NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6092 8.2893 118.1963 55.2750 33.3435 175.2701 2 K 4.4372 7.8702 114.4830 56.6331 38.8206 173.4971 3 P 4.4174 0.0000 0.0000 62.4437 32.8529 178.1643 4 S 4.3525 8.5251 114.5469 60.5639 62.8259 175.0126 5 E 4.7644 7.5112 117.7135 56.5834 29.5540 177.0005 6 M 4.7202 8.1375 118.1236 58.0299 36.2070 176.4687 7 R 4.2238 7.9867 111.6638 57.0550 30.0546 176.6604 8 N 4.4116 7.9608 117.1664 55.9349 39.3694 175.1982 9 L 4.2282 7.2027 116.8398 54.6311 43.3289 178.4113 10 Q 4.2701 8.3994 122.2756 56.4212 29.6150 176.5429 11 A 5.0653 8.4047 115.0459 52.3982 19.7302 177.2283 12 T 4.5224 7.9366 109.9604 64.2370 71.4279 174.9258 13 D 4.6189 8.0416 121.4885 55.5396 41.5778 178.5780 14 F 4.1925 7.8718 120.3424 61.0797 39.3716 176.8465 15 A 4.1134 8.1667 119.4275 54.1089 17.9181 179.1655 16 K 4.3230 7.6115 120.0029 58.9386 32.1814 178.6958 17 E 3.7301 7.7961 117.7385 58.8429 28.5965 179.1403 18 I 3.5653 7.3770 120.0326 64.0555 37.3451 177.1075 19 D 4.6327 7.7248 117.6491 53.2879 39.7861 177.5890 20 A 4.2875 7.8145 124.1476 54.2426 19.6921 179.9436 21 R 4.1364 7.6957 115.5712 58.3482 30.3785 179.0452 22 K 3.9925 7.2820 114.9402 59.1405 31.8206 179.1266 23 K 4.0955 7.9020 118.7017 59.6072 32.4383 178.8216 24 E 3.8672 7.7355 119.7871 59.0092 29.5944 178.5189 25 L 3.9416 8.0386 120.1051 57.8146 42.1372 178.5452 26 M 3.7773 7.4734 118.2959 58.3075 32.2630 177.0657 27 E 3.7665 7.4686 114.9887 56.4672 29.7283 176.8110 28 L 5.3163 7.2789 119.0754 54.8109 43.1427 179.0735 29 R 3.9399 7.3210 117.5439 58.8849 30.2312 178.8482 30 F 4.5268 7.9767 115.2636 60.1783 39.1017 175.8935 31 Q 4.3425 7.8201 117.7839 56.2862 29.1015 177.2833 32 A 4.0559 8.2672 121.0991 53.6185 19.0412 178.0828 33 A 4.7005 8.0566 116.2894 51.8828 19.2705 176.8253 34 A 4.5807 7.7362 119.3841 52.0401 20.5882 177.4245 35 G 3.8515 8.4740 102.9518 46.8172 0.0000 174.1142 36 Q 4.4371 8.3237 116.6768 54.8808 30.0729 175.5172 37 L 4.3676 7.8481 120.6459 53.9196 42.2567 175.4283 38 A 4.8056 8.4822 128.8232 51.9512 20.2346 176.2768 39 Q 4.4477 7.6577 116.8243 54.6111 29.2918 174.0755 40 P 4.4587 0.0000 0.0000 65.4233 32.3065 178.2353 41 H 4.5536 8.0151 112.3056 57.0315 28.9816 176.6655 42 R 4.1947 8.2031 119.9410 57.9885 30.1249 177.0439 43 V 4.1188 7.2922 115.7989 65.1095 32.4636 177.6042 44 R 3.8907 7.7899 117.1925 59.4907 29.8470 178.7369 45 Q 3.9489 7.6949 117.3367 58.8597 29.3197 177.5352 46 L 4.0469 7.8792 120.9486 58.4898 42.3874 179.1418 47 R 3.9565 8.1044 117.7058 59.1537 29.3703 179.0884 48 R 4.0238 7.7558 118.5101 59.0599 30.0654 178.1505 49 E 4.2609 8.1579 118.4424 58.7365 28.0471 179.0816 50 V 3.5590 7.4379 117.3569 65.6644 31.4218 177.5872 51 A 4.1287 7.5853 120.2537 53.7887 18.0479 177.8166 52 Q 4.6168 7.5323 115.9543 56.3259 29.2754 176.4563 53 L 4.4609 7.8365 116.9938 55.9970 43.5766 178.8711 54 N 4.5953 7.6406 114.3999 55.5305 38.1135 177.0688 55 T 4.4294 7.7278 116.2294 65.3629 69.3906 176.8739 56 V 4.8022 8.0456 121.4892 65.6440 31.9655 178.1195 57 K 3.8543 8.3445 118.1051 59.9141 31.8379 178.7872 58 A 4.0888 7.6766 122.2253 54.7227 18.1154 179.0461 59 E 4.1850 8.2777 116.7381 58.3182 29.3659 178.0235 60 L 4.4641 7.3806 117.3306 54.7124 41.5372 176.9101 61 A 4.7198 7.5881 118.8628 51.8952 20.1577 177.6498 62 R 4.5283 7.7460 113.7847 56.6924 32.8615 177.6724 63 K 4.1653 7.9627 116.0748 57.8201 32.3265 177.8367 64 G 4.1907 7.9396 106.4138 44.8163 0.0000 172.9670 65 E 4.4577 7.9317 118.8283 55.2712 34.1128 174.9630 66 Q 3.8678 7.9879 121.3319 56.4170 29.5014 173.1994 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 8.29 4.61 0.00 2.14 2.44 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 2.46 2.49 0.00 2 K 7.87 4.44 0.00 1.93 1.91 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.53 7.81 3 P 0.00 4.42 0.00 2.21 2.05 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 4 S 8.53 4.35 0.00 3.88 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 5 E 7.51 4.76 0.00 2.21 2.04 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 2.29 2.25 0.00 6 M 8.14 4.72 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 7 R 7.99 4.22 0.00 1.88 2.04 0.00 3.17 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 8 N 7.96 4.41 0.00 2.85 2.88 0.00 0.00 7.08 7.78 0.00 0.00 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 L 7.20 4.23 0.00 1.85 1.70 1.01 0.93 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 10 Q 8.40 4.27 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.07 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 11 A 8.40 5.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 4.52 4.26 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 1.23 0.00 0.00 13 D 8.04 4.62 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.87 4.19 0.00 3.11 3.17 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 15 A 8.17 4.11 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 16 K 7.61 4.32 0.00 1.80 2.01 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.33 7.81 17 E 7.80 3.73 0.00 1.85 1.87 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 2.36 2.40 0.00 18 I 7.38 3.57 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.92 0.00 0.00 19 D 7.72 4.63 0.00 2.63 2.84 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 0.00 0.00 0.00 20 A 7.81 4.29 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.14 0.00 1.86 1.93 0.00 3.14 0.00 0.00 3.41 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 22 K 7.28 3.99 0.00 1.72 1.84 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 23 K 7.90 4.10 0.00 1.94 2.03 0.00 1.48 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.48 7.81 24 E 7.74 3.87 0.00 2.23 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 0.00 2.26 2.27 0.00 25 L 8.04 3.94 0.00 1.89 1.77 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.47 3.78 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.08 0.00 27 E 7.47 3.77 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 28 L 7.28 5.32 0.00 1.84 1.64 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.32 3.94 0.00 2.02 2.03 0.00 3.13 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 30 F 7.98 4.53 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.34 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 32 A 8.27 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.70 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 4.58 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 35 G 8.47 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.32 4.44 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 37 L 7.85 4.37 0.00 1.63 1.59 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.48 4.81 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 39 Q 7.66 4.45 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 40 P 0.00 4.46 0.00 2.17 2.11 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 41 H 8.02 4.55 0.00 3.28 3.54 0.00 5.47 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.20 4.19 0.00 1.74 2.04 0.00 3.30 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 43 V 7.29 4.12 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 1.00 0.00 0.00 0.91 0.00 0.00 44 R 7.79 3.89 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 45 Q 7.69 3.95 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 46 L 7.88 4.05 0.00 1.90 1.62 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.10 3.96 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 48 R 7.76 4.02 0.00 1.88 2.08 0.00 3.23 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 49 E 8.16 4.26 0.00 2.21 1.94 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 2.30 2.45 0.00 50 V 7.44 3.56 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.89 0.00 0.00 51 A 7.59 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.53 4.62 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 53 L 7.84 4.46 0.00 1.56 1.19 0.61 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.64 4.60 0.00 2.83 2.87 0.00 0.00 7.10 6.93 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 55 T 7.73 4.43 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 V 8.05 4.80 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 1.19 0.00 0.00 1.09 0.00 0.00 57 K 8.34 3.85 0.00 2.05 2.42 0.00 1.53 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.85 1.58 7.81 58 A 7.68 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.28 4.18 0.00 2.14 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 2.65 0.00 60 L 7.38 4.46 0.00 1.68 1.61 0.66 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.59 4.72 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.53 0.00 1.83 1.91 0.00 3.12 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 63 K 7.96 4.17 0.00 1.75 1.85 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.51 7.81 64 G 7.94 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.93 4.46 0.00 1.85 2.01 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 2.18 2.38 0.00 66 Q 7.99 3.87 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00