NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 S 4.3287 8.3349 115.4127 57.5639 65.0399 173.3542 -2 R 4.0992 7.7865 121.1017 54.2814 29.8697 174.8845 -1 G 3.7232 8.7126 112.6692 45.3012 0.0000 171.7679 0 G 4.0758 8.2928 109.3265 43.5912 0.0000 172.3754 1 A 4.6892 7.8768 120.1611 50.1858 22.1215 176.1017 2 S 4.3171 8.4826 116.7718 58.3150 63.4671 174.4999 3 Q 4.1753 8.5310 124.8898 55.5254 29.2804 175.0033 4 Y 4.5691 8.5438 124.0137 56.8641 38.9358 174.8054 5 R 4.2240 8.5932 127.5358 54.6611 31.0451 175.0398 6 P 4.2587 0.0000 0.0000 62.5401 32.3206 176.1565 7 S 4.6658 8.0115 114.2300 57.4802 65.6130 174.2163 8 Q 4.0099 8.6078 118.6249 56.8928 28.0129 173.3333 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 -3 S 8.33 4.33 0.00 3.99 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 -2 R 7.79 4.10 0.00 1.90 1.94 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 -1 G 8.71 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 G 8.29 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 1 A 7.88 4.69 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.48 4.32 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 4.18 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 4 Y 8.54 4.57 0.00 2.76 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 5 R 8.59 4.22 0.00 1.84 1.83 0.00 3.43 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 6 P 0.00 4.26 0.00 2.09 1.93 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 7 S 8.01 4.67 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 4.01 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00