NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6407 8.3044 120.6140 55.4402 33.6072 174.9333 2 K 4.1661 9.0386 127.7587 55.4121 33.0196 169.9014 3 V 4.1291 8.3702 112.6149 59.5854 35.4410 176.5226 4 R 3.7171 7.6438 121.3129 56.4145 29.4794 176.1213 5 A 4.5772 8.3347 118.8498 52.6488 20.1053 177.7950 6 S 4.6242 7.4592 110.8275 55.4669 62.7739 173.4952 7 V 3.3173 7.5301 120.6085 62.4414 31.7688 174.5686 8 K 3.6668 7.9044 128.6073 54.1548 33.0462 176.7867 9 K 4.3422 8.1741 121.9075 57.1884 33.4258 174.3189 10 L 4.4687 7.8524 118.6194 55.4522 49.4660 177.6328 11 C 4.5240 8.0759 117.9014 57.0813 32.2893 174.8793 12 R 4.1924 8.4371 114.2832 57.7218 29.2304 176.5472 13 N 4.7907 8.0067 115.7484 53.3195 39.0474 173.4986 14 C 4.9621 7.8014 117.3074 58.8361 29.1278 173.2442 15 K 4.0872 8.9591 126.4513 58.1915 32.8385 175.5391 16 I 3.2353 7.6004 115.4899 62.4751 32.6675 173.0867 17 V 3.8339 7.2613 121.6142 62.0327 32.7595 174.8452 18 K 4.7099 8.4016 126.8325 54.7384 32.4368 174.8416 19 R 4.5865 8.0699 124.0271 55.0361 32.9791 176.3384 20 D 4.5923 9.2115 121.5414 54.8826 39.4137 174.3036 21 G 4.1189 8.5868 113.3536 45.6896 0.0000 173.2111 22 V 3.8565 7.7157 114.6949 60.8519 31.8770 176.9547 23 I 4.2429 8.0800 129.0628 60.8090 34.9279 175.0045 24 R 4.2599 7.9171 122.2540 56.0294 32.2785 176.6547 25 V 4.5717 8.1670 118.4448 61.4319 34.9592 173.9789 26 I 4.6890 8.4096 127.0740 59.5972 41.1925 173.9143 27 C 5.8208 8.6845 125.0061 56.3997 34.2672 174.2269 28 S 4.4215 9.0404 119.2418 59.0319 62.2644 173.8317 29 A 4.4869 7.1899 121.8896 52.5386 21.3295 176.3238 30 E 4.6557 7.3100 111.5428 53.4292 32.4553 176.0482 31 P 4.3013 0.0000 0.0000 65.3458 31.6540 178.4087 32 K 4.1711 7.3439 116.7958 58.5191 31.9243 177.2979 33 H 4.5961 7.8221 115.0315 56.9432 29.3087 176.0843 34 K 4.4422 8.1214 119.5674 56.4992 29.7692 176.2919 35 Q 4.9209 7.7309 122.4080 54.3766 32.1806 175.4503 36 R 4.0074 8.0412 120.0170 56.9121 34.3478 176.2613 37 Q 3.1196 8.8390 110.6179 56.5837 27.5401 174.6172 38 G 4.0686 7.9177 112.2875 45.3678 0.0000 173.5306 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 4.64 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 2 K 9.04 4.17 0.00 1.87 1.65 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.52 7.81 3 V 8.37 4.13 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 4 R 7.64 3.72 0.00 1.92 1.91 0.00 3.18 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 A 8.33 4.58 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.46 4.62 0.00 3.81 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 7 V 7.53 3.32 2.34 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 0.74 0.00 0.00 0.93 0.00 0.00 8 K 7.90 3.67 0.00 1.87 1.79 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.17 4.34 0.00 1.87 1.85 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.52 7.81 10 L 7.85 4.47 0.00 1.44 1.17 0.70 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.08 4.52 0.00 3.14 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 12 R 8.44 4.19 0.00 1.95 2.09 0.00 3.01 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 13 N 8.01 4.79 0.00 2.79 2.86 0.00 0.00 7.07 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 C 7.80 4.96 0.00 3.06 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 15 K 8.96 4.09 0.00 1.68 1.82 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.44 7.81 16 I 7.60 3.24 1.87 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 1.28 1.27 0.91 0.00 0.00 17 V 7.26 3.83 2.08 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 0.96 0.00 0.00 0.93 0.00 0.00 18 K 8.40 4.71 0.00 1.71 1.70 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.41 7.81 19 R 8.07 4.59 0.00 2.01 1.80 0.00 3.33 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 20 D 9.21 4.59 0.00 2.82 2.53 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 21 G 8.59 4.12 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 0.00 22 V 7.72 3.86 2.08 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 0.78 0.00 0.00 0.97 0.00 0.00 23 I 8.08 4.24 1.87 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 1.41 1.15 0.91 0.00 0.00 24 R 7.92 4.26 0.00 1.94 1.88 0.00 3.15 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 25 V 8.17 4.57 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 1.10 0.00 0.00 0.99 0.00 0.00 26 I 8.41 4.69 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 1.23 0.88 0.91 0.00 0.00 27 C 8.68 5.82 0.00 3.02 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 28 S 9.04 4.42 0.00 4.01 3.95 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 0.00 0.00 0.00 29 A 7.19 4.49 1.21 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 0.00 0.00 30 E 7.31 4.66 0.00 1.51 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 31 P 0.00 4.30 0.00 2.16 2.08 0.00 3.57 0.00 0.00 3.72 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 32 K 7.34 4.17 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.58 7.81 33 H 7.82 4.60 0.00 3.25 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.12 4.44 0.00 1.95 1.79 0.00 1.65 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.39 7.81 35 Q 7.73 4.92 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 36 R 8.04 4.01 0.00 1.85 1.60 0.00 3.33 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 37 Q 8.84 3.12 0.00 2.13 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 38 G 7.92 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00