NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4043 8.3044 120.3262 55.1138 33.4242 174.1592 2 E 4.0914 8.4317 122.0831 53.6870 30.5770 173.0581 3 P 4.1471 0.0000 0.0000 62.5441 31.9916 174.9705 4 N 4.1286 8.7922 122.0452 53.8648 38.8657 172.3014 5 P 4.6928 0.0000 0.0000 63.1459 31.4458 176.1038 6 N 4.8049 8.9332 114.9336 53.3069 39.1803 174.9576 7 R 4.4055 7.6571 115.3988 55.1022 30.8989 175.5279 8 Q 4.6845 8.2448 118.6419 53.2405 32.4538 173.1618 9 P 4.6081 0.0000 0.0000 62.1884 32.6266 175.4395 10 V 4.4320 7.9618 118.1499 61.1121 33.7010 174.4484 11 E 4.6294 8.3065 124.5317 54.5166 32.6950 174.9042 12 L 4.3423 8.1319 126.0801 52.5893 43.9434 175.8612 13 N 4.6313 8.4931 124.7342 52.0985 39.6658 175.7786 14 R 3.5679 8.2242 119.6856 59.8096 30.0951 178.2824 15 T 3.8999 7.7983 114.9807 66.8743 68.4235 176.5326 16 S 4.1565 9.5774 118.1117 61.2652 62.7752 176.3337 17 L 3.8965 7.6297 123.0260 58.4492 41.8192 178.5582 18 Y 4.4431 7.7366 116.3059 61.4390 37.7621 178.6024 19 L 4.2366 8.5789 120.2705 58.2267 41.7276 179.6033 20 G 3.6511 8.7226 105.9170 47.6312 0.0000 175.3629 21 L 4.0244 8.6200 121.9987 57.2353 41.8388 179.5030 22 L 3.9285 8.5199 120.2875 58.1268 41.8652 178.9495 23 L 3.9216 7.6708 120.0396 58.2225 42.1196 178.7397 24 I 3.6878 7.7626 119.6312 64.5152 37.0559 178.0269 25 L 3.9890 8.1227 119.5854 58.3471 41.5518 180.2137 26 V 3.6490 7.8426 111.8694 64.3990 31.4793 178.6293 27 L 4.1111 8.2690 118.6607 57.9238 41.4908 179.4261 28 A 4.0669 8.2085 120.6273 55.0782 18.0692 179.3831 29 L 4.0074 7.9202 117.9436 57.5642 42.1944 178.3206 30 L 4.1643 7.8739 119.7450 57.0713 42.5161 177.7472 31 F 4.5199 8.6682 117.1104 58.2303 39.4081 177.9922 32 S 3.6884 7.7076 114.6338 61.6146 62.5601 176.7158 33 S 4.1283 7.9955 118.0006 61.6386 62.3388 175.9924 34 Y 4.2999 7.7935 117.3362 60.2981 37.9150 177.5658 35 F 4.5853 8.1075 118.6968 60.6399 39.1503 177.4157 36 F 4.3440 8.6034 116.1782 58.7738 38.8466 175.1429 37 N 4.5339 8.0255 121.2428 53.9633 40.2998 173.3191 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 M 8.30 4.40 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 E 8.43 4.09 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 3 P 0.00 4.15 0.00 2.07 2.03 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 4 N 8.79 4.13 0.00 2.67 2.77 0.00 0.00 7.24 7.69 0.00 0.00 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 P 0.00 4.69 0.00 2.21 2.11 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 6 N 8.93 4.80 0.00 2.71 2.87 0.00 0.00 6.85 7.53 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 7 R 7.66 4.41 0.00 1.89 1.91 0.00 3.02 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 8 Q 8.24 4.68 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 9 P 0.00 4.61 0.00 2.17 2.04 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 10 V 7.96 4.43 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 0.81 0.00 0.00 0.92 0.00 0.00 11 E 8.31 4.63 0.00 1.88 1.72 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 2.16 2.26 0.00 12 L 8.13 4.34 0.00 1.54 1.47 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.49 4.63 0.00 2.99 2.92 0.00 0.00 5.82 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 14 R 8.22 3.57 0.00 1.74 1.81 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.30 0.00 15 T 7.80 3.90 4.34 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 1.24 0.00 0.00 16 S 9.58 4.16 0.00 3.85 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 17 L 7.63 3.90 0.00 1.65 1.58 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.74 4.44 0.00 3.21 2.87 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 19 L 8.58 4.24 0.00 1.81 1.77 0.95 0.88 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 20 G 8.72 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.62 4.02 0.00 1.88 1.81 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.52 3.93 0.00 1.72 1.84 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.67 3.92 0.00 1.77 1.93 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.76 3.69 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 1.54 0.44 0.93 0.00 0.00 25 L 8.12 3.99 0.00 1.78 1.74 0.94 1.20 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 26 V 7.84 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.06 0.00 0.00 27 L 8.27 4.11 0.00 1.96 1.80 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.21 4.07 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.92 4.01 0.00 1.64 1.87 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.87 4.16 0.00 1.73 1.94 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.67 4.52 0.00 2.75 2.40 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 32 S 7.71 3.69 0.00 4.15 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 4.13 0.00 3.43 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.79 4.30 0.00 3.30 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 35 F 8.11 4.59 0.00 2.84 2.88 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 0.00 0.00 0.00 36 F 8.60 4.34 0.00 3.07 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 37 N 8.03 4.53 0.00 3.12 2.95 0.00 0.00 7.03 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