NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9961 8.2127 109.7423 45.5672 0.0000 173.8815 2 I 3.2151 8.0687 117.6675 63.0209 37.7543 173.9661 3 V 3.4928 7.7167 119.0907 65.8749 31.7011 177.0369 4 E 3.9242 8.0174 117.4416 59.2808 29.6055 178.0821 5 Q 4.1652 8.1902 118.8108 58.4474 29.3418 176.3198 6 C 5.0256 8.2162 113.7640 56.8559 41.4115 174.0079 7 C 4.3616 7.9511 117.3174 60.0807 29.1538 174.9430 8 T 4.2734 7.9825 116.0267 64.9606 68.8419 174.8977 9 S 4.7691 7.5119 112.2981 55.8355 66.2389 173.4786 10 I 3.8283 8.2054 122.4340 61.6420 37.3347 176.7886 11 C 4.7960 8.5983 123.1212 56.1261 42.0752 174.3682 12 S 4.4981 9.0786 119.3731 58.1206 64.8480 175.6545 13 L 4.0537 8.4232 122.0875 57.9289 41.1140 179.0774 14 Y 4.0331 8.0214 118.3891 60.8686 39.1271 177.7686 15 Q 4.0742 8.3129 118.8837 58.9662 28.8132 178.6251 16 L 4.2087 8.1030 120.0084 57.9559 41.5447 179.1372 17 E 3.9929 7.9880 118.3466 58.3937 29.2360 177.9053 18 N 3.8947 7.3225 116.1966 56.8345 38.8444 175.3004 19 Y 4.4304 7.4544 115.0708 57.6583 38.6934 175.7826 20 C 4.2917 6.9452 118.0249 59.7380 28.9650 173.5815 21 N 4.5298 8.5616 118.0054 53.7631 38.1803 175.3090 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.22 0.56 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.61 0.00 0.00 3 V 7.72 3.49 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 0.95 0.00 0.00 0.86 0.00 0.00 4 E 8.02 3.92 0.00 2.00 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 2.30 2.37 0.00 5 Q 8.19 4.17 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 6 C 8.22 5.03 0.00 3.02 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.36 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.27 4.25 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 0.00 0.00 1.21 0.00 0.00 9 S 7.51 4.77 0.00 3.92 3.78 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 0.00 0.00 0.00 10 I 8.21 3.83 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 0.54 0.93 0.00 0.00 11 C 8.60 4.80 0.00 3.00 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 9.08 4.50 0.00 4.10 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.05 0.00 1.77 1.80 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.02 4.03 0.00 2.95 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 15 Q 8.31 4.07 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 16 L 8.10 4.21 0.00 1.91 1.79 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.99 3.99 0.00 2.17 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 18 N 7.32 3.89 0.00 2.37 1.92 0.00 0.00 7.15 8.02 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 19 Y 7.45 4.43 0.00 3.02 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 20 C 6.95 4.29 0.00 2.87 2.86 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 21 N 8.56 4.53 0.00 2.71 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