NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9917 8.2127 109.7453 45.0985 0.0000 174.3314 2 I 3.1193 8.0589 117.9206 63.1661 37.6902 172.5209 3 V 3.5724 8.4063 119.9480 65.8378 31.5825 177.3163 4 E 3.9616 7.9631 117.1449 59.6363 29.5518 178.9244 5 Q 4.2578 8.1915 116.6249 57.8706 28.8750 176.2993 6 C 5.2332 7.9018 113.5588 55.9274 41.3494 174.0166 7 C 4.4987 7.9665 115.9430 59.9055 28.2187 174.1979 8 T 4.4099 7.9216 115.8198 63.9501 70.6875 174.1285 9 S 4.7812 7.6577 114.7564 56.0115 64.4258 172.8888 10 I 3.9693 8.2037 127.9439 61.3741 37.5721 176.1084 11 C 4.8825 8.5468 122.7978 55.7381 41.9828 174.4811 12 S 4.5412 9.3264 119.9394 57.7004 65.1171 175.5053 13 L 3.9768 8.2978 121.7322 57.9617 41.0175 179.0533 14 Y 4.4554 7.8291 115.4681 61.7673 38.0313 178.7095 15 Q 4.2187 7.9039 117.4303 58.9033 28.8211 178.7208 16 L 4.3157 8.1544 120.0718 57.4948 41.6806 178.8171 17 E 4.0700 8.2552 118.8287 58.6719 29.2681 178.2924 18 N 4.3581 7.7549 115.5448 55.6834 38.5087 175.0780 19 Y 4.5622 7.4482 116.4789 57.9004 38.2100 175.4542 20 C 4.5137 7.7015 118.1561 59.0278 29.2031 173.5765 21 N 4.5471 8.5797 118.1622 53.7727 38.1763 175.3020 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 8.21 3.99 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 0.00 0.00 0.00 2 I 8.06 3.12 0.81 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.70 0.66 0.00 0.00 3 V 8.41 3.57 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 7.96 3.96 0.00 2.16 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 2.32 2.46 0.00 5 Q 8.19 4.26 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.74 2.72 0.00 6 C 7.90 5.23 0.00 2.97 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 7 C 7.97 4.50 0.00 3.15 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 8 T 7.92 4.41 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 9 S 7.66 4.78 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.97 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 1.42 0.66 0.92 0.00 0.00 11 C 8.55 4.88 0.00 2.99 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 12 S 9.33 4.54 0.00 4.10 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 8.30 3.98 0.00 1.44 1.63 0.79 0.74 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 14 Y 7.83 4.46 0.00 3.03 2.96 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 15 Q 7.90 4.22 0.00 2.48 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 16 L 8.15 4.32 0.00 1.92 1.80 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.26 4.07 0.00 2.29 2.11 0.00 0.00 0.00 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 2.38 0.00 18 N 7.75 4.36 0.00 2.27 2.42 0.00 0.00 6.93 7.57 0.00 0.00 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 7.45 4.56 0.00 3.14 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 20 C 7.70 4.51 0.00 3.01 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 8.58 4.55 0.00 2.72 2.74 0.00 0.00 6.80 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