NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.7084 8.0600 120.2555 56.7668 32.1881 177.2232 2 M 3.8047 7.9895 116.7798 57.9258 32.0102 176.4481 3 R 3.9446 8.7343 119.7762 59.1928 30.6548 177.9062 4 Q 4.1867 7.8792 117.7243 58.6420 28.7813 178.0677 5 I 3.6842 8.0322 121.2364 64.6072 37.1883 178.2270 6 E 3.9560 8.2962 119.1755 59.4129 29.2439 179.1957 7 D 4.3011 8.0508 118.8100 57.5499 40.9715 178.9226 8 R 3.9162 8.1865 119.1957 59.3155 30.0191 178.4049 9 L 3.9889 8.2212 119.1550 57.8028 41.5711 179.3510 10 E 4.0371 8.3484 120.9661 60.1117 29.4260 179.8977 11 E 4.0388 8.1898 118.3300 60.9802 29.7361 181.0882 12 I 3.8370 7.7436 120.4679 64.3556 37.2126 178.1887 13 L 3.5595 7.8373 119.7865 58.0587 40.9425 179.8283 14 S 4.2712 7.9248 112.6271 61.2491 62.3040 176.3102 15 K 4.0497 8.1758 121.2161 59.4343 31.7661 179.0579 16 L 3.8901 8.2398 119.5449 58.3142 41.5214 179.1729 17 Y 4.4539 7.8868 116.6652 61.6905 37.8313 178.5840 18 H 4.4024 7.9973 115.8433 58.3056 28.8393 177.8201 19 I 3.7455 8.0275 122.0981 64.4899 36.8461 178.0787 20 C 4.1303 8.4808 117.8385 63.0138 27.9813 175.8065 21 N 4.3047 8.3348 118.0073 56.3603 38.0709 177.0556 22 E 3.9214 8.2675 120.4189 59.3725 29.7148 178.7740 23 L 3.9218 8.1632 118.9077 57.8436 41.6859 179.4620 24 A 3.9981 8.3131 120.8320 55.1706 18.2299 179.9505 25 R 3.8918 8.2492 116.7201 59.2892 30.1251 179.1049 26 I 3.6696 8.4351 120.1322 64.6804 37.3213 178.4285 27 R 3.9070 8.2899 119.3951 59.2726 29.5266 178.5790 28 R 3.8996 7.7688 118.0492 59.1710 30.4230 178.2032 29 L 4.1241 8.1144 118.8876 57.9280 41.2800 179.2943 30 L 4.0985 8.0925 119.0215 58.0117 41.3776 179.9797 31 G 3.7264 7.9268 103.8122 46.9691 0.0000 174.4629 32 E 4.5133 7.7842 118.7804 56.2022 29.7776 176.3064 33 R 4.2194 7.5197 123.9215 56.3240 30.3657 176.0972 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 R 8.06 4.71 0.00 1.90 1.98 0.00 3.25 0.00 0.00 3.44 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 2 M 7.99 3.80 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.71 0.00 3 R 8.73 3.94 0.00 2.01 1.91 0.00 3.34 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.29 0.00 4 Q 7.88 4.19 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 5 I 8.03 3.68 2.01 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 1.52 0.65 0.91 0.00 0.00 6 E 8.30 3.96 0.00 2.17 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 2.33 2.45 0.00 7 D 8.05 4.30 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.92 0.00 1.91 2.05 0.00 3.14 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 9 L 8.22 3.99 0.00 2.06 1.70 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.35 4.04 0.00 2.17 2.02 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 2.35 2.51 0.00 11 E 8.19 4.04 0.00 2.00 1.96 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 2.24 2.22 0.00 12 I 7.74 3.84 1.96 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 1.49 0.45 0.85 0.00 0.00 13 L 7.84 3.56 0.00 1.78 1.52 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.92 4.27 0.00 4.01 4.03 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 15 K 8.18 4.05 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.71 7.81 16 L 8.24 3.89 0.00 1.40 1.51 0.79 0.79 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 17 Y 7.89 4.45 0.00 3.10 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 18 H 8.00 4.40 0.00 3.36 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.03 3.75 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 0.92 0.00 0.00 20 C 8.48 4.13 0.00 3.22 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 21 N 8.33 4.30 0.00 2.91 2.90 0.00 0.00 6.73 7.17 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 22 E 8.27 3.92 0.00 2.17 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 0.00 2.32 2.41 0.00 23 L 8.16 3.92 0.00 1.74 1.72 0.93 0.87 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 24 A 8.31 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 3.89 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 26 I 8.44 3.67 2.06 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 1.41 0.91 0.91 0.00 0.00 27 R 8.29 3.91 0.00 1.91 2.10 0.00 3.10 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 28 R 7.77 3.90 0.00 2.39 1.99 0.00 3.43 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 29 L 8.11 4.12 0.00 1.96 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.09 4.10 0.00 1.69 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.93 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 32 E 7.78 4.51 0.00 2.07 1.98 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 2.28 2.43 0.00 33 R 7.52 4.22 0.00 1.99 1.82 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00