NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8445 8.5598 116.1944 58.9957 64.4517 173.1404 2 C 4.7259 8.7047 121.3712 53.3407 41.8606 169.5849 3 V 3.6346 8.8282 122.7841 66.9786 32.4027 176.1040 4 Y 4.3502 7.9157 112.3689 59.3251 39.9548 176.3946 5 I 3.9703 7.7656 111.8361 60.0045 38.3815 174.0960 6 P 4.3428 0.0000 0.0000 65.1374 30.8674 176.7167 7 C 5.1254 8.6901 126.1207 56.5881 46.5971 175.2346 8 T 3.4541 8.2219 107.2048 61.9657 67.7191 172.7362 9 V 4.4681 7.6896 118.5053 65.1242 36.8562 175.2126 10 T 4.4847 7.4347 106.6424 61.0343 69.8625 175.4967 11 A 4.3241 7.8244 124.9971 54.3462 18.7750 179.4910 12 L 3.9944 8.0643 115.6542 57.6385 41.6633 178.0916 13 L 4.2315 7.4560 116.1103 55.6957 40.9284 177.1803 14 G 4.0839 7.9023 108.8342 45.4555 0.0000 172.6130 15 C 4.5462 8.2961 120.8264 56.2745 43.6722 172.3666 16 S 4.9561 8.9482 123.8276 57.0381 64.1266 172.5823 17 C 4.7510 9.0288 125.7151 57.3525 44.9175 172.6651 18 S 4.7996 9.1383 123.6305 57.8349 64.7854 174.5247 19 N 4.1990 9.5409 121.6157 54.3942 36.2192 173.8060 20 R 3.7898 7.9957 110.5261 58.3126 28.2331 176.3265 21 V 4.7005 7.9146 116.7350 60.9449 35.1458 173.6795 22 C 4.5358 9.0551 128.4138 57.6287 44.5182 171.9131 23 Y 4.3553 9.2215 123.3120 55.7496 40.8929 175.8668 24 N 4.6815 8.2922 128.9372 52.4905 38.2941 173.7822 25 G 4.4589 8.7810 110.8756 45.2116 0.0000 172.8540 26 I 4.6845 7.1034 118.1107 57.6091 41.0604 172.7425 27 P 4.0089 0.0000 0.0000 63.0093 31.7048 176.9476 28 C 4.5632 7.7460 110.2829 56.6282 42.1306 175.6541 29 A 3.4779 8.2824 124.6678 51.7690 16.9151 178.1728 30 E 4.0579 8.4775 116.9702 57.1019 30.6800 174.1269 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 S 8.56 4.84 0.00 3.90 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 2 C 8.70 4.73 0.00 3.33 3.24 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 3 V 8.83 3.63 2.23 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 0.68 0.00 0.00 0.97 0.00 0.00 4 Y 7.92 4.35 0.00 2.99 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 5 I 7.77 3.97 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 1.54 0.59 0.95 0.00 0.00 6 P 0.00 4.34 0.00 2.21 2.24 0.00 3.86 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 2.01 1.98 0.00 7 C 8.69 5.13 0.00 2.95 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 8 T 8.22 3.45 4.25 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 1.23 0.00 0.00 9 V 7.69 4.47 2.36 0.00 0.00 0.00 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 0.99 0.00 0.00 10 T 7.43 4.48 4.22 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 1.23 0.00 0.00 11 A 7.82 4.32 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 12 L 8.06 3.99 0.00 1.62 1.76 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.46 4.23 0.00 1.69 1.77 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.90 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.30 4.55 0.00 3.13 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 16 S 8.95 4.96 0.00 3.98 3.81 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 17 C 9.03 4.75 0.00 3.14 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 18 S 9.14 4.80 0.00 3.70 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 19 N 9.54 4.20 0.00 2.88 2.87 0.00 0.00 6.10 7.42 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 20 R 8.00 3.79 0.00 2.00 2.06 0.00 2.96 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 21 V 7.91 4.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.06 0.00 0.00 22 C 9.06 4.54 0.00 3.18 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 23 Y 9.22 4.36 0.00 3.07 2.79 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 0.00 0.00 0.00 0.00 24 N 8.29 4.68 0.00 2.70 2.74 0.00 0.00 7.35 7.41 0.00 0.00 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 8.78 4.46 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 0.00 0.00 0.00 26 I 7.10 4.68 1.89 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 1.43 1.49 0.86 0.00 0.00 27 P 0.00 4.01 0.00 1.89 1.22 0.00 3.61 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 28 C 7.75 4.56 0.00 2.93 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 29 A 8.28 3.48 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 E 8.48 4.06 0.00 2.14 1.88 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 2.32 2.24 0.00