NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4451 8.2544 117.2893 55.7944 31.9947 176.2845 2 S 4.5029 8.1288 114.4715 55.0891 61.7040 175.9216 3 C 4.5742 9.8385 112.6134 57.5544 37.2511 172.5567 4 C 4.0519 7.8522 122.3999 55.5631 38.7874 172.0667 5 P 3.9851 0.0000 0.0000 62.0616 31.1147 175.3096 6 C 4.9338 7.5957 112.4264 57.6743 41.8328 174.3407 7 Y 4.2347 6.2902 120.4423 58.3426 38.1251 177.0259 8 W 5.1191 7.9600 128.6618 56.0315 30.5109 175.5874 9 G 3.9712 8.0529 106.1159 45.8637 0.0000 172.7236 10 G 4.2233 7.5304 108.3446 44.9386 0.0000 171.2638 11 C 3.2741 6.6225 114.9958 52.5586 43.9429 171.8373 12 P 4.1874 0.0000 0.0000 65.6144 31.2193 178.8638 13 W 4.6516 7.6119 116.4908 55.5248 28.3467 175.8468 14 G 4.3714 6.4086 107.3094 46.9911 0.0000 173.2284 15 Q 4.4026 7.7121 119.3707 55.7578 30.6347 176.4685 16 N 5.5584 8.3829 114.9023 53.0667 38.1630 175.8282 17 C 4.4742 7.7990 115.8649 57.9855 43.1224 173.6059 18 Y 4.7598 7.5075 116.9198 56.1527 38.0647 174.5508 19 P 4.3293 0.0000 0.0000 65.1208 32.8797 177.2952 20 E 4.6463 7.9925 116.6812 53.8974 30.0666 176.8706 21 G 4.5400 7.4278 110.8980 45.7217 0.0000 174.1927 22 C 4.3208 8.8551 124.0847 58.7225 40.5467 175.0393 23 S 4.7306 7.7490 110.6673 58.0245 64.9450 176.6165 24 G 4.0816 7.9574 108.0695 44.7896 0.0000 170.9222 25 P 4.4880 0.0000 0.0000 61.8509 32.9176 175.1763 26 K 3.7303 8.0540 117.7545 59.8853 32.5692 177.6015 27 V 4.2904 7.1584 122.2997 62.4581 31.4556 175.9897 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 R 8.25 4.45 0.00 2.00 2.04 0.00 3.08 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 2 S 8.13 4.50 0.00 3.97 3.23 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 3 C 9.84 4.57 0.00 3.25 3.40 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 4 C 7.85 4.05 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 3.99 0.00 1.81 2.19 0.00 3.53 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 6 C 7.60 4.93 0.00 3.01 3.34 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 0.00 7 Y 6.29 4.23 0.00 3.18 3.28 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 8 W 7.96 5.12 0.00 3.53 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 9 G 8.05 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 0.00 0.00 0.00 10 G 7.53 4.22 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 0.00 0.00 0.00 11 C 6.62 3.27 0.00 1.23 1.18 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 0.00 0.00 0.00 0.00 12 P 0.00 4.19 0.00 2.33 2.38 0.00 2.20 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 13 W 7.61 4.65 0.00 3.51 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.41 4.37 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 0.00 15 Q 7.71 4.40 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.53 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 16 N 8.38 5.56 0.00 2.61 2.69 0.00 0.00 7.36 7.67 0.00 0.00 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 C 7.80 4.47 0.00 3.19 3.07 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 18 Y 7.51 4.76 0.00 2.85 2.92 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 19 P 0.00 4.33 0.00 2.17 2.16 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 20 E 7.99 4.65 0.00 1.90 1.90 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 2.20 2.26 0.00 21 G 7.43 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.86 4.32 0.00 3.03 3.19 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 23 S 7.75 4.73 0.00 3.68 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.49 0.00 2.09 2.05 0.00 3.65 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 26 K 8.05 3.73 0.00 1.71 1.73 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.43 7.81 27 V 7.16 4.29 1.96 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 0.94 0.00 0.00 0.84 0.00 0.00