NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4900 8.1476 118.1938 54.8393 32.5843 176.3688 2 V 3.5267 8.4764 121.8628 63.1047 31.6381 174.2582 3 I 4.4997 7.7872 118.2541 57.9426 40.3397 175.3539 4 A 4.6230 8.3172 130.7087 50.7207 20.9545 177.6355 5 T 3.8880 8.5138 116.1501 67.0324 68.1803 176.3560 6 D 4.7030 7.8416 119.6271 54.9732 39.5511 177.4396 7 D 4.5303 8.2629 120.4305 56.0597 40.8371 177.3247 8 L 4.5484 7.7286 118.3323 54.8730 44.5384 176.2343 9 E 5.0262 8.6671 118.0207 54.3338 32.9956 175.5306 10 V 4.4936 8.9482 123.6906 60.5358 34.6202 174.6504 11 A 4.3177 8.5465 128.6433 52.0913 19.1800 176.7133 12 C 4.2430 8.7331 123.6541 58.8150 32.0564 172.7273 13 P 4.2992 0.0000 0.0000 65.5662 31.6247 177.7947 14 K 4.0597 8.2485 119.4070 59.0110 32.0926 177.0668 15 C 4.3991 8.0309 111.1696 57.1806 31.0839 172.5913 16 E 3.7458 8.7239 119.4254 57.8968 26.6094 175.2127 17 R 4.5726 8.2421 111.5529 56.9792 28.1975 177.6768 18 A 4.1554 7.7886 122.1359 52.6081 19.2344 179.6434 19 G 4.0584 8.5923 103.1021 45.4448 0.0000 172.7153 20 E 4.9711 7.6857 117.2142 54.4828 32.0033 175.1170 21 I 4.3173 8.1918 122.2128 60.4221 39.0110 175.5164 22 E 3.8903 9.9112 124.0374 57.5620 26.9803 174.5367 23 G 4.3259 7.7630 110.7585 46.3779 0.0000 175.6859 24 T 4.0987 7.6865 110.2990 59.8016 69.6351 171.9842 25 P 4.4908 0.0000 0.0000 62.9455 31.7699 175.5353 26 C 4.2484 8.9455 122.8623 58.7657 31.5855 172.5576 27 P 4.2230 0.0000 0.0000 65.5868 31.4505 178.4475 28 A 3.9963 8.2598 120.0734 55.0291 18.0414 177.8309 29 C 4.5071 8.0943 107.5868 57.1773 30.8187 173.3504 30 S 3.7739 8.5974 114.8746 59.8056 60.1328 172.3487 31 G 4.1003 8.1299 107.7404 45.5655 0.0000 174.1754 32 K 3.9623 7.5166 118.2659 57.9180 32.3964 178.5571 33 G 3.9648 9.6176 105.1213 45.2629 0.0000 172.3186 34 V 4.8466 7.2559 117.1606 61.5199 34.7280 173.1755 35 I 4.6151 9.0295 127.5718 59.4596 39.9648 174.9670 36 L 4.7586 8.4494 126.2654 54.4710 42.6855 176.7975 37 T 4.4123 8.6310 112.9651 60.7176 70.6588 175.4727 38 A 4.1130 8.9102 123.5501 55.7546 18.1706 179.7311 39 Q 4.0469 8.1729 117.3944 59.2291 29.2159 178.5430 40 G 3.5311 8.2014 106.8440 47.9363 0.0000 175.3893 41 Y 4.1071 8.3938 119.6636 61.0964 37.9352 178.1630 42 T 3.9395 8.3671 117.0848 67.0094 68.6425 176.0392 43 L 4.0104 7.9857 120.1706 58.0397 41.7190 179.6034 44 L 4.0042 8.0772 119.8522 58.3301 42.0788 178.7198 45 D 4.3977 8.8438 119.2398 57.2071 40.6962 178.4829 46 F 4.1912 8.3164 121.1291 61.4591 39.3746 177.2199 47 I 3.5750 7.9672 119.3097 64.6160 36.7225 178.5791 48 Q 3.9381 8.0919 117.6142 58.5337 28.5215 178.2944 49 K 4.0153 7.6601 120.1231 58.4479 32.3510 176.9846 50 H 4.6187 7.3735 113.1143 55.1311 30.7242 174.1949 51 L 3.8326 7.8538 122.2585 56.4246 42.1791 176.3907 52 N 4.1921 8.6752 123.8553 54.7120 36.3141 174.3033 53 K 4.1696 7.9887 120.8217 56.5893 32.6212 176.5926 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 8.15 4.49 0.00 2.21 2.26 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 2.53 0.00 2 V 8.48 3.53 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 0.67 0.00 0.00 0.92 0.00 0.00 3 I 7.79 4.50 1.86 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 1.17 1.60 0.90 0.00 0.00 4 A 8.32 4.62 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 5 T 8.51 3.89 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 6 D 7.84 4.70 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.53 0.00 3.02 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 4.55 0.00 1.66 1.62 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.67 5.03 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 10 V 8.95 4.49 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 0.96 0.00 0.00 0.94 0.00 0.00 11 A 8.55 4.32 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.73 4.24 0.00 3.12 2.86 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 0.00 0.00 0.00 13 P 0.00 4.30 0.00 2.22 2.17 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 K 8.25 4.06 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.43 7.81 15 C 8.03 4.40 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 3.75 0.00 2.14 2.03 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 2.25 2.26 0.00 17 R 8.24 4.57 0.00 1.98 2.08 0.00 3.24 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 18 A 7.79 4.16 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 19 G 8.59 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.69 4.97 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 21 I 8.19 4.32 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 1.30 1.26 0.91 0.00 0.00 22 E 9.91 3.89 0.00 2.12 2.05 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 2.21 2.29 0.00 23 G 7.76 4.33 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 0.00 24 T 7.69 4.10 4.24 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 1.21 0.00 0.00 25 P 0.00 4.49 0.00 2.20 2.11 0.00 3.77 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 1.99 1.96 0.00 26 C 8.95 4.25 0.00 2.97 2.93 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 0.00 0.00 0.00 0.00 27 P 0.00 4.22 0.00 2.22 2.08 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 28 A 8.26 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 4.51 0.00 3.29 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 30 S 8.60 3.77 0.00 4.04 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 31 G 8.13 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.52 3.96 0.00 1.96 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 33 G 9.62 3.96 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 0.00 0.00 0.00 34 V 7.26 4.85 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.02 0.00 0.00 35 I 9.03 4.62 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 1.26 0.87 0.97 0.00 0.00 36 L 8.45 4.76 0.00 0.63 0.99 0.25 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.63 4.41 4.27 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 1.23 0.00 0.00 38 A 8.91 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.05 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 40 G 8.20 3.53 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 0.00 0.00 0.00 41 Y 8.39 4.11 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 42 T 8.37 3.94 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 L 7.99 4.01 0.00 1.96 1.77 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.08 4.00 0.00 1.82 1.76 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.84 4.40 0.00 2.88 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 46 F 8.32 4.19 0.00 3.21 3.30 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 0.00 47 I 7.97 3.58 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.83 0.91 0.00 0.00 48 Q 8.09 3.94 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 49 K 7.66 4.02 0.00 1.90 1.66 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.18 1.36 7.81 50 H 7.37 4.62 0.00 2.56 3.06 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.85 3.83 0.00 1.67 1.56 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.68 4.19 0.00 2.85 2.84 0.00 0.00 6.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.99 4.17 0.00 1.83 1.64 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.45 7.81