NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.4964 8.1600 109.1379 45.1572 0.0000 174.4453 2 I 3.1108 8.0134 120.2749 62.8047 37.6713 172.8335 3 V 3.5531 8.4534 120.0297 66.2477 30.8509 177.2381 4 E 3.9704 8.0714 117.4763 59.5874 29.0914 179.3503 5 Q 4.2552 8.1071 117.7017 58.3930 28.7176 176.9900 6 C 4.9480 8.6135 115.8574 56.3361 41.1438 174.1468 7 C 4.2214 7.9785 117.6969 61.0621 29.0350 175.6259 8 T 4.0623 7.4713 116.8140 65.8202 68.2827 174.6862 9 S 4.7968 7.3752 114.0848 55.9131 66.1557 172.8984 10 I 4.0327 8.1301 121.9379 61.0969 37.4338 176.7533 11 C 4.7520 8.5895 123.3608 56.2835 36.5987 174.4754 12 S 4.5226 9.0174 119.6473 57.6176 65.3959 175.3623 13 L 4.0741 8.3743 120.5652 57.8872 41.0313 178.9516 14 Y 4.2516 7.9927 118.4136 60.9056 39.0135 177.6490 15 Q 3.9575 7.9871 118.4026 59.0544 28.8095 178.9799 16 L 4.2108 7.9695 119.8047 57.7004 41.5706 178.9340 17 E 4.0502 8.2706 119.3886 59.3345 29.1440 178.3435 18 N 4.0094 7.5625 116.0807 56.1152 38.8683 174.7571 19 Y 4.4486 7.7896 115.6673 57.8435 38.3011 175.4675 20 C 4.4912 7.8221 118.3857 59.0479 29.1166 173.5473 21 N 4.5351 8.5500 117.6962 53.7991 38.1494 175.3633 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 G 8.16 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.01 3.11 0.65 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.64 0.00 0.00 3 V 8.45 3.55 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 0.98 0.00 0.00 0.86 0.00 0.00 4 E 8.07 3.97 0.00 2.23 1.98 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 2.40 2.45 0.00 5 Q 8.11 4.26 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 6 C 8.61 4.95 0.00 2.92 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 7 C 7.98 4.22 0.00 3.19 2.95 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 8 T 7.47 4.06 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 1.21 0.00 0.00 9 S 7.38 4.80 0.00 3.90 3.93 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 10 I 8.13 4.03 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 1.42 0.81 0.92 0.00 0.00 11 C 8.59 4.75 0.00 2.98 3.05 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 0.00 0.00 0.00 12 S 9.02 4.52 0.00 4.11 4.09 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 0.00 0.00 0.00 0.00 13 L 8.37 4.07 0.00 1.77 1.81 0.95 0.71 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 Y 7.99 4.25 0.00 2.87 3.04 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 0.00 0.00 0.00 15 Q 7.99 3.96 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 16 L 7.97 4.21 0.00 1.90 1.77 0.94 0.87 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 17 E 8.27 4.05 0.00 2.18 2.15 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 2.33 2.54 0.00 18 N 7.56 4.01 0.00 2.32 2.48 0.00 0.00 7.16 8.87 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 19 Y 7.79 4.45 0.00 2.95 2.97 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 C 7.82 4.49 0.00 2.96 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 21 N 8.55 4.54 0.00 2.72 2.74 0.00 0.00 6.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00