NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0195 8.2127 109.7458 45.3002 0.0000 173.8076 2 I 3.4684 8.1236 118.8394 62.8290 37.6718 176.7965 3 L 3.9268 8.5556 121.0281 57.7232 41.5761 178.6363 4 E 3.9768 8.0416 118.0731 59.4771 29.3175 179.0581 5 Q 3.9276 8.0071 118.5191 58.4537 29.2804 176.4512 6 C 4.9986 8.1812 115.5801 56.1317 41.3356 173.9820 7 C 4.3138 7.7608 116.9540 60.5401 29.3681 175.5573 8 T 4.0309 7.4661 116.1096 66.0059 68.3574 174.3254 9 S 4.6868 7.5023 113.2563 56.1470 65.8974 172.4752 10 I 3.9773 8.1671 124.0032 61.3214 37.4124 176.5005 11 C 4.9862 8.5049 122.3383 55.7979 42.2106 174.5167 12 S 4.6083 9.8667 120.6209 57.6070 65.1465 175.5177 13 L 3.9084 8.3805 121.2395 58.0230 40.9617 179.4286 14 Y 3.9900 7.8787 115.6951 61.0557 38.0644 177.8635 15 Q 4.2467 8.1913 118.8748 58.9411 28.8264 178.6889 16 L 4.1888 8.3429 120.3587 57.7367 41.6592 178.8242 17 E 3.9987 8.5008 119.5836 59.6227 29.2748 178.2104 18 N 4.5599 7.8578 113.4202 54.6813 38.3728 175.0538 19 Y 4.3313 8.3039 118.5245 58.1437 39.1349 175.7089 20 C 4.4221 7.7400 117.6790 59.2202 29.0801 173.4491 21 N 4.5398 8.5552 117.9594 53.7484 38.2483 175.3764 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 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.12 3.47 1.13 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.39 0.74 0.00 0.00 3 L 8.56 3.93 0.00 1.75 1.68 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.04 3.98 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 5 Q 8.01 3.93 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 6 C 8.18 5.00 0.00 2.98 3.03 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 0.00 0.00 0.00 7 C 7.76 4.31 0.00 3.14 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 4.03 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 9 S 7.50 4.69 0.00 3.79 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.98 1.89 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 8.50 4.99 0.00 2.96 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 9.87 4.61 0.00 4.22 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.91 0.00 1.21 1.47 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.88 3.99 0.00 2.96 3.08 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 15 Q 8.19 4.25 0.00 2.46 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 16 L 8.34 4.19 0.00 1.85 1.75 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.50 4.00 0.00 2.13 2.25 0.00 0.00 0.00 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 2.43 0.00 18 N 7.86 4.56 0.00 2.74 2.66 0.00 0.00 6.98 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.30 4.33 0.00 3.21 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 7.74 4.42 0.00 3.11 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 8.56 4.54 0.00 2.72 2.73 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