#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g69 s HIS 1009N 0.00 -0.06 -0.53 1.57 4.02 -1.26 -4.43 115.29 114.60 1g69 s HIS 1009Ca 0.00 0.27 -0.05 0.00 1.02 0.00 0.00 55.06 56.31 1g69 s HIS 1009Cb 0.00 -0.15 0.14 0.00 -1.02 0.00 0.00 32.58 31.55 1g69 s HIS 1009CO 0.00 -0.11 0.36 -1.01 1.02 0.00 0.00 174.74 175.00 1g69 s HIS 1010N 1.01 3.50 0.00 1.40 4.02 -1.26 -5.08 115.29 118.88 1g69 s HIS 1010Ca -0.08 -2.41 0.00 0.00 1.02 0.00 0.00 55.06 53.59 1g69 s HIS 1010Cb -0.11 -3.30 0.00 0.00 -1.02 0.00 0.00 32.58 28.14 1g69 s HIS 1010CO -0.04 -0.92 0.00 0.41 1.02 0.00 0.00 174.74 175.21 1g69 n GLY 1011N 4.16 -0.46 3.74 -2.22 0.00 -1.26 -4.96 105.19 104.20 1g69 n GLY 1011Ca 0.02 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1g69 n GLY 1011CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1g69 s ILE 1012N -0.53 2.83 -0.10 -0.61 2.07 -1.26 -4.99 121.20 118.60 1g69 s ILE 1012Ca 0.00 0.68 -0.14 0.00 -1.41 0.00 0.00 60.65 59.78 1g69 s ILE 1012Cb 0.00 -3.43 -0.05 0.00 0.13 0.00 0.00 42.46 39.11 1g69 s ILE 1012CO 0.00 0.10 0.35 -0.13 -1.91 0.00 0.00 174.94 173.35 1g69 s ARG 1013N -0.17 4.11 0.00 3.50 0.52 -1.26 -4.94 118.95 120.71 1g69 s ARG 1013Ca 0.59 0.24 0.15 0.00 -0.52 0.00 0.00 55.73 56.20 1g69 s ARG 1013Cb -0.40 -3.35 0.07 0.00 0.52 0.00 0.00 34.95 31.79 1g69 s ARG 1013CO 0.41 0.39 0.91 -1.33 0.02 0.00 0.00 175.30 175.70 1g69 n MET 1014N 2.97 1.40 -3.69 3.54 2.81 -1.26 -4.35 117.12 118.53 1g69 n MET 1014Ca -0.12 -1.15 -0.11 0.00 -1.81 0.00 0.00 57.70 54.51 1g69 n MET 1014Cb 0.52 -1.27 -0.06 0.00 -0.71 0.00 0.00 33.22 31.71 1g69 n MET 1014CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1g69 s THR 1015N -1.47 0.07 0.54 2.03 -1.32 -1.26 -4.99 115.64 109.24 1g69 s THR 1015Ca 0.16 -0.61 -0.20 0.00 -1.21 0.00 0.00 61.69 59.83 1g69 s THR 1015Cb 0.12 -1.06 -0.06 0.00 -1.51 0.00 0.00 72.50 70.00 1g69 s THR 1015CO 0.26 -0.34 1.17 -0.13 -2.21 0.00 0.00 174.62 173.38 1g69 s ARG 1016N -3.06 3.33 0.48 7.08 0.52 -1.26 -4.89 118.95 121.15 1g69 s ARG 1016Ca -0.02 1.75 -0.24 0.00 -0.52 0.00 0.00 55.73 56.70 1g69 s ARG 1016Cb 0.01 -2.09 -0.08 0.00 0.52 0.00 0.00 34.95 33.31 1g69 s ARG 1016CO -0.07 -0.90 1.38 1.51 0.02 0.00 0.00 175.30 177.25 1g69 n ILE 1017N -1.17 3.07 -2.16 1.52 3.06 -1.26 -4.95 119.36 117.47 1g69 n ILE 1017Ca 0.11 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.52 1g69 n ILE 1017Cb 0.50 -1.74 0.01 0.00 0.54 0.00 0.00 39.64 38.95 1g69 n ILE 1017CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1g69 s SER 1018N -0.62 5.66 0.25 9.51 1.04 -1.26 -4.88 113.70 123.41 1g69 s SER 1018Ca 0.64 2.07 -0.06 0.00 0.48 0.00 0.00 55.95 59.09 1g69 s SER 1018Cb -0.45 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.39 1g69 s SER 1018CO 0.55 -1.25 1.91 -0.09 0.98 0.00 0.00 173.24 175.34 1g69 h ARG 1019N 0.90 1.23 -0.57 4.02 2.43 -1.94 -1.47 114.38 118.97 1g69 h ARG 1019Ca -0.49 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.57 1g69 h ARG 1019Cb 1.25 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1g69 h ARG 1019CO 0.57 0.81 0.22 1.49 -1.51 0.00 0.00 179.97 181.54 1g69 h GLU 1020N 1.26 0.86 -0.34 0.20 4.81 -1.99 -1.31 114.58 118.08 1g69 h GLU 1020Ca 0.38 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 1g69 h GLU 1020Cb -0.06 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1g69 h GLU 1020CO -0.11 0.75 -0.37 0.52 -0.73 0.00 0.00 179.01 179.07 1g69 h MET 1021N 0.78 0.80 -0.57 1.92 2.86 -1.86 -2.64 114.93 116.23 1g69 h MET 1021Ca 0.19 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1g69 h MET 1021Cb 0.22 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1g69 h MET 1021CO -0.01 1.04 0.31 1.98 1.06 0.00 0.00 176.91 181.28 1g69 h MET 1022N 0.66 0.79 -0.44 1.72 1.85 -1.10 -2.02 114.93 116.40 1g69 h MET 1022Ca 0.06 -0.09 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 1g69 h MET 1022Cb 0.93 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.78 1g69 h MET 1022CO 0.09 0.61 0.16 0.87 -0.40 0.00 0.00 176.91 178.24 1g69 h LYS 1023N 0.76 0.63 -0.44 0.39 1.57 -1.10 -2.32 116.57 116.07 1g69 h LYS 1023Ca 0.20 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1g69 h LYS 1023Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1g69 h LYS 1023CO -0.03 0.54 -0.11 0.93 -0.57 0.00 0.00 179.45 180.21 1g69 h GLU 1024N 0.63 0.85 -0.02 3.15 5.08 -1.09 -3.05 114.58 120.14 1g69 h GLU 1024Ca 0.15 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1g69 h GLU 1024Cb 0.16 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1g69 h GLU 1024CO -0.01 0.96 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.78 1g69 h LEU 1025N 0.69 0.02 -0.05 1.33 3.38 -0.85 -2.90 115.31 116.92 1g69 h LEU 1025Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1g69 h LEU 1025Cb 0.65 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1g69 h LEU 1025CO 0.04 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.90 1g69 n LEU 1026N -4.39 0.16 -0.18 1.67 4.77 -0.95 -3.70 117.00 114.37 1g69 n LEU 1026Ca -0.02 0.52 -0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1g69 n LEU 1026Cb 0.19 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1g69 n LEU 1026CO 0.36 -0.14 0.41 -1.20 -1.33 0.00 0.00 177.39 175.49 1g69 n SER 1027N -1.65 -0.45 -3.79 -1.43 7.64 -1.10 -3.18 113.62 109.66 1g69 n SER 1027Ca 0.05 1.18 -0.30 0.00 1.01 0.00 0.00 58.87 60.81 1g69 n SER 1027Cb 0.30 -0.31 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 1g69 n SER 1027CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1g69 s VAL 1028N -4.22 1.48 -0.71 0.44 1.01 -1.26 -1.72 120.40 115.42 1g69 s VAL 1028Ca -0.05 -2.24 -0.16 0.00 0.00 0.00 0.00 61.98 59.53 1g69 s VAL 1028Cb 0.05 -2.06 0.16 0.00 0.00 0.00 0.00 36.38 34.52 1g69 s VAL 1028CO 0.26 -0.78 0.73 -0.47 0.00 0.00 0.00 175.10 174.85 1g69 s TYR 1029N 0.77 3.35 0.02 5.22 6.14 -0.05 -0.76 117.35 132.03 1g69 s TYR 1029Ca 0.14 -1.47 -0.28 0.00 0.64 0.00 0.00 57.07 56.11 1g69 s TYR 1029Cb -0.22 -3.93 -0.04 0.00 0.42 0.00 0.00 41.96 38.20 1g69 s TYR 1029CO -0.09 -1.14 0.87 0.12 0.64 0.00 0.00 175.55 175.95 1g69 s PHE 1030N 1.51 3.69 -0.06 4.97 5.36 -0.30 -2.02 117.98 131.12 1g69 s PHE 1030Ca 0.14 1.58 0.05 0.00 -0.96 0.00 0.00 56.93 57.74 1g69 s PHE 1030Cb -0.18 -2.98 -0.01 0.00 -0.34 0.00 0.00 43.02 39.51 1g69 s PHE 1030CO -0.02 0.11 -0.23 0.42 -1.46 0.00 0.00 175.22 174.04 1g69 s ILE 1031N 0.56 1.90 -0.09 3.12 1.01 -0.69 -1.06 121.20 125.95 1g69 s ILE 1031Ca 0.45 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 1g69 s ILE 1031Cb -0.21 -1.62 0.09 0.00 0.01 0.00 0.00 42.46 40.73 1g69 s ILE 1031CO 0.25 0.53 0.77 -0.32 0.00 0.00 0.00 174.94 176.17 1g69 s MET 1032N -0.02 0.92 0.23 2.79 1.75 -0.81 -4.26 119.30 119.90 1g69 s MET 1032Ca -0.06 0.26 0.05 0.00 -1.25 0.00 0.00 55.69 54.68 1g69 s MET 1032Cb -0.14 0.43 -0.05 0.00 2.84 0.00 0.00 34.83 37.91 1g69 s MET 1032CO 0.04 -0.28 -0.04 0.20 -0.65 0.00 0.00 175.02 174.30 1g69 s GLY 1033N -1.09 1.58 0.50 2.11 0.00 -1.08 -2.42 107.32 106.92 1g69 s GLY 1033Ca -0.08 -1.77 0.18 0.00 0.00 0.00 0.00 44.72 43.05 1g69 s GLY 1033CO 0.07 -1.71 2.06 1.48 0.00 0.00 0.00 173.10 175.00 1g69 h SER 1034N 2.45 0.09 -0.19 1.64 4.64 -1.95 -1.98 113.55 118.25 1g69 h SER 1034Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1g69 h SER 1034Cb 1.22 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1g69 h SER 1034CO 0.65 0.06 0.00 -0.46 -0.87 0.00 0.00 176.83 176.21 1g69 n ASN 1035N -4.47 1.73 -0.78 4.97 6.94 -1.26 -3.55 115.26 118.83 1g69 n ASN 1035Ca 0.04 -2.13 0.09 0.00 -0.02 0.00 0.00 54.58 52.56 1g69 n ASN 1035Cb 0.31 -0.34 0.12 0.00 -2.36 0.00 0.00 39.78 37.51 1g69 n ASN 1035CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1g69 n ASN 1036N 0.15 2.75 -3.79 0.53 5.03 -0.74 -4.99 115.26 114.20 1g69 n ASN 1036Ca 0.08 -1.81 -0.10 0.00 0.87 0.00 0.00 54.58 53.62 1g69 n ASN 1036Cb 0.35 -0.11 -0.07 0.00 -1.02 0.00 0.00 39.78 38.92 1g69 n ASN 1036CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1g69 s THR 1037N -1.30 0.10 -0.80 3.41 -1.32 -1.23 -4.40 115.64 110.10 1g69 s THR 1037Ca 0.25 -0.86 0.18 0.00 -1.21 0.00 0.00 61.69 60.05 1g69 s THR 1037Cb 0.16 -1.07 -0.21 0.00 -1.51 0.00 0.00 72.50 69.87 1g69 s THR 1037CO 0.22 -0.48 0.75 0.29 -2.21 0.00 0.00 174.62 173.20 1g69 n LYS 1038N 0.33 0.89 -1.14 7.08 5.02 -1.26 -4.92 118.16 124.15 1g69 n LYS 1038Ca -0.17 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 55.97 1g69 n LYS 1038Cb 0.61 -1.38 0.08 0.00 -0.02 0.00 0.00 35.03 34.32 1g69 n LYS 1038CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g69 n ALA 1039N -1.49 -0.42 -2.24 7.82 0.00 -1.26 -4.97 120.51 117.95 1g69 n ALA 1039Ca 0.03 -0.86 -0.43 0.00 0.00 0.00 0.00 53.44 52.18 1g69 n ALA 1039Cb 0.30 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 1g69 n ALA 1039CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g69 s ASP 1040N -3.17 6.75 0.17 0.00 2.15 -1.26 -4.92 116.67 116.39 1g69 s ASP 1040Ca 0.34 1.83 -0.20 0.00 0.43 0.00 0.00 52.55 54.95 1g69 s ASP 1040Cb -0.01 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.17 1g69 s ASP 1040CO 0.24 -0.91 1.62 -0.65 -0.17 0.00 0.00 175.17 175.29 1g69 h PRO 1041N 9.08 -0.16 -0.79 4.34 0.11 -1.91 -1.47 132.00 141.20 1g69 h PRO 1041Ca -0.32 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1g69 h PRO 1041Cb 1.13 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1g69 h PRO 1041CO 0.97 -0.11 0.43 0.28 -0.21 0.00 0.00 178.00 179.37 1g69 h VAL 1042N -0.17 1.24 -0.91 3.15 2.07 -1.96 -2.33 116.25 117.33 1g69 h VAL 1042Ca 0.20 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1g69 h VAL 1042Cb 0.48 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1g69 h VAL 1042CO -0.52 0.26 0.56 0.74 0.02 0.00 0.00 177.57 178.63 1g69 h THR 1043N 1.10 1.25 -0.55 2.57 2.02 -1.81 -0.34 112.91 117.14 1g69 h THR 1043Ca 0.28 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1g69 h THR 1043Cb 0.03 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 1g69 h THR 1043CO -0.04 0.26 0.24 0.58 0.37 0.00 0.00 175.52 176.92 1g69 h VAL 1044N 1.25 1.21 -0.36 3.16 2.07 -0.87 0.12 116.25 122.83 1g69 h VAL 1044Ca 0.33 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1g69 h VAL 1044Cb -0.07 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1g69 h VAL 1044CO -0.06 0.25 0.18 0.58 0.02 0.00 0.00 177.57 178.54 1g69 h VAL 1045N 0.75 1.16 -0.84 2.57 2.07 -0.94 -0.73 116.25 120.29 1g69 h VAL 1045Ca 0.19 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1g69 h VAL 1045Cb 0.16 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1g69 h VAL 1045CO -0.02 0.17 0.55 1.56 0.02 0.00 0.00 177.57 179.85 1g69 h GLN 1046N 0.45 1.09 -0.59 1.57 4.20 -0.75 -1.88 115.11 119.20 1g69 h GLN 1046Ca 0.13 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1g69 h GLN 1046Cb 0.10 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1g69 h GLN 1046CO -0.02 0.72 -0.03 0.87 -0.67 0.00 0.00 178.83 179.70 1g69 h LYS 1047N 1.12 1.07 -0.79 1.46 1.57 -0.66 -0.18 116.57 120.17 1g69 h LYS 1047Ca 0.31 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1g69 h LYS 1047Cb -0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 1g69 h LYS 1047CO -0.07 1.06 0.35 0.00 -0.57 0.00 0.00 179.45 180.22 1g69 h ALA 1048N 0.97 1.02 -0.27 3.86 0.00 -0.79 0.74 119.26 124.79 1g69 h ALA 1048Ca 0.16 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1g69 h ALA 1048Cb 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1g69 h ALA 1048CO 0.04 0.62 -0.13 -0.07 0.00 0.00 0.00 179.25 179.71 1g69 h LEU 1049N 1.13 0.58 -1.06 0.00 4.07 -1.17 -1.36 115.31 117.50 1g69 h LEU 1049Ca 0.27 -0.41 0.04 0.00 0.08 0.00 0.00 57.88 57.86 1g69 h LEU 1049Cb 0.17 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 1g69 h LEU 1049CO -0.03 0.86 0.63 0.50 -1.08 0.00 0.00 178.44 179.32 1g69 h LYS 1050N 0.30 1.18 0.00 1.13 3.64 -0.70 -2.30 116.57 119.82 1g69 h LYS 1050Ca 0.06 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1g69 h LYS 1050Cb 0.64 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1g69 h LYS 1050CO 0.04 0.78 -0.19 0.78 -2.27 0.00 0.00 179.45 178.59 1g69 h GLY 1051N 1.21 0.00 0.00 5.01 0.00 -0.69 -3.47 103.07 105.14 1g69 h GLY 1051Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1g69 h GLY 1051CO -0.12 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.03 1g69 n GLY 1052N 0.25 -0.63 3.73 4.60 0.00 -0.86 -2.57 105.19 109.71 1g69 n GLY 1052Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1g69 n GLY 1052CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g69 n ALA 1053N 0.00 2.37 0.95 4.61 0.00 -0.56 -4.81 120.51 123.07 1g69 n ALA 1053Ca 0.00 0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.92 1g69 n ALA 1053Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.98 1g69 n ALA 1053CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g69 n THR 1054N 2.15 0.01 -3.61 0.00 -2.24 0.06 -4.77 114.28 105.88 1g69 n THR 1054Ca 0.09 -0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.69 1g69 n THR 1054Cb 0.36 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 1g69 n THR 1054CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1g69 s LEU 1055N -3.09 -0.38 -0.01 3.22 2.96 -1.17 -4.43 118.68 115.78 1g69 s LEU 1055Ca 0.08 0.90 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1g69 s LEU 1055Cb 0.16 2.23 -0.00 0.00 0.50 0.00 0.00 46.19 49.08 1g69 s LEU 1055CO 0.83 -0.41 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.89 1g69 s TYR 1056N -0.51 0.79 -0.13 5.38 6.14 -1.10 -1.15 117.35 126.76 1g69 s TYR 1056Ca -0.06 -0.16 0.03 0.00 0.64 0.00 0.00 57.07 57.52 1g69 s TYR 1056Cb -0.03 -0.52 0.01 0.00 0.42 0.00 0.00 41.96 41.84 1g69 s TYR 1056CO 0.05 -0.03 -0.22 -1.14 0.64 0.00 0.00 175.55 174.86 1g69 s GLN 1057N -0.12 2.96 -0.44 4.97 0.74 -0.22 -0.74 119.66 126.81 1g69 s GLN 1057Ca 0.02 -0.84 -0.27 0.00 0.05 0.00 0.00 55.36 54.33 1g69 s GLN 1057Cb -0.04 -2.37 0.03 0.00 1.10 0.00 0.00 33.01 31.72 1g69 s GLN 1057CO -0.00 0.01 1.01 0.12 -0.55 0.00 0.00 175.29 175.88 1g69 s PHE 1058N 0.76 2.92 -0.29 1.67 5.36 1.00 -1.93 117.98 127.47 1g69 s PHE 1058Ca -0.09 0.62 -0.00 0.00 -0.96 0.00 0.00 56.93 56.50 1g69 s PHE 1058Cb -0.16 -4.06 0.09 0.00 -0.34 0.00 0.00 43.02 38.55 1g69 s PHE 1058CO -0.00 -1.09 0.06 0.50 -1.46 0.00 0.00 175.22 173.23 1g69 s ARG 1059N 3.95 0.93 -0.51 10.12 3.52 -1.01 -1.38 118.95 134.57 1g69 s ARG 1059Ca 0.42 -1.10 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 1g69 s ARG 1059Cb -0.09 -2.25 0.13 0.00 -1.56 0.00 0.00 34.95 31.17 1g69 s ARG 1059CO 0.26 -0.89 0.25 -2.00 -0.81 0.00 0.00 175.30 172.11 1g69 s GLU 1060N 1.51 1.93 0.08 5.12 2.56 -1.26 -2.64 118.70 126.00 1g69 s GLU 1060Ca 0.07 -2.56 -0.07 0.00 0.00 0.00 0.00 54.97 52.40 1g69 s GLU 1060Cb -0.18 -3.29 -0.01 0.00 2.00 0.00 0.00 34.13 32.66 1g69 s GLU 1060CO -0.18 -1.10 0.14 -1.59 -0.56 0.00 0.00 175.26 171.97 1g69 s LYS 1061N -0.20 0.78 0.00 4.30 -2.85 -1.26 -4.84 119.74 115.67 1g69 s LYS 1061Ca 0.17 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 1g69 s LYS 1061Cb -0.25 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 1g69 s LYS 1061CO -0.01 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.62 1g69 n GLY 1062N 0.03 3.01 0.37 0.59 0.00 -1.26 -4.57 105.19 103.35 1g69 n GLY 1062Ca -0.15 -2.02 0.16 0.00 0.00 0.00 0.00 46.02 44.01 1g69 n GLY 1062CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1g69 h GLY 1063N 0.00 0.32 -2.35 -0.02 0.00 -2.02 -1.64 103.07 97.37 1g69 h GLY 1063Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1g69 h GLY 1063CO 0.00 0.04 0.00 2.09 0.00 0.00 0.00 176.54 178.67 1g69 n ASP 1064N -4.44 4.49 -4.81 0.19 5.75 -1.26 -5.00 116.55 111.48 1g69 n ASP 1064Ca 0.10 -2.84 -0.33 0.00 -0.01 0.00 0.00 54.79 51.70 1g69 n ASP 1064Cb 0.50 -0.57 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 1g69 n ASP 1064CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g69 s ALA 1065N -2.55 2.88 0.63 2.12 0.00 -0.62 -4.77 121.76 119.46 1g69 s ALA 1065Ca 0.46 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.74 1g69 s ALA 1065Cb 0.35 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 1g69 s ALA 1065CO 0.13 -0.36 1.15 -0.51 0.00 0.00 0.00 175.76 176.18 1g69 s LEU 1066N -3.73 3.52 0.29 0.00 1.43 -1.26 -4.95 118.68 113.97 1g69 s LEU 1066Ca 0.65 2.20 0.02 0.00 -1.03 0.00 0.00 54.13 55.97 1g69 s LEU 1066Cb -0.15 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 1g69 s LEU 1066CO 0.24 -1.65 0.13 0.42 0.23 0.00 0.00 176.35 175.72 1g69 s THR 1067N -1.97 0.44 0.00 5.49 -4.23 -1.26 -4.64 115.64 109.47 1g69 s THR 1067Ca 0.72 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1g69 s THR 1067Cb -0.25 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1g69 s THR 1067CO 0.37 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1g69 n GLY 1068N -0.54 2.12 0.37 3.99 0.00 -1.26 -2.20 105.19 107.67 1g69 n GLY 1068Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1g69 n GLY 1068CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1g69 h GLU 1069N 0.00 1.17 -0.74 1.61 4.81 -1.99 -1.96 114.58 117.48 1g69 h GLU 1069Ca 0.00 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1g69 h GLU 1069Cb 0.00 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.08 1g69 h GLU 1069CO 0.00 0.77 0.49 0.00 -0.73 0.00 0.00 179.01 179.55 1g69 h ALA 1070N 1.44 0.94 -0.12 2.92 0.00 -1.93 0.64 119.26 123.15 1g69 h ALA 1070Ca 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1g69 h ALA 1070Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1g69 h ALA 1070CO -0.13 0.36 0.06 -0.09 0.00 0.00 0.00 179.25 179.45 1g69 h ARG 1071N 1.00 0.18 -0.42 0.00 2.43 -0.90 -1.72 114.38 114.94 1g69 h ARG 1071Ca 0.27 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1g69 h ARG 1071Cb -0.11 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1g69 h ARG 1071CO -0.06 0.23 0.23 0.82 -1.51 0.00 0.00 179.97 179.67 1g69 h ILE 1072N 0.08 1.16 -0.75 1.20 1.08 -1.02 -1.49 117.51 117.77 1g69 h ILE 1072Ca 0.04 -0.42 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1g69 h ILE 1072Cb 0.11 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 1g69 h ILE 1072CO -0.01 0.17 0.31 0.11 -0.69 0.00 0.00 178.15 178.04 1g69 h LYS 1073N 0.55 1.10 -0.47 2.37 1.79 -0.81 0.56 116.57 121.66 1g69 h LYS 1073Ca 0.15 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1g69 h LYS 1073Cb 0.07 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 1g69 h LYS 1073CO -0.02 0.88 0.09 0.35 -1.08 0.00 0.00 179.45 179.67 1g69 h PHE 1074N 1.08 0.82 -0.55 -1.35 3.57 -1.06 -1.28 116.94 118.17 1g69 h PHE 1074Ca 0.25 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1g69 h PHE 1074Cb 0.18 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1g69 h PHE 1074CO 0.02 0.76 0.35 0.00 -2.23 0.00 0.00 178.31 177.20 1g69 h ALA 1075N 0.96 0.70 -0.78 2.41 0.00 -0.75 -0.20 119.26 121.60 1g69 h ALA 1075Ca 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1g69 h ALA 1075Cb 0.37 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1g69 h ALA 1075CO 0.01 0.09 0.39 0.93 0.00 0.00 0.00 179.25 180.67 1g69 h GLU 1076N 0.69 1.11 -0.37 0.00 5.08 -0.64 0.50 114.58 120.96 1g69 h GLU 1076Ca 0.21 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1g69 h GLU 1076Cb -0.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1g69 h GLU 1076CO -0.07 0.85 -0.28 0.87 -1.00 0.00 0.00 179.01 179.37 1g69 h LYS 1077N 1.09 0.77 -0.54 2.33 1.57 -0.77 0.13 116.57 121.15 1g69 h LYS 1077Ca 0.27 -0.34 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1g69 h LYS 1077Cb 0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1g69 h LYS 1077CO -0.04 0.96 -0.12 0.00 -0.57 0.00 0.00 179.45 179.68 1g69 h ALA 1078N 1.03 0.74 -0.75 3.86 0.00 -0.72 -1.53 119.26 121.89 1g69 h ALA 1078Ca 0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1g69 h ALA 1078Cb 0.80 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1g69 h ALA 1078CO 0.07 0.67 0.36 0.37 0.00 0.00 0.00 179.25 180.72 1g69 h GLN 1079N 0.92 1.09 -0.66 0.00 4.15 -0.64 -1.52 115.11 118.44 1g69 h GLN 1079Ca 0.14 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1g69 h GLN 1079Cb 0.70 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1g69 h GLN 1079CO 0.05 0.85 0.42 0.00 -1.93 0.00 0.00 178.83 178.22 1g69 h ALA 1080N 1.18 0.84 -0.85 3.38 0.00 -0.65 -0.50 119.26 122.67 1g69 h ALA 1080Ca 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1g69 h ALA 1080Cb 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1g69 h ALA 1080CO -0.03 0.30 0.42 0.00 0.00 0.00 0.00 179.25 179.94 1g69 h ALA 1081N 1.22 1.09 -0.59 0.00 0.00 -0.89 -1.22 119.26 118.88 1g69 h ALA 1081Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1g69 h ALA 1081Cb -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1g69 h ALA 1081CO -0.05 0.64 0.22 0.00 0.00 0.00 0.00 179.25 180.06 1g69 h ARG 1083N 0.82 0.74 -0.61 0.00 2.43 -0.62 0.59 114.38 117.73 1g69 h ARG 1083Ca 0.19 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1g69 h ARG 1083Cb 0.23 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1g69 h ARG 1083CO -0.01 0.57 0.33 0.93 -1.51 0.00 0.00 179.97 180.28 1g69 h GLU 1084N 0.71 0.84 -0.00 0.20 4.39 -0.97 -2.12 114.58 117.63 1g69 h GLU 1084Ca 0.19 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1g69 h GLU 1084Cb 0.04 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1g69 h GLU 1084CO -0.03 0.62 -0.24 0.00 -1.16 0.00 0.00 179.01 178.19 1g69 n ALA 1085N -2.44 2.96 -2.36 3.43 0.00 -0.64 -4.94 120.51 116.52 1g69 n ALA 1085Ca 0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1g69 n ALA 1085Cb 0.10 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1g69 n ALA 1085CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g69 n GLY 1086N 1.46 0.05 3.45 0.00 0.00 0.04 -5.00 105.19 105.19 1g69 n GLY 1086Ca 0.08 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1g69 n GLY 1086CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g69 s VAL 1087N -2.62 2.81 0.39 1.61 1.01 -0.29 -4.70 120.40 118.62 1g69 s VAL 1087Ca 0.06 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 1g69 s VAL 1087Cb -0.03 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 1g69 s VAL 1087CO 0.07 0.46 1.20 -2.84 0.00 0.00 0.00 175.10 173.99 1g69 s PRO 1088N -1.09 4.09 -0.29 2.72 0.02 -1.26 -4.27 135.00 134.92 1g69 s PRO 1088Ca 0.13 1.93 -0.08 0.00 0.02 0.00 0.00 61.00 62.99 1g69 s PRO 1088Cb -0.10 -2.75 -0.01 0.00 0.02 0.00 0.00 34.50 31.66 1g69 s PRO 1088CO 0.03 -0.32 0.11 0.12 -0.33 0.00 0.00 177.00 176.62 1g69 s PHE 1089N -1.35 3.15 -0.12 6.54 5.36 -1.26 -2.73 117.98 127.57 1g69 s PHE 1089Ca 0.56 -0.61 -0.02 0.00 -0.96 0.00 0.00 56.93 55.90 1g69 s PHE 1089Cb -0.33 -2.30 -0.03 0.00 -0.34 0.00 0.00 43.02 40.02 1g69 s PHE 1089CO 0.42 -0.45 -0.05 0.42 -1.46 0.00 0.00 175.22 174.10 1g69 s ILE 1090N 1.59 3.83 -0.14 3.12 -1.09 0.08 -0.52 121.20 128.08 1g69 s ILE 1090Ca 0.05 -0.40 -0.08 0.00 -2.23 0.00 0.00 60.65 57.99 1g69 s ILE 1090Cb -0.17 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.04 1g69 s ILE 1090CO 0.05 0.54 0.12 -0.69 -1.23 0.00 0.00 174.94 173.73 1g69 s VAL 1091N -0.18 5.36 -0.10 2.92 1.01 -0.59 -0.00 120.40 128.81 1g69 s VAL 1091Ca 0.03 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 1g69 s VAL 1091Cb -0.13 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1g69 s VAL 1091CO 0.03 0.56 0.68 0.21 0.00 0.00 0.00 175.10 176.58 1g69 s ASN 1092N -0.54 6.91 0.00 3.32 2.47 -0.48 -0.72 114.94 125.90 1g69 s ASN 1092Ca 0.12 1.10 0.00 0.00 0.42 0.00 0.00 52.86 54.50 1g69 s ASN 1092Cb -0.12 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 1g69 s ASN 1092CO 0.02 -0.16 0.00 0.47 -3.72 0.00 0.00 177.10 173.71 1g69 n ASP 1093N 4.12 0.00 -4.55 -4.21 8.00 0.85 -4.87 116.55 115.89 1g69 n ASP 1093Ca -0.01 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.15 1g69 n ASP 1093Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 1g69 n ASP 1093CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1g69 s ASP 1094N 0.00 5.19 0.12 -2.24 -1.08 -1.26 -4.87 116.67 112.53 1g69 s ASP 1094Ca 0.00 0.00 -0.17 0.00 -0.52 0.00 0.00 52.55 51.86 1g69 s ASP 1094Cb 0.00 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.89 1g69 s ASP 1094CO 0.00 -2.54 1.66 0.58 0.52 0.00 0.00 175.17 175.39 1g69 h VAL 1095N 7.05 1.20 -0.88 1.11 2.07 -1.94 -1.62 116.25 123.23 1g69 h VAL 1095Ca -0.13 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1g69 h VAL 1095Cb 1.11 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1g69 h VAL 1095CO 1.21 0.22 0.56 -0.33 0.02 0.00 0.00 177.57 179.25 1g69 h GLU 1096N 0.42 1.17 -0.42 1.57 4.39 -2.00 -1.41 114.58 118.31 1g69 h GLU 1096Ca 0.12 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1g69 h GLU 1096Cb 0.21 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1g69 h GLU 1096CO -0.01 0.80 0.06 1.25 -1.16 0.00 0.00 179.01 179.95 1g69 h LEU 1097N 1.20 0.68 -0.89 1.33 5.85 -1.93 0.32 115.31 121.87 1g69 h LEU 1097Ca 0.32 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1g69 h LEU 1097Cb -0.10 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 1g69 h LEU 1097CO -0.06 0.78 0.57 0.00 -0.34 0.00 0.00 178.44 179.38 1g69 h ALA 1098N 0.93 1.20 -0.16 1.25 0.00 -0.84 0.40 119.26 122.03 1g69 h ALA 1098Ca 0.13 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1g69 h ALA 1098Cb 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1g69 h ALA 1098CO 0.01 0.38 -0.48 -0.07 0.00 0.00 0.00 179.25 179.09 1g69 h LEU 1099N 1.07 0.71 -0.64 0.00 3.38 -1.01 0.50 115.31 119.31 1g69 h LEU 1099Ca 0.37 -0.59 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1g69 h LEU 1099Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1g69 h LEU 1099CO -0.14 1.17 -0.07 0.78 0.09 0.00 0.00 178.44 180.27 1g69 h ASN 1100N 0.28 0.98 1.04 -0.43 2.35 -0.60 -2.82 115.58 116.38 1g69 h ASN 1100Ca -0.01 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1g69 h ASN 1100Cb 1.10 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1g69 h ASN 1100CO 0.10 1.07 -0.24 0.18 -1.65 0.00 0.00 177.43 176.89 1g69 n LEU 1101N -4.16 0.53 -2.88 1.61 4.77 0.10 -4.94 117.00 112.03 1g69 n LEU 1101Ca 0.02 0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1g69 n LEU 1101Cb 0.37 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1g69 n LEU 1101CO 0.44 -0.05 0.07 0.29 -1.33 0.00 0.00 177.39 176.81 1g69 n LYS 1102N -1.91 -4.29 -1.21 3.23 5.02 -0.76 -4.99 118.16 113.25 1g69 n LYS 1102Ca 0.05 0.66 -0.30 0.00 -2.02 0.00 0.00 58.31 56.71 1g69 n LYS 1102Cb 0.39 -5.05 0.13 0.00 -0.02 0.00 0.00 35.03 30.48 1g69 n LYS 1102CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g69 s ALA 1103N -3.29 1.63 -1.22 7.82 0.00 0.10 -4.94 121.76 121.85 1g69 s ALA 1103Ca 0.09 -0.03 0.27 0.00 0.00 0.00 0.00 51.96 52.29 1g69 s ALA 1103Cb -0.01 -3.20 0.92 0.00 0.00 0.00 0.00 23.12 20.83 1g69 s ALA 1103CO 0.57 -2.29 1.69 -0.25 0.00 0.00 0.00 175.76 175.48 1g69 n ASP 1104N -3.84 0.38 -3.83 0.00 9.92 0.33 -4.95 116.55 114.55 1g69 n ASP 1104Ca 0.07 -0.16 0.05 0.00 -0.53 0.00 0.00 54.79 54.22 1g69 n ASP 1104Cb 0.55 -0.06 0.01 0.00 -0.64 0.00 0.00 41.12 40.98 1g69 n ASP 1104CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1g69 s GLY 1105N -2.83 -0.34 0.02 0.44 0.00 -1.17 -1.59 107.32 101.85 1g69 s GLY 1105Ca 0.17 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.40 1g69 s GLY 1105CO 0.58 4.17 -0.03 -1.50 0.00 0.00 0.00 173.10 176.32 1g69 s ILE 1106N -2.00 0.15 -0.10 0.90 2.07 0.08 -1.54 121.20 120.75 1g69 s ILE 1106Ca 0.25 -0.73 0.03 0.00 -1.41 0.00 0.00 60.65 58.79 1g69 s ILE 1106Cb 0.03 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.38 1g69 s ILE 1106CO -0.05 -0.37 -0.21 -2.28 -1.91 0.00 0.00 174.94 170.12 1g69 s HIS 1107N -1.13 2.36 0.22 3.50 5.65 0.10 -1.18 115.29 124.81 1g69 s HIS 1107Ca -0.12 -1.02 0.08 0.00 0.25 0.00 0.00 55.06 54.25 1g69 s HIS 1107Cb -0.08 -1.61 -0.05 0.00 -1.18 0.00 0.00 32.58 29.67 1g69 s HIS 1107CO -0.01 -0.45 -0.15 0.96 -0.65 0.00 0.00 174.74 174.45 1g69 s ILE 1108N 0.56 1.82 0.18 0.89 -4.36 0.13 -0.10 121.20 120.31 1g69 s ILE 1108Ca -0.14 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.04 1g69 s ILE 1108Cb -0.17 -2.10 0.02 0.00 1.25 0.00 0.00 42.46 41.46 1g69 s ILE 1108CO 0.05 -0.56 0.17 0.61 0.24 0.00 0.00 174.94 175.45 1g69 n GLY 1109N -0.42 2.66 0.16 6.27 0.00 -1.26 -1.07 105.19 111.53 1g69 n GLY 1109Ca -0.07 -2.20 0.03 0.00 0.00 0.00 0.00 46.02 43.78 1g69 n GLY 1109CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1g69 h GLN 1110N 0.00 0.00 0.00 1.61 1.08 -1.95 -3.21 115.11 112.64 1g69 h GLN 1110Ca -0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1g69 h GLN 1110Cb 0.41 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1g69 h GLN 1110CO 0.16 0.48 -0.71 0.93 -0.95 0.00 0.00 178.83 178.75 1g69 h GLU 1111N 0.00 0.00 0.00 1.46 3.07 -1.97 -3.47 114.58 113.67 1g69 h GLU 1111Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1g69 h GLU 1111Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1g69 h GLU 1111CO 0.06 0.05 0.00 -0.25 -1.40 0.00 0.00 179.01 177.48 1g69 n ASP 1112N -2.86 -0.65 -4.73 1.42 8.00 -1.21 -4.97 116.55 111.55 1g69 n ASP 1112Ca 0.00 -0.39 -0.37 0.00 0.71 0.00 0.00 54.79 54.74 1g69 n ASP 1112Cb 0.58 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.75 1g69 n ASP 1112CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g69 s ALA 1113N -3.09 2.41 0.26 2.24 0.00 -1.26 -4.90 121.76 117.41 1g69 s ALA 1113Ca 0.00 1.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 1g69 s ALA 1113Cb 0.00 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 1g69 s ALA 1113CO 0.00 -1.56 1.36 -1.71 0.00 0.00 0.00 175.76 173.85 1g69 n ASN 1114N -1.85 2.69 -0.25 0.00 5.15 -1.26 -4.83 115.26 114.91 1g69 n ASN 1114Ca 0.16 1.16 0.01 0.00 -0.60 0.00 0.00 54.58 55.30 1g69 n ASN 1114Cb 0.48 -1.43 0.23 0.00 -0.53 0.00 0.00 39.78 38.53 1g69 n ASN 1114CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g69 h ALA 1115N 3.76 1.46 -0.67 5.20 0.00 -1.92 -0.92 119.26 126.17 1g69 h ALA 1115Ca -0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1g69 h ALA 1115Cb 1.28 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1g69 h ALA 1115CO 0.72 0.48 0.18 0.87 0.00 0.00 0.00 179.25 181.50 1g69 h LYS 1116N 1.05 1.05 -0.44 0.00 1.57 -1.90 0.16 116.57 118.06 1g69 h LYS 1116Ca 0.31 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1g69 h LYS 1116Cb -0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1g69 h LYS 1116CO -0.08 0.93 0.12 0.93 -0.57 0.00 0.00 179.45 180.78 1g69 h GLU 1117N 0.98 0.68 -0.33 3.15 5.08 -1.75 -2.67 114.58 119.73 1g69 h GLU 1117Ca 0.21 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1g69 h GLU 1117Cb 0.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1g69 h GLU 1117CO -0.00 0.68 -0.04 0.28 -1.00 0.00 0.00 179.01 178.92 1g69 h VAL 1118N 0.57 1.27 -1.00 3.13 2.07 -0.97 -1.91 116.25 119.41 1g69 h VAL 1118Ca 0.14 -1.06 0.18 0.00 0.82 0.00 0.00 66.70 66.78 1g69 h VAL 1118Cb 0.28 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 1g69 h VAL 1118CO -0.00 0.34 0.61 -0.09 0.02 0.00 0.00 177.57 178.45 1g69 h ARG 1119N 0.40 0.77 -0.00 1.57 9.65 -0.60 -1.34 114.38 124.83 1g69 h ARG 1119Ca 0.09 -0.05 -0.26 0.00 -1.10 0.00 0.00 59.98 58.66 1g69 h ARG 1119Cb 0.52 -0.17 0.02 0.00 -1.39 0.00 0.00 29.97 28.94 1g69 h ARG 1119CO 0.03 0.51 -1.03 0.00 2.80 0.00 0.00 179.97 182.27 1g69 h ALA 1120N 1.63 0.16 0.00 2.80 0.00 -1.28 -3.28 119.26 119.29 1g69 h ALA 1120Ca 0.57 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1g69 h ALA 1120Cb 0.85 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1g69 h ALA 1120CO -0.37 0.70 -0.43 0.00 0.00 0.00 0.00 179.25 179.15 1g69 h ALA 1121N 0.44 1.26 -0.50 0.00 0.00 -0.51 -3.21 119.26 116.74 1g69 h ALA 1121Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1g69 h ALA 1121Cb 1.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1g69 h ALA 1121CO 0.20 0.53 0.00 0.44 0.00 0.00 0.00 179.25 180.42 1g69 n ILE 1122N -3.98 0.66 -0.11 0.00 -5.35 -0.59 -5.05 119.36 104.93 1g69 n ILE 1122Ca -0.02 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 1g69 n ILE 1122Cb 0.46 0.72 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 1g69 n ILE 1122CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g69 n GLY 1123N 1.52 2.67 1.35 3.28 0.00 -1.21 -2.89 105.19 109.91 1g69 n GLY 1123Ca 0.21 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1g69 n GLY 1123CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g69 n ASP 1124N 5.47 4.47 -4.65 1.61 8.00 -1.26 -4.77 116.55 125.42 1g69 n ASP 1124Ca 0.00 -2.57 -0.29 0.00 0.71 0.00 0.00 54.79 52.64 1g69 n ASP 1124Cb 0.00 -0.54 0.18 0.00 -0.02 0.00 0.00 41.12 40.74 1g69 n ASP 1124CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g69 s MET 1125N -2.06 0.36 0.25 -1.24 0.23 -1.14 -4.45 119.30 111.25 1g69 s MET 1125Ca 0.46 0.69 -0.30 0.00 -1.03 0.00 0.00 55.69 55.51 1g69 s MET 1125Cb 0.32 -1.72 -0.11 0.00 -1.53 0.00 0.00 34.83 31.79 1g69 s MET 1125CO 0.19 -2.82 1.55 0.42 -2.03 0.00 0.00 175.02 172.33 1g69 s ILE 1126N -2.84 2.36 -0.16 3.16 1.01 -0.62 -4.90 121.20 119.20 1g69 s ILE 1126Ca 0.66 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1g69 s ILE 1126Cb -0.20 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.12 1g69 s ILE 1126CO 0.59 0.04 -0.13 -0.22 0.00 0.00 0.00 174.94 175.22 1g69 s LEU 1127N -0.01 1.86 -0.04 2.97 2.96 -1.26 -0.74 118.68 124.41 1g69 s LEU 1127Ca 0.64 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1g69 s LEU 1127Cb -0.45 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1g69 s LEU 1127CO 0.42 -0.08 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.46 1g69 s GLY 1128N 1.46 1.69 -0.05 7.98 0.00 -0.32 0.16 107.32 118.25 1g69 s GLY 1128Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.81 1g69 s GLY 1128CO -0.10 -0.77 -0.08 0.14 0.00 0.00 0.00 173.10 172.28 1g69 s VAL 1129N -0.88 0.82 0.16 1.40 1.01 -0.80 -0.70 120.40 121.42 1g69 s VAL 1129Ca 0.14 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1g69 s VAL 1129Cb -0.11 -0.78 -0.07 0.00 0.00 0.00 0.00 36.38 35.42 1g69 s VAL 1129CO 0.04 0.28 1.11 0.00 0.00 0.00 0.00 175.10 176.53 1g69 s ALA 1130N 0.66 3.37 0.02 5.51 0.00 -0.23 -1.29 121.76 129.80 1g69 s ALA 1130Ca -0.11 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1g69 s ALA 1130Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1g69 s ALA 1130CO 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 175.76 175.46 1g69 s ALA 1131N -0.01 0.55 0.00 0.00 0.00 -0.38 -4.36 121.76 117.55 1g69 s ALA 1131Ca 0.51 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1g69 s ALA 1131Cb -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1g69 s ALA 1131CO 0.34 0.04 0.15 0.72 0.00 0.00 0.00 175.76 177.01 1g69 n HIS 1132N 2.04 0.00 -4.12 0.00 8.25 -1.26 -4.01 115.22 116.11 1g69 n HIS 1132Ca -0.19 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.19 1g69 n HIS 1132Cb 0.56 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.57 1g69 n HIS 1132CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1g69 s THR 1133N -0.15 0.17 0.19 1.59 -4.23 -1.26 -5.02 115.64 106.93 1g69 s THR 1133Ca 0.00 -1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 58.52 1g69 s THR 1133Cb 0.00 -1.80 0.10 0.00 1.34 0.00 0.00 72.50 72.14 1g69 s THR 1133CO 0.00 -0.72 1.84 -0.03 -0.54 0.00 0.00 174.62 175.17 1g69 h MET 1134N 3.00 0.73 -0.85 3.99 1.85 -1.98 -1.22 114.93 120.44 1g69 h MET 1134Ca -0.35 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 58.73 1g69 h MET 1134Cb 1.17 -0.16 -0.05 0.00 0.43 0.00 0.00 31.60 32.99 1g69 h MET 1134CO 0.62 0.48 0.55 0.66 -0.40 0.00 0.00 176.91 178.82 1g69 h SER 1135N 0.75 0.91 -0.07 1.39 4.64 -1.99 -0.94 113.55 118.24 1g69 h SER 1135Ca 0.23 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1g69 h SER 1135Cb -0.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1g69 h SER 1135CO -0.08 0.63 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.85 1g69 h GLU 1136N 1.07 0.54 -0.06 4.77 5.08 -1.83 -0.54 114.58 123.61 1g69 h GLU 1136Ca 0.34 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1g69 h GLU 1136Cb 0.01 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1g69 h GLU 1136CO -0.12 0.80 0.01 0.28 -1.00 0.00 0.00 179.01 178.98 1g69 h VAL 1137N 0.46 1.20 -0.78 3.13 2.07 -0.55 -0.01 116.25 121.77 1g69 h VAL 1137Ca 0.06 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1g69 h VAL 1137Cb 0.78 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1g69 h VAL 1137CO 0.06 0.17 0.42 0.11 0.02 0.00 0.00 177.57 178.35 1g69 h LYS 1138N -0.13 1.09 -0.48 1.57 1.57 -1.07 -1.60 116.57 117.52 1g69 h LYS 1138Ca 0.02 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 1g69 h LYS 1138Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1g69 h LYS 1138CO 0.00 0.80 -0.11 0.37 -0.57 0.00 0.00 179.45 179.94 1g69 h GLN 1139N 1.09 0.92 -0.70 3.15 5.75 -0.95 -1.54 115.11 122.83 1g69 h GLN 1139Ca 0.27 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1g69 h GLN 1139Cb 0.04 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1g69 h GLN 1139CO -0.04 1.00 0.41 0.00 -2.65 0.00 0.00 178.83 177.55 1g69 h ALA 1140N 0.88 0.89 -0.27 3.38 0.00 -0.56 0.14 119.26 123.73 1g69 h ALA 1140Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1g69 h ALA 1140Cb 0.67 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1g69 h ALA 1140CO 0.05 0.38 0.13 1.49 0.00 0.00 0.00 179.25 181.29 1g69 h GLU 1141N 0.95 0.40 -0.40 0.00 4.81 -1.12 -1.18 114.58 118.05 1g69 h GLU 1141Ca 0.25 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1g69 h GLU 1141Cb -0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1g69 h GLU 1141CO -0.04 0.40 0.10 1.49 -0.73 0.00 0.00 179.01 180.22 1g69 h GLU 1142N 0.31 0.58 0.00 1.92 4.81 -0.84 -2.42 114.58 118.94 1g69 h GLU 1142Ca 0.09 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1g69 h GLU 1142Cb 0.14 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1g69 h GLU 1142CO -0.01 0.54 0.00 -0.25 -0.73 0.00 0.00 179.01 178.56 1g69 n ASP 1143N -4.33 0.16 0.00 1.04 8.00 0.47 -4.89 116.55 117.00 1g69 n ASP 1143Ca 0.02 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1g69 n ASP 1143Cb 0.19 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1g69 n ASP 1143CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g69 n GLY 1144N 0.62 1.16 3.77 0.44 0.00 -0.91 -4.43 105.19 105.83 1g69 n GLY 1144Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1g69 n GLY 1144CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g69 s ALA 1145N -2.00 3.24 -0.19 4.61 0.00 -0.48 -4.84 121.76 122.10 1g69 s ALA 1145Ca 0.00 1.07 0.20 0.00 0.00 0.00 0.00 51.96 53.23 1g69 s ALA 1145Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1g69 s ALA 1145CO 0.00 -0.61 0.97 -0.44 0.00 0.00 0.00 175.76 175.68 1g69 h ASP 1146N 2.80 0.00 -5.02 0.00 3.32 -0.62 -3.44 116.42 113.46 1g69 h ASP 1146Ca -0.49 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 1g69 h ASP 1146Cb 1.24 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.64 1g69 h ASP 1146CO 0.63 0.27 0.08 -0.72 -1.72 0.00 0.00 179.24 177.78 1g69 s TYR 1147N -3.16 -0.43 0.03 4.55 -0.85 -1.10 -4.18 117.35 112.21 1g69 s TYR 1147Ca -0.01 0.35 0.08 0.00 -0.52 0.00 0.00 57.07 56.97 1g69 s TYR 1147Cb 0.09 0.40 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 1g69 s TYR 1147CO 0.80 -0.72 -0.24 0.14 -1.52 0.00 0.00 175.55 174.00 1g69 s VAL 1148N -3.08 1.96 -0.27 -3.49 -7.23 -0.69 -1.91 120.40 105.70 1g69 s VAL 1148Ca -0.02 -1.25 -0.09 0.00 -1.81 0.00 0.00 61.98 58.82 1g69 s VAL 1148Cb -0.00 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1g69 s VAL 1148CO -0.07 0.37 0.12 -0.83 -0.31 0.00 0.00 175.10 174.38 1g69 s GLY 1149N -1.05 1.83 -0.13 2.32 0.00 -0.41 -1.80 107.32 108.07 1g69 s GLY 1149Ca 0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.60 1g69 s GLY 1149CO 0.01 0.60 -0.03 1.08 0.00 0.00 0.00 173.10 174.76 1g69 s LEU 1150N 1.64 3.32 0.00 0.66 1.43 -0.10 -1.26 118.68 124.38 1g69 s LEU 1150Ca 0.06 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1g69 s LEU 1150Cb -0.16 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1g69 s LEU 1150CO 0.06 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1g69 n GLY 1151N 3.03 -1.57 3.73 -3.19 0.00 -1.26 -1.23 105.19 104.71 1g69 n GLY 1151Ca -0.18 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1g69 n GLY 1151CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1g69 s PRO 1152N -1.38 4.39 0.02 1.61 0.02 -1.26 -4.80 135.00 133.60 1g69 s PRO 1152Ca 0.00 2.00 -0.20 0.00 0.02 0.00 0.00 61.00 62.82 1g69 s PRO 1152Cb 0.00 -3.23 -0.19 0.00 0.02 0.00 0.00 34.50 31.10 1g69 s PRO 1152CO 0.00 -0.27 1.20 0.82 -0.33 0.00 0.00 177.00 178.42 1g69 h ILE 1153N 3.92 1.41 -2.88 2.83 1.08 -1.11 -1.16 117.51 121.59 1g69 h ILE 1153Ca -0.44 -1.74 -0.46 0.00 -0.39 0.00 0.00 64.86 61.83 1g69 h ILE 1153Cb 1.21 2.28 -0.14 0.00 -3.07 0.00 0.00 36.82 37.11 1g69 h ILE 1153CO 0.79 0.51 -0.63 -0.31 -0.69 0.00 0.00 178.15 177.81 1g69 s TYR 1154N -3.67 1.88 0.49 1.37 1.51 -0.50 -1.54 117.35 116.89 1g69 s TYR 1154Ca -0.14 -0.88 -0.24 0.00 -1.01 0.00 0.00 57.07 54.80 1g69 s TYR 1154Cb 0.04 -1.17 -0.07 0.00 -0.11 0.00 0.00 41.96 40.65 1g69 s TYR 1154CO 0.79 0.07 1.39 -2.30 -1.11 0.00 0.00 175.55 174.38 1g69 n PRO 1155N -0.61 2.00 -3.77 -1.71 -0.02 -1.26 -3.91 135.00 125.72 1g69 n PRO 1155Ca -0.04 0.72 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1g69 n PRO 1155Cb 0.65 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 1g69 n PRO 1155CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1g69 s THR 1156N -1.23 0.02 -0.81 3.45 -1.32 -1.26 -3.87 115.64 110.62 1g69 s THR 1156Ca 0.65 -0.17 0.10 0.00 -1.21 0.00 0.00 61.69 61.06 1g69 s THR 1156Cb -0.44 -0.50 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 1g69 s THR 1156CO 0.54 -0.10 0.58 -0.62 -2.21 0.00 0.00 174.62 172.82 1g69 n GLU 1157N 2.34 2.57 -0.27 7.08 -0.58 -1.26 -4.56 120.64 125.96 1g69 n GLU 1157Ca -0.16 -0.42 -0.07 0.00 -0.42 0.00 0.00 57.16 56.09 1g69 n GLU 1157Cb 0.57 -1.06 0.05 0.00 -0.57 0.00 0.00 31.44 30.43 1g69 n GLU 1157CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1g69 h THR 1158N 0.80 1.26 -3.22 2.62 2.02 -2.02 -3.38 112.91 110.98 1g69 h THR 1158Ca 0.00 -0.92 -0.67 0.00 0.77 0.00 0.00 66.41 65.60 1g69 h THR 1158Cb 0.32 0.44 -0.32 0.00 -1.74 0.00 0.00 68.15 66.86 1g69 h THR 1158CO 0.00 0.36 -0.81 -0.75 0.37 0.00 0.00 175.52 174.69 1g69 s LYS 1159N -5.41 3.17 -0.14 6.66 2.20 -1.26 -5.04 119.74 119.91 1g69 s LYS 1159Ca -0.12 -0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 54.45 1g69 s LYS 1159Cb 0.15 -2.70 -0.26 0.00 -1.51 0.00 0.00 37.83 33.51 1g69 s LYS 1159CO 0.84 -0.13 0.75 0.87 -0.36 0.00 0.00 175.35 177.32 1g69 h LYS 1160N 7.76 0.00 -3.21 4.03 1.79 -1.88 -3.38 116.57 121.69 1g69 h LYS 1160Ca -0.40 -0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.42 1g69 h LYS 1160Cb 1.16 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.83 1g69 h LYS 1160CO 0.60 1.00 3.60 -0.40 -1.08 0.00 0.00 179.45 183.17 1g69 n ASP 1161N -4.60 7.58 -4.93 0.86 5.68 -1.26 -4.92 116.55 114.96 1g69 n ASP 1161Ca -0.11 -2.58 -0.26 0.00 -0.50 0.00 0.00 54.79 51.34 1g69 n ASP 1161Cb 0.49 -1.51 -0.02 0.00 -1.14 0.00 0.00 41.12 38.94 1g69 n ASP 1161CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1g69 s THR 1162N 2.50 5.11 0.96 2.12 -4.23 -1.26 -5.10 115.64 115.74 1g69 s THR 1162Ca 0.63 -0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 60.68 1g69 s THR 1162Cb 0.16 -3.80 0.18 0.00 1.34 0.00 0.00 72.50 70.39 1g69 s THR 1162CO -0.06 -0.40 1.23 -0.13 -0.54 0.00 0.00 174.62 174.72 1g69 s ARG 1163N -3.87 0.66 0.42 3.99 1.81 -1.26 -4.98 118.95 115.72 1g69 s ARG 1163Ca 0.41 -0.15 -0.26 0.00 -1.72 0.00 0.00 55.73 54.01 1g69 s ARG 1163Cb -0.10 -1.82 -0.09 0.00 -0.45 0.00 0.00 34.95 32.48 1g69 s ARG 1163CO 0.33 -2.44 1.41 0.00 -0.68 0.00 0.00 175.30 173.92 1g69 s ALA 1164N -3.59 3.34 0.26 2.13 0.00 -1.26 -4.56 121.76 118.08 1g69 s ALA 1164Ca 0.70 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.80 1g69 s ALA 1164Cb -0.08 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.36 1g69 s ALA 1164CO 0.53 -1.07 1.54 0.54 0.00 0.00 0.00 175.76 177.30 1g69 s VAL 1165N -1.19 2.33 0.00 0.00 0.11 -1.26 -4.31 120.40 116.08 1g69 s VAL 1165Ca 0.58 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 1g69 s VAL 1165Cb -0.43 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1g69 s VAL 1165CO 0.56 0.04 0.40 0.00 -3.33 0.00 0.00 175.10 172.77 1g69 n GLN 1166N 2.42 0.03 0.00 1.54 10.64 -0.44 -5.00 117.38 126.56 1g69 n GLN 1166Ca 0.08 -0.40 0.00 0.00 -1.83 0.00 0.00 57.00 54.85 1g69 n GLN 1166Cb 0.38 -0.89 0.00 0.00 -0.86 0.00 0.00 30.24 28.87 1g69 n GLN 1166CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1g69 n GLY 1167N 0.12 2.16 1.48 2.61 0.00 -0.59 -2.26 105.19 108.72 1g69 n GLY 1167Ca 0.00 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.66 1g69 n GLY 1167CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g69 n VAL 1168N 0.00 1.90 -0.13 1.61 0.24 -1.26 -4.51 118.33 116.18 1g69 n VAL 1168Ca 0.00 -1.27 -0.05 0.00 -2.04 0.00 0.00 64.34 60.98 1g69 n VAL 1168Cb 0.00 0.09 0.03 0.00 -1.47 0.00 0.00 33.84 32.49 1g69 n VAL 1168CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1g69 h SER 1169N 3.73 0.24 -0.24 -1.34 4.64 -1.87 -1.17 113.55 117.54 1g69 h SER 1169Ca 0.00 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 1g69 h SER 1169Cb 1.45 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 1g69 h SER 1169CO 0.24 0.18 -0.35 0.25 -0.87 0.00 0.00 176.83 176.27 1g69 h LEU 1170N 0.38 0.81 -0.28 5.97 5.85 -1.82 -0.94 115.31 125.28 1g69 h LEU 1170Ca 0.19 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1g69 h LEU 1170Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1g69 h LEU 1170CO -0.16 1.08 0.16 0.40 -0.34 0.00 0.00 178.44 179.58 1g69 h ILE 1171N 0.64 1.02 -0.48 4.05 2.04 -1.80 -0.43 117.51 122.55 1g69 h ILE 1171Ca 0.06 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1g69 h ILE 1171Cb 0.90 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1g69 h ILE 1171CO 0.08 0.06 0.24 -0.33 0.00 0.00 0.00 178.15 178.20 1g69 h GLU 1172N 0.32 0.68 -0.55 2.37 5.08 -1.05 -2.27 114.58 119.16 1g69 h GLU 1172Ca 0.11 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1g69 h GLU 1172Cb 0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1g69 h GLU 1172CO -0.06 0.56 0.31 0.00 -1.00 0.00 0.00 179.01 178.81 1g69 h ALA 1173N 1.09 0.71 -0.31 3.43 0.00 -0.87 0.11 119.26 123.42 1g69 h ALA 1173Ca 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1g69 h ALA 1173Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1g69 h ALA 1173CO -0.02 0.23 0.19 0.28 0.00 0.00 0.00 179.25 179.92 1g69 h VAL 1174N 0.74 1.05 -0.23 0.00 2.07 -0.94 -2.20 116.25 116.76 1g69 h VAL 1174Ca 0.20 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 1g69 h VAL 1174Cb 0.04 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1g69 h VAL 1174CO -0.03 0.07 -0.40 0.03 0.02 0.00 0.00 177.57 177.26 1g69 h ARG 1175N 0.39 0.53 -0.16 1.57 2.47 -1.20 -2.48 114.38 115.50 1g69 h ARG 1175Ca 0.12 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 1g69 h ARG 1175Cb -0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1g69 h ARG 1175CO -0.04 0.84 0.06 0.00 0.56 0.00 0.00 179.97 181.38 1g69 h ARG 1176N 0.44 0.21 -0.04 0.04 3.08 -0.39 -1.20 114.38 116.51 1g69 h ARG 1176Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1g69 h ARG 1176Cb 0.88 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1g69 h ARG 1176CO 0.08 0.19 0.00 1.04 -1.07 0.00 0.00 179.97 180.20 1g69 n GLN 1177N -4.46 1.31 -0.92 0.04 6.02 -0.86 -4.91 117.38 113.58 1g69 n GLN 1177Ca -0.01 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 1g69 n GLN 1177Cb 0.12 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1g69 n GLN 1177CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g69 n GLY 1178N 1.00 0.50 3.67 1.08 0.00 -0.45 -5.02 105.19 105.97 1g69 n GLY 1178Ca 0.18 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1g69 n GLY 1178CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g69 s ILE 1179N -2.00 4.75 -1.57 -0.61 1.01 -0.96 -4.93 121.20 116.88 1g69 s ILE 1179Ca 0.00 2.01 0.19 0.00 0.00 0.00 0.00 60.65 62.85 1g69 s ILE 1179Cb 0.00 -4.30 0.56 0.00 0.01 0.00 0.00 42.46 38.72 1g69 s ILE 1179CO 0.00 -0.07 1.47 -1.20 0.00 0.00 0.00 174.94 175.14 1g69 n SER 1180N 5.56 3.74 -4.71 3.58 7.64 -1.26 -4.38 113.62 123.80 1g69 n SER 1180Ca 0.10 -2.06 -0.41 0.00 1.01 0.00 0.00 58.87 57.52 1g69 n SER 1180Cb 0.48 -0.43 0.02 0.00 -1.01 0.00 0.00 64.21 63.26 1g69 n SER 1180CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g69 n ILE 1181N 1.25 2.68 -1.74 0.44 3.06 -1.26 -4.88 119.36 118.90 1g69 n ILE 1181Ca 0.21 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.54 1g69 n ILE 1181Cb 0.60 -1.58 -0.02 0.00 0.54 0.00 0.00 39.64 39.17 1g69 n ILE 1181CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1g69 n PRO 1182N -0.06 2.74 -4.83 9.51 -0.02 -1.26 -4.91 135.00 136.17 1g69 n PRO 1182Ca 0.07 0.98 -0.26 0.00 -2.02 0.00 0.00 63.50 62.27 1g69 n PRO 1182Cb 0.40 -2.78 -0.16 0.00 -0.02 0.00 0.00 33.50 30.94 1g69 n PRO 1182CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1g69 s ILE 1183N 0.25 1.41 -0.04 4.25 1.01 -1.26 -1.70 121.20 125.11 1g69 s ILE 1183Ca 0.66 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1g69 s ILE 1183Cb -0.49 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1g69 s ILE 1183CO 0.45 0.41 -0.14 0.54 0.00 0.00 0.00 174.94 176.19 1g69 s VAL 1184N -0.07 1.22 0.28 2.92 0.11 -0.75 0.12 120.40 124.23 1g69 s VAL 1184Ca -0.01 -0.59 -0.08 0.00 -2.93 0.00 0.00 61.98 58.37 1g69 s VAL 1184Cb -0.10 -1.07 -0.06 0.00 -1.53 0.00 0.00 36.38 33.62 1g69 s VAL 1184CO 0.01 0.36 0.59 -0.83 -3.33 0.00 0.00 175.10 171.91 1g69 s GLY 1185N 0.19 2.08 -0.02 6.54 0.00 -0.91 -0.93 107.32 114.27 1g69 s GLY 1185Ca -0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 44.72 44.18 1g69 s GLY 1185CO 0.02 -0.22 0.28 -1.50 0.00 0.00 0.00 173.10 171.68 1g69 s ILE 1186N -2.00 0.05 0.00 0.90 2.07 -0.37 -0.69 121.20 121.16 1g69 s ILE 1186Ca 0.47 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 1g69 s ILE 1186Cb -0.11 -0.55 0.00 0.00 0.13 0.00 0.00 42.46 41.93 1g69 s ILE 1186CO 0.26 -0.25 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1g69 n GLY 1187N 1.52 1.96 2.42 1.50 0.00 -1.26 -0.89 105.19 110.45 1g69 n GLY 1187Ca -0.21 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 1g69 n GLY 1187CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g69 n GLY 1188N 0.43 0.37 3.71 -0.02 0.00 -1.25 -1.40 105.19 107.03 1g69 n GLY 1188Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1g69 n GLY 1188CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g69 s ILE 1189N -2.81 4.89 0.40 -0.61 1.01 -1.26 -4.79 121.20 118.03 1g69 s ILE 1189Ca 0.00 1.88 0.04 0.00 0.00 0.00 0.00 60.65 62.57 1g69 s ILE 1189Cb 0.00 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1g69 s ILE 1189CO 0.00 0.20 0.05 0.42 0.00 0.00 0.00 174.94 175.61 1g69 s THR 1190N 0.86 1.21 0.42 2.92 -4.23 -1.26 -4.60 115.64 110.96 1g69 s THR 1190Ca 0.47 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.19 1g69 s THR 1190Cb -0.20 -2.60 0.23 0.00 1.34 0.00 0.00 72.50 71.27 1g69 s THR 1190CO 0.25 0.00 2.01 0.40 -0.54 0.00 0.00 174.62 176.74 1g69 h ILE 1191N 1.81 0.87 0.00 2.99 2.04 -1.96 -1.73 117.51 121.54 1g69 h ILE 1191Ca -0.41 -0.65 -0.18 0.00 1.00 0.00 0.00 64.86 64.62 1g69 h ILE 1191Cb 1.27 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1g69 h ILE 1191CO 0.70 0.17 -0.86 0.44 0.00 0.00 0.00 178.15 178.59 1g69 h ASP 1192N 0.00 0.02 -0.18 1.72 3.32 -2.00 -3.34 116.42 115.97 1g69 h ASP 1192Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1g69 h ASP 1192Cb 0.37 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1g69 h ASP 1192CO 0.02 0.88 0.00 -0.46 -1.72 0.00 0.00 179.24 177.96 1g69 n ASN 1193N -3.53 2.85 -0.04 6.45 0.23 -1.06 -4.72 115.26 115.45 1g69 n ASN 1193Ca -0.01 -2.44 -0.15 0.00 -0.53 0.00 0.00 54.58 51.45 1g69 n ASN 1193Cb 0.82 -0.29 -0.08 0.00 -2.08 0.00 0.00 39.78 38.15 1g69 n ASN 1193CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1g69 h ALA 1194N 1.14 0.20 -0.70 -2.53 0.00 -1.44 -3.35 119.26 112.57 1g69 h ALA 1194Ca 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.59 1g69 h ALA 1194Cb 0.90 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 1g69 h ALA 1194CO 0.06 0.30 -0.19 0.00 0.00 0.00 0.00 179.25 179.42 1g69 h ALA 1195N 0.49 0.44 -0.62 0.00 0.00 -1.84 -0.66 119.26 117.07 1g69 h ALA 1195Ca -0.02 0.27 0.14 0.00 0.00 0.00 0.00 54.91 55.30 1g69 h ALA 1195Cb 1.02 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1g69 h ALA 1195CO 0.08 -0.43 0.43 -1.35 0.00 0.00 0.00 179.25 177.98 1g69 h PRO 1196N -0.01 0.23 -0.53 0.00 0.11 -1.93 -0.13 132.00 129.74 1g69 h PRO 1196Ca 0.34 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.38 1g69 h PRO 1196Cb 0.52 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1g69 h PRO 1196CO -0.73 0.15 0.12 0.28 -0.21 0.00 0.00 178.00 177.61 1g69 h VAL 1197N 0.23 1.25 -0.28 3.15 2.07 -1.30 -0.71 116.25 120.66 1g69 h VAL 1197Ca 0.30 -0.88 -0.14 0.00 0.82 0.00 0.00 66.70 66.80 1g69 h VAL 1197Cb 0.86 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1g69 h VAL 1197CO -0.06 0.32 -0.35 0.40 0.02 0.00 0.00 177.57 177.90 1g69 h ILE 1198N 0.74 1.30 -0.33 4.57 1.08 -1.17 -2.50 117.51 121.20 1g69 h ILE 1198Ca 0.16 -1.54 -0.00 0.00 -0.39 0.00 0.00 64.86 63.09 1g69 h ILE 1198Cb 0.35 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 1g69 h ILE 1198CO 0.00 0.49 0.19 1.56 -0.69 0.00 0.00 178.15 179.70 1g69 h GLN 1199N 0.48 0.44 0.00 2.37 4.20 -0.87 -0.62 115.11 121.11 1g69 h GLN 1199Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1g69 h GLN 1199Cb 0.94 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1g69 h GLN 1199CO 0.08 0.32 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 1g69 h ALA 1200N 1.75 1.00 0.00 3.87 0.00 -1.03 -3.46 119.26 121.40 1g69 h ALA 1200Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1g69 h ALA 1200Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1g69 h ALA 1200CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1g69 n GLY 1201N -0.06 0.75 3.77 0.00 0.00 -0.24 -4.06 105.19 105.36 1g69 n GLY 1201Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1g69 n GLY 1201CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g69 s ALA 1202N -1.57 2.46 -2.70 4.61 0.00 -0.95 -4.86 121.76 118.75 1g69 s ALA 1202Ca 0.00 0.51 0.25 0.00 0.00 0.00 0.00 51.96 52.73 1g69 s ALA 1202Cb 0.00 -3.31 0.52 0.00 0.00 0.00 0.00 23.12 20.33 1g69 s ALA 1202CO 0.00 -1.30 1.44 -0.25 0.00 0.00 0.00 175.76 175.64 1g69 n ASP 1203N -2.51 2.30 0.00 0.00 9.92 0.12 -4.54 116.55 121.83 1g69 n ASP 1203Ca 0.10 -1.74 0.00 0.00 -0.53 0.00 0.00 54.79 52.62 1g69 n ASP 1203Cb 0.52 0.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 1g69 n ASP 1203CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g69 n GLY 1204N 1.29 -0.40 3.21 0.44 0.00 -1.18 -3.46 105.19 105.09 1g69 n GLY 1204Ca 0.15 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 1g69 n GLY 1204CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g69 s VAL 1205N -2.00 1.44 0.09 1.61 -7.23 -0.70 -2.13 120.40 111.47 1g69 s VAL 1205Ca 0.00 -1.19 0.10 0.00 -1.81 0.00 0.00 61.98 59.08 1g69 s VAL 1205Cb 0.00 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1g69 s VAL 1205CO 0.00 0.06 -0.27 -0.55 -0.31 0.00 0.00 175.10 174.04 1g69 s SER 1206N -1.32 3.22 0.11 4.85 0.15 0.13 -0.87 113.70 119.97 1g69 s SER 1206Ca 0.05 -0.67 -0.19 0.00 0.70 0.00 0.00 55.95 55.83 1g69 s SER 1206Cb -0.09 -0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.02 1g69 s SER 1206CO 0.02 0.22 0.47 0.00 1.20 0.00 0.00 173.24 175.15 1g69 s MET 1207N -1.65 1.11 0.00 5.44 0.23 -0.86 -4.30 119.30 119.27 1g69 s MET 1207Ca 0.13 -0.54 0.00 0.00 -1.03 0.00 0.00 55.69 54.25 1g69 s MET 1207Cb -0.10 0.50 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 1g69 s MET 1207CO 0.04 -0.44 0.00 -0.89 -2.03 0.00 0.00 175.02 171.70 1g69 n ILE 1208N -0.10 0.00 -0.27 3.16 5.41 -1.26 -1.70 119.36 124.60 1g69 n ILE 1208Ca -0.17 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.68 1g69 n ILE 1208Cb 0.63 -0.55 0.34 0.00 -0.71 0.00 0.00 39.64 39.35 1g69 n ILE 1208CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1g69 h SER 1209N 0.00 0.73 -0.50 4.38 4.64 -1.88 0.36 113.55 121.27 1g69 h SER 1209Ca 0.00 0.03 0.15 0.00 -0.47 0.00 0.00 61.79 61.50 1g69 h SER 1209Cb 0.00 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1g69 h SER 1209CO 0.00 0.40 0.43 0.00 -0.87 0.00 0.00 176.83 176.79 1g69 h ALA 1210N 1.58 2.35 0.00 5.18 0.00 -1.90 -1.45 119.26 125.01 1g69 h ALA 1210Ca 0.43 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 1g69 h ALA 1210Cb 0.55 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1g69 h ALA 1210CO -0.19 -0.69 -1.79 -0.89 0.00 0.00 0.00 179.25 175.70 1g69 n ILE 1211N -4.06 0.78 0.25 0.00 5.41 -0.87 -4.25 119.36 116.63 1g69 n ILE 1211Ca 0.09 -0.24 0.09 0.00 1.00 0.00 0.00 62.75 63.69 1g69 n ILE 1211Cb 0.64 -1.38 0.66 0.00 -0.71 0.00 0.00 39.64 38.84 1g69 n ILE 1211CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1g69 h SER 1212N -0.29 0.00 -0.32 4.38 4.64 -0.89 -2.58 113.55 118.49 1g69 h SER 1212Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1g69 h SER 1212Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1g69 h SER 1212CO -0.15 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 1g69 n GLN 1213N -4.14 2.89 -2.63 4.77 6.02 -0.55 -4.61 117.38 119.13 1g69 n GLN 1213Ca -0.03 -2.23 -0.34 0.00 -0.01 0.00 0.00 57.00 54.40 1g69 n GLN 1213Cb 0.18 -1.40 -0.05 0.00 1.02 0.00 0.00 30.24 29.99 1g69 n GLN 1213CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g69 s ALA 1214N -1.43 2.94 0.34 -1.58 0.00 -0.97 -4.94 121.76 116.12 1g69 s ALA 1214Ca 0.27 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.86 1g69 s ALA 1214Cb 0.17 -3.22 0.63 0.00 0.00 0.00 0.00 23.12 20.70 1g69 s ALA 1214CO 0.14 -0.17 1.83 0.93 0.00 0.00 0.00 175.76 178.49 1g69 h GLU 1215N 1.73 0.29 -2.89 0.00 5.08 -1.94 -3.33 114.58 113.52 1g69 h GLU 1215Ca -0.49 -0.09 -0.61 0.00 -1.00 0.00 0.00 59.36 57.17 1g69 h GLU 1215Cb 1.21 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 30.03 1g69 h GLU 1215CO 0.60 0.50 -0.74 0.34 -1.00 0.00 0.00 179.01 178.71 1g69 s ASP 1216N -6.86 3.53 0.35 1.42 -1.08 -1.26 -4.99 116.67 107.80 1g69 s ASP 1216Ca -0.06 -3.15 0.07 0.00 -0.52 0.00 0.00 52.55 48.89 1g69 s ASP 1216Cb 0.15 -1.12 0.75 0.00 -1.46 0.00 0.00 42.92 41.24 1g69 s ASP 1216CO 0.75 -0.18 1.92 -0.65 0.52 0.00 0.00 175.17 177.53 1g69 h PRO 1217N 6.02 0.73 0.14 4.34 0.11 -1.78 -0.79 132.00 140.77 1g69 h PRO 1217Ca 0.10 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1g69 h PRO 1217Cb 0.86 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1g69 h PRO 1217CO 0.54 0.48 -0.07 1.49 -0.21 0.00 0.00 178.00 180.24 1g69 h GLU 1218N 0.75 -0.18 -0.35 1.05 4.81 -1.91 -0.67 114.58 118.08 1g69 h GLU 1218Ca 0.38 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.55 1g69 h GLU 1218Cb 0.45 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1g69 h GLU 1218CO -0.15 -0.04 -0.06 0.66 -0.73 0.00 0.00 179.01 178.69 1g69 h SER 1219N -0.27 0.55 -0.40 1.04 4.64 -1.79 -0.83 113.55 116.49 1g69 h SER 1219Ca -0.02 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1g69 h SER 1219Cb 0.22 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1g69 h SER 1219CO 0.03 0.67 0.25 0.00 -0.87 0.00 0.00 176.83 176.91 1g69 h ALA 1220N 1.39 0.51 -0.60 5.18 0.00 -0.90 0.10 119.26 124.95 1g69 h ALA 1220Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1g69 h ALA 1220Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1g69 h ALA 1220CO 0.02 -0.00 0.23 0.00 0.00 0.00 0.00 179.25 179.50 1g69 h ALA 1221N 1.11 0.78 -0.48 0.00 0.00 -0.72 -1.56 119.26 118.39 1g69 h ALA 1221Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1g69 h ALA 1221Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1g69 h ALA 1221CO -0.03 0.41 0.26 -0.09 0.00 0.00 0.00 179.25 179.79 1g69 h ARG 1222N 0.83 0.67 -0.81 0.00 2.43 -0.65 0.08 114.38 116.94 1g69 h ARG 1222Ca 0.20 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1g69 h ARG 1222Cb 0.22 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1g69 h ARG 1222CO -0.01 0.54 0.46 0.87 -1.51 0.00 0.00 179.97 180.31 1g69 h LYS 1223N 0.63 1.12 -0.14 0.20 1.57 -0.62 -0.42 116.57 118.93 1g69 h LYS 1223Ca 0.17 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1g69 h LYS 1223Cb 0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1g69 h LYS 1223CO -0.03 0.82 0.07 0.74 -0.57 0.00 0.00 179.45 180.49 1g69 h PHE 1224N 1.12 0.20 -0.45 -1.35 -1.00 -0.85 -1.69 116.94 112.92 1g69 h PHE 1224Ca 0.29 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.11 1g69 h PHE 1224Cb 0.01 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 39.47 1g69 h PHE 1224CO 0.00 0.22 0.19 -0.09 -1.61 0.00 0.00 178.31 177.02 1g69 h ARG 1225N 0.11 0.38 -0.46 1.51 9.65 -0.47 0.18 114.38 125.28 1g69 h ARG 1225Ca 0.05 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1g69 h ARG 1225Cb 0.09 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 1g69 h ARG 1225CO -0.01 0.25 0.18 0.93 2.80 0.00 0.00 179.97 184.12 1g69 h GLU 1226N 0.39 0.69 -0.26 0.20 5.08 -0.98 -1.30 114.58 118.41 1g69 h GLU 1226Ca 0.21 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1g69 h GLU 1226Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1g69 h GLU 1226CO -0.18 0.64 0.09 1.49 -1.00 0.00 0.00 179.01 180.05 1g69 h GLU 1227N 0.60 0.39 -0.46 2.33 4.57 -0.91 -1.73 114.58 119.37 1g69 h GLU 1227Ca 0.15 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1g69 h GLU 1227Cb 0.21 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1g69 h GLU 1227CO -0.01 0.44 0.10 0.82 -1.18 0.00 0.00 179.01 179.18 1g69 h ILE 1228N 0.25 1.24 -0.50 2.32 1.08 -0.90 -2.55 117.51 118.45 1g69 h ILE 1228Ca 0.08 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 1g69 h ILE 1228Cb 0.21 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 1g69 h ILE 1228CO -0.00 0.30 0.32 1.56 -0.69 0.00 0.00 178.15 179.64 1g69 h GLN 1229N 0.62 0.67 -0.56 2.37 4.20 -1.18 -0.72 115.11 120.50 1g69 h GLN 1229Ca 0.14 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1g69 h GLN 1229Cb 0.34 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 1g69 h GLN 1229CO 0.00 0.45 0.29 1.15 -0.67 0.00 0.00 178.83 180.05 1g69 h THR 1230N 0.68 0.94 0.00 -0.54 2.02 -1.15 -2.32 112.91 112.55 1g69 h THR 1230Ca 0.18 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1g69 h THR 1230Cb -0.06 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1g69 h THR 1230CO -0.04 0.10 -0.04 1.88 0.37 0.00 0.00 175.52 177.79 1g69 h TYR 1231N 0.54 0.00 0.00 3.16 -1.99 -1.13 -3.15 116.97 114.40 1g69 h TYR 1231Ca 0.25 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.92 1g69 h TYR 1231Cb 0.17 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 1g69 h TYR 1231CO -0.10 0.04 -0.31 0.87 -0.00 0.00 0.00 178.16 178.66 1g69 h LYS 1232N 0.00 0.00 0.00 4.88 1.57 -0.61 -2.95 116.57 119.46 1g69 h LYS 1232Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1g69 h LYS 1232Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1g69 h LYS 1232CO 0.01 0.31 -0.05 1.79 -0.57 0.00 0.00 179.45 180.94 1g69 h THR 1233N 0.00 0.00 -0.15 -0.16 1.35 -1.41 -3.29 112.91 109.25 1g69 h THR 1233Ca -0.00 -0.51 -0.05 0.00 -0.55 0.00 0.00 66.41 65.29 1g69 h THR 1233Cb 1.14 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 1g69 h THR 1233CO 0.04 0.00 0.07 0.61 -0.25 0.00 0.00 175.52 175.99 1g69 n GLY 1234N 1.30 2.16 0.00 5.82 0.00 -1.11 -5.13 105.19 108.23 1g69 n GLY 1234Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1g69 n GLY 1234CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36