NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8455 8.4549 115.4364 56.0709 38.5766 173.2941 2 S 3.9961 7.9580 120.9530 55.1205 69.2599 175.0400 3 Q 3.6120 10.6255 124.6756 59.0732 27.6011 172.3320 4 N 4.2758 7.7728 106.6261 55.2225 37.4215 174.0315 5 E 5.4321 7.3229 118.8620 56.6913 32.5978 174.9357 6 Y 4.7274 7.9303 116.5370 57.2889 41.8617 173.7203 7 F 4.9628 9.0078 124.4068 57.0992 40.3059 174.6689 8 D 4.5359 8.2402 128.4066 53.7545 41.1887 177.3743 9 S 3.9680 8.6754 122.8919 60.7247 63.3762 175.5768 10 L 4.0497 8.3922 122.5652 57.1235 41.8655 177.3532 11 L 4.2854 7.8156 115.1699 53.9419 42.7237 175.5324 12 H 3.6426 8.0024 115.0191 56.0723 26.7150 173.1474 13 A 4.8459 6.7463 118.4191 51.3273 23.5274 176.2638 14 C 5.1834 8.6798 115.9779 55.7330 35.9851 174.0434 15 I 4.5538 7.9938 124.5411 58.3038 40.7119 173.4578 16 P 4.3908 0.0000 0.0000 63.1894 31.7654 177.8011 17 C 4.0144 8.7440 122.2013 60.5998 39.8270 176.1110 18 Q 3.9230 7.8528 117.4536 59.4169 28.3818 179.1305 19 L 4.0848 7.6873 118.9582 58.2931 42.1386 179.9536 20 R 4.0262 8.0809 117.1231 59.6275 29.9937 179.6742 21 C 3.9768 7.9072 115.0281 58.9608 40.3308 175.6592 22 S 3.8160 8.1689 111.7699 61.7784 61.9470 175.2535 23 S 4.5590 8.2193 115.3295 58.2295 66.7780 174.9919 24 N 4.5444 8.0189 114.1164 54.0780 36.9240 175.0556 25 T 3.5622 7.3135 114.2199 62.0000 66.0829 171.8375 26 P 4.3177 0.0000 0.0000 61.6406 29.9529 173.9691 27 P 4.0699 0.0000 0.0000 62.3520 30.6098 176.1347 28 L 3.9865 8.3600 123.7094 56.9701 42.4867 177.0338 29 T 3.7007 8.7855 118.9007 64.6567 65.7877 173.4211 30 C 4.8389 7.7947 118.1433 57.2931 41.3855 175.7835 31 Q 3.4776 7.3316 113.2040 58.5881 28.0556 180.2142 32 R 3.8355 7.7823 118.9065 59.7143 30.8267 177.8078 33 Y 3.8734 7.9170 119.2753 61.2028 38.8744 177.7701 34 C 4.6199 8.7764 117.3892 59.9217 34.8329 175.5597 35 N 4.2600 8.4849 117.6831 55.0763 38.0135 176.3169 36 A 4.3421 7.9294 121.4405 52.6007 18.7365 177.8845 37 S 4.7166 7.5632 110.9332 58.0744 63.5943 175.9019 38 V 4.5202 7.3577 112.4240 61.0254 33.1182 174.4168 39 T 4.1768 7.7013 121.6763 63.7462 68.8931 174.8064 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 C 8.45 4.85 0.00 3.09 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 2 S 7.96 4.00 0.00 3.95 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 3 Q 10.63 3.61 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 4 N 7.77 4.28 0.00 2.95 2.66 0.00 0.00 6.83 7.66 0.00 0.00 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 E 7.32 5.43 0.00 1.94 1.95 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 2.19 2.51 0.00 6 Y 7.93 4.73 0.00 3.06 2.96 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 7 F 9.01 4.96 0.00 2.98 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 8 D 8.24 4.54 0.00 2.23 2.17 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 9 S 8.68 3.97 0.00 3.89 3.92 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 10 L 8.39 4.05 0.00 1.53 1.83 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.82 4.29 0.00 1.49 1.57 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.00 3.64 0.00 3.23 3.43 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 6.75 4.85 1.15 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 0.00 0.00 14 C 8.68 5.18 0.00 2.86 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 15 I 7.99 4.55 0.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.08 0.94 0.00 0.00 16 P 0.00 4.39 0.00 2.15 1.94 0.00 3.61 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 2.09 2.08 0.00 17 C 8.74 4.01 0.00 2.60 3.05 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 0.00 18 Q 7.85 3.92 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.69 2.29 0.00 19 L 7.69 4.08 0.00 1.71 1.82 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.08 4.03 0.00 1.77 1.79 0.00 3.27 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.00 21 C 7.91 3.98 0.00 3.23 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 22 S 8.17 3.82 0.00 4.07 3.72 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 23 S 8.22 4.56 0.00 3.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.54 0.00 2.89 2.99 0.00 0.00 7.01 7.54 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 25 T 7.31 3.56 4.21 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 1.18 0.00 0.00 26 P 0.00 4.32 0.00 2.02 2.03 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 27 P 0.00 4.07 0.00 1.84 1.70 0.00 3.48 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.01 0.00 28 L 8.36 3.99 0.00 1.71 1.55 0.93 0.87 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 29 T 8.79 3.70 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 1.26 0.00 0.00 30 C 7.79 4.84 0.00 3.22 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 31 Q 7.33 3.48 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 32 R 7.78 3.84 0.00 1.97 2.01 0.00 3.21 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 33 Y 7.92 3.87 0.00 3.09 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 C 8.78 4.62 0.00 3.13 3.16 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 35 N 8.48 4.26 0.00 2.90 2.84 0.00 0.00 6.76 8.57 0.00 0.00 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 7.93 4.34 0.98 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 0.00 0.00 37 S 7.56 4.72 0.00 4.09 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.36 4.52 2.07 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 0.60 0.00 0.00 1.00 0.00 0.00 39 T 7.70 4.18 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 1.18 0.00 0.00