NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2829 8.4449 118.8012 55.5289 31.1671 175.7820 10 P 4.4104 0.0000 0.0000 61.0960 33.2993 169.7347 11 V 3.9956 9.4534 121.9331 62.5672 30.5477 172.6533 12 S 4.4496 7.6518 118.6701 58.5471 60.8189 172.3275 13 Y 3.5866 8.1374 118.9567 57.7763 35.8310 170.8205 14 P 4.1668 0.0000 0.0000 60.7653 31.1251 176.8171 15 I 2.9985 8.0762 126.9331 61.3343 35.3488 174.0601 16 F 4.5933 6.7356 117.2702 57.0018 39.2809 175.5906 17 T 4.1275 7.4517 113.0694 61.2506 69.4844 175.4096 18 V 3.6924 8.7594 125.6205 66.0948 31.5830 177.6187 19 R 3.9365 8.2668 117.9423 59.5640 29.4465 177.9009 20 W 4.0871 8.1059 126.8404 60.7093 31.0260 177.4056 21 V 3.6858 8.6145 118.0944 66.6009 30.8741 177.5500 22 A 3.9010 8.0384 120.5044 54.9559 18.0048 179.8363 23 V 3.3415 7.5010 116.1038 65.8368 31.6598 177.5023 24 H 4.0584 7.7212 115.3082 57.4958 29.2088 177.1256 25 T 3.8898 7.7138 111.0842 64.0042 68.3516 175.9343 26 L 4.1941 7.6061 121.2762 57.6718 42.4207 177.4465 27 A 3.9562 7.6382 119.9012 54.4723 17.8568 179.7334 28 V 3.2581 7.9426 113.0708 64.8235 32.3192 176.5594 29 P 4.2849 0.0000 0.0000 66.3206 31.1582 178.1735 30 T 4.0362 7.9755 113.4633 67.3274 68.4207 176.2958 31 I 3.8247 7.9101 121.1278 64.6346 37.2870 178.1623 32 F 4.0566 8.6281 121.5077 61.0550 38.9255 177.1189 33 F 4.1538 8.6586 117.1136 60.2420 38.7486 177.7984 34 L 3.5502 9.0995 120.9447 57.6416 41.6691 178.8165 35 G 3.5302 7.7885 104.6572 46.6906 0.0000 175.4201 36 A 3.8015 7.2139 122.2403 54.8529 18.4740 179.6189 37 I 3.8145 8.8381 118.6737 64.5933 37.1133 178.5309 38 A 4.0489 7.3723 119.1562 54.7138 18.5364 178.8778 39 A 4.2006 7.9117 119.3219 54.8985 18.6992 179.5444 40 M 4.2174 8.3579 117.6765 58.2516 31.8823 178.5912 41 Q 3.6046 8.3052 117.0967 58.9484 28.9477 177.6233 42 F 4.2117 7.8215 112.7175 57.6125 39.2850 175.9541 43 I 4.0145 8.3166 123.5819 61.3553 37.6174 175.1902 44 Q 4.3676 8.6438 125.0393 57.4497 30.0315 175.5896 45 R 4.2036 7.6026 119.4122 56.6181 31.1641 174.8650 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 9 E 8.44 4.28 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 10 P 0.00 4.41 0.00 2.16 2.08 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 11 V 9.45 4.00 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 0.69 0.00 0.00 0.92 0.00 0.00 12 S 7.65 4.45 0.00 3.94 3.98 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 13 Y 8.14 3.59 0.00 3.09 3.04 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 0.00 0.00 0.00 14 P 0.00 4.17 0.00 1.98 1.93 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 15 I 8.08 3.00 0.90 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.04 0.27 0.00 0.00 16 F 6.74 4.59 0.00 3.04 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 17 T 7.45 4.13 4.31 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 1.23 0.00 0.00 18 V 8.76 3.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.00 0.00 0.00 19 R 8.27 3.94 0.00 1.96 2.02 0.00 3.26 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 20 W 8.11 4.09 0.00 3.25 3.42 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 0.00 0.00 0.00 0.00 21 V 8.61 3.69 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 1.03 0.00 0.00 1.22 0.00 0.00 22 A 8.04 3.90 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 23 V 7.50 3.34 2.18 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 0.84 0.00 0.00 1.02 0.00 0.00 24 H 7.72 4.06 0.00 2.43 2.88 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.71 3.89 4.20 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 1.17 0.00 0.00 26 L 7.61 4.19 0.00 1.63 1.69 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.64 3.96 1.12 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 0.00 0.00 28 V 7.94 3.26 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 1.09 0.00 0.00 0.91 0.00 0.00 29 P 0.00 4.28 0.00 2.29 2.34 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 30 T 7.98 4.04 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 1.24 0.00 0.00 31 I 7.91 3.82 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.07 0.95 0.00 0.00 32 F 8.63 4.06 0.00 3.15 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 33 F 8.66 4.15 0.00 3.24 3.08 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 34 L 9.10 3.55 0.00 1.84 1.76 0.95 1.24 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 35 G 7.79 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.21 3.80 1.16 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 0.00 0.00 37 I 8.84 3.81 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.94 0.00 0.00 38 A 7.37 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.20 1.34 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 0.00 0.00 40 M 8.36 4.22 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.59 0.00 41 Q 8.31 3.60 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.06 0.00 0.00 0.00 0.00 0.00 2.68 2.39 0.00 42 F 7.82 4.21 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.32 4.01 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.93 0.00 0.00 44 Q 8.64 4.37 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 45 R 7.60 4.20 0.00 1.79 1.74 0.00 3.29 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00