63 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 N 9.31 5.16 0.00 2.58 2.70 0.00 0.00 6.39 8.12 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 30 P 0.00 4.41 0.00 2.21 2.18 0.00 3.70 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 2.07 1.96 0.00 31 I 8.23 3.78 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 0.98 0.00 0.00 32 R 7.89 4.05 0.00 1.82 2.02 0.00 3.36 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 33 A 7.71 4.19 1.27 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 0.00 0.00 0.00 34 T 8.44 4.17 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 35 K 7.45 4.49 0.00 1.94 1.82 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.48 7.81 36 C 8.57 4.24 0.00 2.96 2.90 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 37 R 9.01 4.46 0.00 1.94 2.00 0.00 3.15 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 38 R 7.95 4.39 0.00 1.72 1.93 0.00 3.17 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 39 C 7.69 4.65 0.00 3.02 2.97 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 40 H 7.63 4.16 0.00 3.33 3.41 0.00 5.83 0.00 0.00 0.00 0.00 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.13 4.53 0.00 3.84 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 42 T 7.83 3.51 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 1.22 0.00 0.00 43 N 7.47 4.91 0.00 2.77 2.78 0.00 0.00 7.03 6.62 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 44 L 7.87 5.33 0.00 1.49 1.54 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.72 4.63 0.00 1.82 2.00 0.00 2.77 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 46 L 8.65 4.59 0.00 1.71 1.66 1.02 0.85 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 47 K 8.83 4.09 0.00 1.68 1.75 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.53 7.81 48 K 8.74 3.73 0.00 1.69 1.77 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.61 7.81 49 K 8.69 3.83 0.00 1.75 1.77 0.00 1.84 0.00 0.00 1.16 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.21 7.81 50 E 8.07 3.86 0.00 2.13 1.99 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 2.19 2.48 0.00 51 L 7.86 4.84 0.00 1.54 1.65 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.37 0.00 2.02 2.03 0.00 3.78 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 2.00 2.06 0.00 53 T 7.74 4.51 4.23 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 1.20 0.00 0.00 54 K 7.64 4.71 0.00 1.81 1.79 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.40 7.81 55 K 8.45 4.27 0.00 1.77 1.77 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 56 G 8.56 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00