NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3580 8.3044 120.3481 55.8991 33.3408 175.0282 2 E 4.2238 8.5153 113.4144 55.3557 29.2381 171.0318 3 V 4.0597 7.3891 112.8959 60.0562 34.7483 175.0435 4 N 4.5913 8.3529 118.7221 53.4622 39.4203 176.0288 5 Q 4.0157 8.6982 124.4429 58.9341 29.1934 177.4410 6 L 4.2710 8.2678 116.4608 55.6735 42.5318 178.8668 7 G 3.7863 7.7899 106.6209 47.8445 0.0000 175.2472 8 L 3.9381 7.8735 122.2835 58.0514 42.2237 178.8888 9 I 3.7008 7.7595 117.6105 63.7711 37.9343 177.5353 10 A 4.0652 8.4746 122.4682 55.4119 18.2911 179.7859 11 T 3.8975 8.1942 114.1565 66.4026 68.5458 177.0063 12 A 4.0112 8.3426 123.0522 55.4243 18.4141 179.8617 13 L 4.2781 8.1188 117.1392 57.5881 41.4045 179.5333 14 F 4.0134 8.0144 119.8861 60.4917 39.4143 176.9483 15 V 3.9874 7.6984 117.3540 65.8395 31.6619 177.3561 16 L 3.9933 8.4882 119.0039 57.7109 41.4173 179.4308 17 V 3.5719 7.8606 117.5945 66.2441 31.6638 176.8241 18 P 4.3324 0.0000 0.0000 65.7585 31.2277 178.5863 19 S 4.1442 7.8972 115.3373 61.5169 62.7655 176.6453 20 V 3.6041 8.5825 121.4131 66.3075 31.2368 177.1954 21 F 4.2437 8.3066 120.5665 60.7760 39.0769 176.6168 22 L 3.5832 8.4706 118.0464 58.2243 41.7702 179.6773 23 I 3.7142 7.9134 119.2113 64.7777 37.1317 178.3907 24 I 3.7038 7.8325 120.2309 64.6072 36.9289 178.2074 25 L 3.8248 7.5848 119.2612 57.4663 41.4528 178.4966 26 Y 4.0872 8.2286 119.3966 61.1830 38.8278 179.0474 27 V 3.4213 7.9802 118.9339 65.8933 31.4245 177.9492 28 Q 4.0206 7.6991 116.1982 59.4957 28.6508 177.9994 29 T 3.8994 8.3208 118.9495 65.7916 68.2922 176.1553 30 E 3.3633 8.0017 123.1339 59.0903 29.8530 178.3311 31 S 4.5433 7.5937 110.5710 57.8839 63.2819 173.7150 32 Q 4.0754 8.4311 121.9975 55.4459 28.8009 175.9330 33 Q 3.8986 8.7782 124.1842 56.3974 29.6795 176.3771 34 K 4.1539 8.5435 120.8585 56.9224 33.2345 174.1680 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 4.36 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 E 8.52 4.22 0.00 2.02 1.88 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 2.23 2.45 0.00 3 V 7.39 4.06 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 0.72 0.00 0.00 0.92 0.00 0.00 4 N 8.35 4.59 0.00 2.71 2.66 0.00 0.00 6.92 6.87 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 5 Q 8.70 4.02 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 6 L 8.27 4.27 0.00 1.74 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.79 3.79 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 0.00 0.00 0.00 8 L 7.87 3.94 0.00 1.77 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.76 3.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.20 1.00 0.00 0.00 10 A 8.47 4.07 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 11 T 8.19 3.90 4.38 0.00 0.00 0.00 0.00 0.00 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 12 A 8.34 4.01 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 13 L 8.12 4.28 0.00 1.77 1.76 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.01 4.01 0.00 3.26 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.99 2.27 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 1.03 0.00 0.00 1.12 0.00 0.00 16 L 8.49 3.99 0.00 1.76 1.67 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.86 3.57 2.18 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 0.98 0.00 0.00 0.92 0.00 0.00 18 P 0.00 4.33 0.00 2.23 2.12 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.76 0.00 19 S 7.90 4.14 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 3.60 2.37 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 1.04 0.00 0.00 0.95 0.00 0.00 21 F 8.31 4.24 0.00 3.11 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 22 L 8.47 3.58 0.00 1.86 1.69 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.91 3.71 2.02 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 1.51 1.14 0.95 0.00 0.00 24 I 7.83 3.70 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.88 0.00 0.00 25 L 7.58 3.82 0.00 1.67 1.53 0.51 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.23 4.09 0.00 3.02 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.42 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 0.96 0.00 0.00 1.03 0.00 0.00 28 Q 7.70 4.02 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.62 0.00 29 T 8.32 3.90 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 1.12 0.00 0.00 30 E 8.00 3.36 0.00 1.16 1.78 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 2.06 2.17 0.00 31 S 7.59 4.54 0.00 3.99 3.86 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 32 Q 8.43 4.08 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 33 Q 8.78 3.90 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.02 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 34 K 8.54 4.15 0.00 1.79 1.67 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.46 7.81