NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.2334 8.3027 118.7877 56.3967 31.4682 177.7004 20 I 3.6010 7.6222 118.4274 62.1191 38.1834 173.8340 21 D 4.8454 7.2112 117.7648 52.7421 45.5090 174.6380 22 Y 4.2870 8.6900 120.5958 59.6639 38.4178 177.6531 23 K 3.8655 6.5140 117.6451 58.2514 33.3420 176.2577 24 D 4.6272 7.4090 121.3330 53.8273 40.5225 177.2947 25 I 3.9220 7.4831 114.0652 62.8406 37.7720 177.0513 26 A 3.9887 8.0021 122.8336 55.4573 18.5426 178.7426 27 T 4.3713 8.0456 106.3734 62.8029 69.6403 177.0711 28 L 4.2074 7.8336 122.4981 57.5806 41.5921 178.8191 29 K 4.0331 7.7349 117.0113 59.5652 32.3170 177.7827 30 N 4.4307 7.8240 116.9137 55.1834 39.3781 174.3215 31 Y 4.9234 8.6141 119.1749 57.0190 39.2079 175.8030 32 I 4.9854 7.7807 113.2494 59.4935 40.2328 174.5813 33 T 3.9205 8.7625 118.0607 61.4304 69.7826 174.6331 34 E 4.4955 8.6900 121.1014 57.0507 29.0288 177.7430 35 S 5.5179 7.4087 112.1302 56.2918 64.5420 174.2492 36 G 4.0136 8.2159 108.2782 45.1478 0.0000 173.8226 37 K 4.4287 8.0369 120.3623 54.8997 33.6486 176.4467 38 I 4.1388 8.4788 125.3634 62.3161 37.6500 175.3273 39 V 4.3828 8.0360 125.4667 60.4433 33.2054 174.0198 40 P 4.4307 0.0000 0.0000 62.3561 32.1733 177.4616 41 S 4.1809 8.9587 118.1130 61.7120 62.5006 176.7574 42 R 4.1398 8.0363 117.2315 58.2989 29.0695 177.1017 43 I 4.2212 7.6690 119.7464 63.4582 38.4593 177.4164 44 T 4.0355 7.7784 111.3989 63.1654 68.6825 175.2775 45 G 3.9052 8.5184 108.6938 45.1992 0.0000 173.3313 46 T 3.8792 7.8991 115.1989 61.5785 67.9762 174.7499 47 R 4.0668 8.5030 125.2129 56.3195 31.3938 177.3260 48 A 3.9213 8.4815 121.5158 55.3123 18.4030 179.6773 49 K 3.8241 8.2197 117.2016 60.1983 32.0301 178.3012 50 Y 3.9482 8.1889 116.0012 61.2161 38.0212 177.4940 51 Q 3.8786 8.0395 120.4055 59.6198 28.9285 179.4911 52 R 3.8846 7.9479 118.1733 59.5205 30.0527 178.8432 53 Q 3.9644 7.6535 117.7950 59.3163 28.4925 178.7213 54 L 4.0043 8.1027 121.5463 57.4100 42.1399 178.3049 55 A 3.9628 8.2333 120.4707 55.9896 18.2958 179.0872 56 R 3.8079 7.9728 115.3264 59.2601 30.0910 178.5602 57 A 4.0482 7.9963 119.8575 55.7870 18.6224 179.4345 58 I 3.6309 8.0503 117.9504 64.7494 37.1440 178.5652 59 K 3.8258 8.3600 119.1895 59.5923 31.7867 179.2852 60 R 3.9346 8.3601 118.2833 59.5526 30.0391 178.7321 61 A 4.1953 8.6072 120.5512 55.5272 18.1741 179.9787 62 R 4.4398 7.7349 117.5243 59.3575 29.8850 178.9845 63 Y 4.1029 7.6887 114.9666 60.7444 38.0016 176.9138 64 L 4.4639 7.8224 117.6795 53.9719 41.6342 176.4719 65 S 3.9337 8.1194 113.4100 59.5112 61.2380 174.1673 66 L 4.1893 8.5797 121.4113 57.2504 41.9988 177.6728 67 L 4.7941 7.4949 117.5421 52.0096 44.0394 174.0037 68 P 4.8299 0.0000 0.0000 62.4793 32.9084 174.3528 69 Y 3.6906 8.6564 118.7896 60.3628 37.5243 180.0596 70 T 4.2582 8.5276 123.8297 62.4350 69.2476 170.7931 71 D 4.6890 8.4978 114.3338 56.2011 43.2993 178.8442 72 R 3.8761 7.8879 114.1936 59.1179 29.5287 175.7231 73 H 4.5074 7.5871 118.2093 55.3374 28.8563 174.6030 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 19 E 8.30 4.23 0.00 1.94 2.16 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 2.14 1.82 0.00 20 I 7.62 3.60 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 0.87 0.00 0.00 21 D 7.21 4.85 0.00 2.62 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 0.00 0.00 0.00 0.00 22 Y 8.69 4.29 0.00 3.33 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.51 3.87 0.00 1.61 1.40 0.00 1.33 0.00 0.00 1.09 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.61 1.10 7.81 24 D 7.41 4.63 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 3.92 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 1.59 0.50 1.02 0.00 0.00 26 A 8.00 3.99 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 27 T 8.05 4.37 4.38 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 1.27 0.00 0.00 28 L 7.83 4.21 0.00 1.81 1.82 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.73 4.03 0.00 1.92 1.99 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.49 7.81 30 N 7.82 4.43 0.00 2.58 2.91 0.00 0.00 6.99 8.07 0.00 0.00 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 Y 8.61 4.92 0.00 2.93 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 32 I 7.78 4.99 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.95 0.00 0.00 33 T 8.76 3.92 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 1.28 0.00 0.00 34 E 8.69 4.50 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 35 S 7.41 5.52 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.04 4.43 0.00 1.76 1.74 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.41 7.81 38 I 8.48 4.14 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.43 0.93 0.00 0.00 39 V 8.04 4.38 2.15 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 0.78 0.00 0.00 1.02 0.00 0.00 40 P 0.00 4.43 0.00 2.24 1.97 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 41 S 8.96 4.18 0.00 4.24 4.16 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 42 R 8.04 4.14 0.00 1.99 2.12 0.00 3.02 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 43 I 7.67 4.22 2.08 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 1.59 0.90 0.92 0.00 0.00 44 T 7.78 4.04 4.40 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 1.44 0.00 0.00 45 G 8.52 3.91 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 0.00 0.00 0.00 46 T 7.90 3.88 4.33 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 1.32 0.00 0.00 47 R 8.50 4.07 0.00 2.01 1.96 0.00 2.21 0.00 0.00 3.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 48 A 8.48 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 3.82 0.00 1.88 2.07 0.00 1.85 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.58 7.81 50 Y 8.19 3.95 0.00 2.93 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 3.88 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 52 R 7.95 3.88 0.00 2.05 1.95 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 53 Q 7.65 3.96 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 54 L 8.10 4.00 0.00 1.77 1.64 0.64 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.23 3.96 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 56 R 7.97 3.81 0.00 2.00 1.93 0.00 3.31 0.00 0.00 3.16 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 57 A 8.00 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 3.63 2.01 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 1.55 1.18 0.87 0.00 0.00 59 K 8.36 3.83 0.00 2.03 2.12 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.58 7.81 60 R 8.36 3.93 0.00 1.97 1.51 0.00 3.08 0.00 0.00 2.83 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 61 A 8.61 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.73 4.44 0.00 1.54 1.11 0.00 2.66 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 0.00 63 Y 7.69 4.10 0.00 2.94 3.09 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 0.00 64 L 7.82 4.46 0.00 1.84 1.79 1.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.12 3.93 0.00 4.00 3.94 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 66 L 8.58 4.19 0.00 1.76 1.78 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.49 4.79 0.00 1.66 1.52 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.83 0.00 2.37 2.07 0.00 3.76 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 1.98 1.99 0.00 69 Y 8.66 3.69 0.00 2.87 2.81 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 70 T 8.53 4.26 4.30 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 1.28 0.00 0.00 71 D 8.50 4.69 0.00 2.88 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.89 3.88 0.00 1.74 2.00 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 73 H 7.59 4.51 0.00 3.23 3.24 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00