NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4527 8.3049 120.3180 55.3438 33.4008 174.2974 1 R 4.4246 7.8950 118.4652 53.0301 34.5921 172.9750 2 P 4.1987 0.0000 0.0000 62.7187 32.8118 177.4412 3 D 4.3887 8.5130 121.3108 57.0290 40.8562 178.8844 4 F 4.3391 7.9109 114.6664 59.6628 37.5652 177.7880 5 C 4.6943 7.5172 116.1770 59.1331 40.0349 174.6810 6 L 4.3487 7.8092 118.7731 54.0397 42.0673 176.5149 7 E 4.3475 7.4766 119.3295 54.7382 30.3216 174.9816 8 P 4.3963 0.0000 0.0000 61.4913 32.1286 174.4081 9 P 3.5224 0.0000 0.0000 62.7895 31.2904 175.1875 10 Y 4.6173 7.8026 121.2018 56.0941 40.5307 175.3534 11 T 4.1656 8.2916 125.2525 65.1181 68.8731 176.0719 12 G 3.7293 6.8268 105.1085 44.0307 0.0000 171.1790 13 P 4.3501 0.0000 0.0000 64.5530 31.9423 177.7064 14 C 4.5020 7.8593 116.7194 57.3243 40.7123 173.1199 15 M 4.3953 8.2048 119.3702 55.3896 32.0399 176.3688 16 A 4.3250 7.6803 121.5841 50.9657 21.2280 177.7778 17 R 4.6937 8.0163 117.4007 54.5120 29.4946 173.0080 18 I 4.4059 8.3603 122.4482 59.1281 39.7817 175.3353 19 I 4.1904 8.2780 128.3499 61.2775 37.7138 175.4395 20 R 4.8590 8.3167 124.9312 54.7746 35.1823 173.4463 21 Y 5.6587 9.5582 117.7861 56.5604 41.2870 175.3058 22 F 5.7551 9.5670 116.9199 55.4309 42.0723 172.8437 23 Y 4.4404 10.1191 122.7687 57.1994 40.2093 173.6377 24 N 4.9013 7.9107 125.8985 51.5783 39.4898 175.0121 25 A 3.8781 8.4877 130.2397 54.8178 18.8718 178.8346 26 K 4.0551 8.1260 114.8731 58.8113 32.2111 177.9351 27 A 4.2604 7.9600 119.7288 51.7014 19.9489 177.8595 28 G 4.0029 8.8996 103.6691 45.0064 0.0000 172.5368 29 L 4.8653 6.8485 118.4635 54.0572 44.5514 175.3855 30 C 4.9070 8.6598 116.7151 56.3261 39.4981 173.1200 31 Q 4.8968 8.6590 124.0393 54.2890 32.3487 174.3988 32 T 4.8905 8.4478 113.0356 61.3199 70.6341 173.4240 33 F 4.9926 8.8335 116.9477 56.0422 42.0910 172.8539 34 V 4.2881 8.4021 119.6646 61.9410 32.4393 174.1336 35 Y 4.7781 8.7968 130.2146 56.0662 40.2581 176.5287 36 G 3.7684 8.2482 113.6196 46.3775 0.0000 175.0103 37 G 3.7768 6.1332 107.2954 45.3570 0.0000 172.5346 38 C 5.0176 6.7874 111.3910 54.3487 44.5941 173.1590 39 R 3.8562 8.8755 116.5666 56.9667 27.0432 176.7733 40 A 4.2121 8.4464 119.3535 52.6268 18.8568 178.5993 41 K 4.3009 8.3172 121.1868 55.0611 33.6639 177.4124 42 R 3.4613 7.9895 118.0806 58.7910 30.3963 177.5732 43 N 4.8136 7.7189 118.1761 51.4482 37.5053 174.6172 44 N 5.1369 6.6457 116.6238 52.8148 41.6005 173.0490 45 F 5.0363 9.5928 124.8265 55.6011 42.4578 176.5775 46 K 4.5408 8.8460 121.8476 58.2003 32.8189 177.8409 47 S 4.4989 7.7744 112.7941 55.4551 67.2554 174.6006 48 A 3.3311 7.2601 124.6696 54.8417 18.0280 179.8252 49 E 3.7205 7.7577 117.4095 59.5095 29.6846 178.5567 50 D 4.2737 7.8578 118.8707 57.4472 40.8621 178.0303 51 C 2.4500 7.5311 118.3398 59.0640 44.1628 175.7056 52 L 3.8189 7.8832 120.8125 57.7247 40.9526 179.5896 53 R 3.9756 7.9328 116.8457 58.4283 30.0238 178.0899 54 T 4.4017 7.0834 114.4991 64.1397 69.9846 174.5513 55 C 4.5274 8.2372 115.7602 55.5767 42.1248 174.0036 56 G 3.8474 7.3703 109.2613 47.4652 0.0000 174.0936 57 G 3.8545 8.9308 112.3178 45.0931 0.0000 173.0553 58 A 4.0581 7.2074 127.4044 52.3380 18.2455 177.4453 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 0 M 8.30 4.45 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 R 7.89 4.42 0.00 1.64 1.51 0.00 3.37 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.65 0.00 2 P 0.00 4.20 0.00 0.60 1.55 0.00 3.24 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 3 D 8.51 4.39 0.00 2.69 2.73 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 4 F 7.91 4.34 0.00 3.21 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.52 4.69 0.00 2.97 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.35 0.00 1.76 1.76 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.48 4.35 0.00 2.21 1.90 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 2.42 2.45 0.00 8 P 0.00 4.40 0.00 2.07 2.01 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 P 0.00 3.52 0.00 0.82 0.49 0.00 3.27 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.00 10 Y 7.80 4.62 0.00 2.80 2.89 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 11 T 8.29 4.17 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 1.18 0.00 0.00 12 G 6.83 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 13 P 0.00 4.35 0.00 2.18 2.19 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 14 C 7.86 4.50 0.00 2.86 2.95 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 0.00 0.00 0.00 15 M 8.20 4.40 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 16 A 7.68 4.32 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 17 R 8.02 4.69 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.36 4.41 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.98 0.00 0.00 19 I 8.28 4.19 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.40 0.68 0.00 0.00 20 R 8.32 4.86 0.00 0.88 1.91 0.00 3.43 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 21 Y 9.56 5.66 0.00 3.15 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 22 F 9.57 5.76 0.00 3.09 2.91 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 0.00 0.00 0.00 0.00 23 Y 10.12 4.44 0.00 3.10 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 24 N 7.91 4.90 0.00 2.30 2.42 0.00 0.00 6.71 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 25 A 8.49 3.88 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 4.06 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 7.96 4.26 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 28 G 8.90 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 29 L 6.85 4.87 0.00 1.68 1.70 0.80 0.62 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 30 C 8.66 4.91 0.00 2.89 3.15 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 0.00 31 Q 8.66 4.90 0.00 1.78 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 32 T 8.45 4.89 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 0.74 0.00 0.00 33 F 8.83 4.99 0.00 3.04 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 34 V 8.40 4.29 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.80 4.78 0.00 2.53 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 3.77 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 0.00 0.00 0.00 37 G 6.13 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 0.00 0.00 0.00 38 C 6.79 5.02 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 39 R 8.88 3.86 0.00 2.25 2.25 0.00 3.28 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 40 A 8.45 4.21 0.96 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 41 K 8.32 4.30 0.00 1.71 1.66 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.99 7.81 42 R 7.99 3.46 0.00 0.84 0.66 0.00 2.57 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.25 0.00 43 N 7.72 4.81 0.00 3.22 2.90 0.00 0.00 6.69 7.79 0.00 0.00 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 N 6.65 5.14 0.00 2.67 2.57 0.00 0.00 7.08 7.02 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 45 F 9.59 5.04 0.00 3.27 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 46 K 8.85 4.54 0.00 1.84 1.95 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.47 7.81 47 S 7.77 4.50 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.26 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.76 3.72 0.00 1.94 1.86 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 2.31 2.33 0.00 50 D 7.86 4.27 0.00 2.98 2.89 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 51 C 7.53 2.45 0.00 2.64 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 52 L 7.88 3.82 0.00 1.72 1.61 0.86 1.05 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 53 R 7.93 3.98 0.00 1.84 1.94 0.00 3.09 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 54 T 7.08 4.40 4.17 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 1.63 0.00 0.00 55 C 8.24 4.53 0.00 2.75 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.37 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 57 G 8.93 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 58 A 7.21 4.06 1.11 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 0.00 0.00