#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqb s LYS 1015N 0.00 3.59 0.67 0.00 2.47 -1.26 -5.09 119.74 120.13 2nqb s LYS 1015Ca 0.00 -0.02 -0.13 0.00 -1.56 0.00 0.00 55.97 54.26 2nqb s LYS 1015Cb 0.00 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 33.24 2nqb s LYS 1015CO 0.00 0.69 1.08 -1.54 0.16 0.00 0.00 175.35 175.75 2nqb s SER 1016N -1.41 5.21 0.34 1.43 1.04 -1.26 -4.91 113.70 114.15 2nqb s SER 1016Ca 0.23 1.84 0.08 0.00 0.48 0.00 0.00 55.95 58.59 2nqb s SER 1016Cb -0.13 -2.53 0.63 0.00 0.10 0.00 0.00 66.02 64.09 2nqb s SER 1016CO 0.12 -1.56 1.82 0.03 0.98 0.00 0.00 173.24 174.64 2nqb h ARG 1017N -0.24 0.26 -0.19 4.02 3.08 -1.98 -1.73 114.38 117.60 2nqb h ARG 1017Ca -0.46 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.51 2nqb h ARG 1017Cb 1.23 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2nqb h ARG 1017CO 0.55 0.49 0.10 0.77 -1.07 0.00 0.00 179.97 180.81 2nqb h SER 1018N 0.23 0.23 -0.74 7.04 0.02 -1.85 0.68 113.55 119.17 2nqb h SER 1018Ca 0.04 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2nqb h SER 1018Cb 0.56 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2nqb h SER 1018CO 0.04 0.25 0.31 0.78 -1.14 0.00 0.00 176.83 177.06 2nqb h ASN 1019N 0.20 1.01 -0.96 3.07 2.35 -1.66 0.52 115.58 120.10 2nqb h ASN 1019Ca 0.07 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2nqb h ASN 1019Cb 0.07 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 2nqb h ASN 1019CO -0.01 0.90 0.64 -0.09 -1.65 0.00 0.00 177.43 177.22 2nqb h ARG 1020N 1.06 1.26 -0.00 0.81 2.43 -0.90 -0.19 114.38 118.86 2nqb h ARG 1020Ca 0.25 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2nqb h ARG 1020Cb 0.19 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2nqb h ARG 1020CO -0.02 0.84 -0.24 0.00 -1.51 0.00 0.00 179.97 179.04 2nqb n ALA 1021N -2.39 2.98 -2.89 2.80 0.00 0.20 -4.94 120.51 116.27 2nqb n ALA 1021Ca 0.11 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2nqb n ALA 1021Cb 0.02 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.25 2nqb n ALA 1021CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nqb n GLY 1022N 1.39 0.26 3.35 0.00 0.00 0.12 -5.05 105.19 105.27 2nqb n GLY 1022Ca 0.10 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2nqb n GLY 1022CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nqb s LEU 1023N -3.74 2.48 -0.16 0.99 1.43 0.14 -4.99 118.68 114.83 2nqb s LEU 1023Ca 0.20 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 2nqb s LEU 1023Cb -0.09 -0.56 -0.23 0.00 0.03 0.00 0.00 46.19 45.35 2nqb s LEU 1023CO 0.31 -0.29 0.20 0.00 0.23 0.00 0.00 176.35 176.80 2nqb n GLN 1024N -0.42 0.69 -2.01 1.70 1.13 -1.26 -4.11 117.38 113.10 2nqb n GLN 1024Ca -0.07 0.19 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 2nqb n GLN 1024Cb 0.62 -1.64 -0.01 0.00 0.11 0.00 0.00 30.24 29.31 2nqb n GLN 1024CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2nqb s PHE 1025N -2.54 2.90 -0.74 1.08 0.40 -1.26 -4.91 117.98 112.90 2nqb s PHE 1025Ca -0.21 1.32 -0.26 0.00 -0.60 0.00 0.00 56.93 57.19 2nqb s PHE 1025Cb 0.07 -3.79 -0.06 0.00 0.51 0.00 0.00 43.02 39.75 2nqb s PHE 1025CO 0.74 -2.24 2.07 -1.25 0.70 0.00 0.00 175.22 175.24 2nqb s PRO 1026N -1.84 2.33 0.29 0.24 0.04 -1.26 -4.74 135.00 130.06 2nqb s PRO 1026Ca 0.50 0.35 -0.03 0.00 0.04 0.00 0.00 61.00 61.86 2nqb s PRO 1026Cb -0.42 -4.75 0.41 0.00 0.04 0.00 0.00 34.50 29.78 2nqb s PRO 1026CO 0.56 -3.38 1.96 0.28 0.04 0.00 0.00 177.00 176.45 2nqb h VAL 1027N 7.29 1.22 -0.55 -0.36 2.07 -1.91 0.19 116.25 124.21 2nqb h VAL 1027Ca -0.07 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 2nqb h VAL 1027Cb 1.09 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2nqb h VAL 1027CO 1.17 0.22 -0.02 1.23 0.02 0.00 0.00 177.57 180.18 2nqb h GLY 1028N 1.16 1.03 0.62 2.17 0.00 -1.94 -0.68 103.07 105.43 2nqb h GLY 1028Ca 0.31 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2nqb h GLY 1028CO -0.07 0.69 -0.13 -0.09 0.00 0.00 0.00 176.54 176.95 2nqb h ARG 1029N 0.87 0.22 -0.82 4.80 2.43 -1.81 -2.49 114.38 117.58 2nqb h ARG 1029Ca 0.16 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 2nqb h ARG 1029Cb 0.55 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 2nqb h ARG 1029CO 0.03 0.71 0.46 0.82 -1.51 0.00 0.00 179.97 180.48 2nqb h ILE 1030N -0.25 0.89 -0.10 1.20 1.08 -0.90 -0.14 117.51 119.29 2nqb h ILE 1030Ca 0.01 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 2nqb h ILE 1030Cb 0.69 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 2nqb h ILE 1030CO 0.03 0.14 -0.01 -0.74 -0.69 0.00 0.00 178.15 176.87 2nqb h HIS 1031N 0.77 -0.03 -0.79 1.37 2.76 -1.09 -0.12 115.15 118.02 2nqb h HIS 1031Ca 0.40 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.57 2nqb h HIS 1031Cb 0.38 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.34 2nqb h HIS 1031CO -0.07 -0.03 0.45 -0.09 -1.30 0.00 0.00 177.93 176.89 2nqb h ARG 1032N 0.02 1.10 -0.74 5.26 2.43 -0.87 -1.31 114.38 120.27 2nqb h ARG 1032Ca 0.05 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2nqb h ARG 1032Cb 0.07 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 2nqb h ARG 1032CO -0.10 0.80 0.22 -0.07 -1.51 0.00 0.00 179.97 179.31 2nqb h LEU 1033N 1.10 1.09 -0.47 3.80 3.38 -0.64 -1.68 115.31 121.90 2nqb h LEU 1033Ca 0.28 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2nqb h LEU 1033Cb 0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2nqb h LEU 1033CO -0.05 1.02 0.08 -0.07 0.09 0.00 0.00 178.44 179.51 2nqb h LEU 1034N 1.11 0.74 -0.76 1.67 3.38 -0.54 -2.00 115.31 118.90 2nqb h LEU 1034Ca 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2nqb h LEU 1034Cb 0.33 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2nqb h LEU 1034CO -0.00 0.81 0.43 0.03 0.09 0.00 0.00 178.44 179.79 2nqb h ARG 1035N 0.64 1.06 -0.51 1.13 3.08 -0.99 -3.06 114.38 115.72 2nqb h ARG 1035Ca 0.14 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2nqb h ARG 1035Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2nqb h ARG 1035CO 0.01 0.78 0.00 1.63 -1.07 0.00 0.00 179.97 181.31 2nqb n LYS 1036N -4.46 2.39 -0.24 0.04 5.02 -0.65 -4.19 118.16 116.07 2nqb n LYS 1036Ca 0.07 -2.14 0.10 0.00 -2.02 0.00 0.00 58.31 54.32 2nqb n LYS 1036Cb 0.08 -1.48 0.26 0.00 -0.02 0.00 0.00 35.03 33.87 2nqb n LYS 1036CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nqb n GLY 1037N 1.46 1.55 3.51 0.72 0.00 -0.76 -4.96 105.19 106.70 2nqb n GLY 1037Ca 0.20 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 2nqb n GLY 1037CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nqb n ASN 1038N 1.17 -5.72 -0.08 1.61 4.13 -1.26 -4.93 115.26 110.19 2nqb n ASN 1038Ca 0.19 -0.89 -0.08 0.00 1.68 0.00 0.00 54.58 55.48 2nqb n ASN 1038Cb 0.50 -4.15 -0.11 0.00 -1.54 0.00 0.00 39.78 34.48 2nqb n ASN 1038CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2nqb n TYR 1039N -3.80 0.00 -3.59 3.10 4.02 -1.26 -5.07 117.16 110.56 2nqb n TYR 1039Ca -0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.75 2nqb n TYR 1039Cb 0.61 -0.72 -0.02 0.00 -0.02 0.00 0.00 39.34 39.19 2nqb n TYR 1039CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2nqb s ALA 1040N -2.36 -1.92 0.42 -0.72 0.00 -1.26 -5.03 121.76 110.88 2nqb s ALA 1040Ca -0.11 0.98 0.11 0.00 0.00 0.00 0.00 51.96 52.94 2nqb s ALA 1040Cb 0.05 0.30 0.90 0.00 0.00 0.00 0.00 23.12 24.36 2nqb s ALA 1040CO 0.56 -0.78 1.97 0.93 0.00 0.00 0.00 175.76 178.45 2nqb h GLU 1041N 2.00 0.18 -4.31 0.00 4.39 -1.97 -3.44 114.58 111.42 2nqb h GLU 1041Ca -0.20 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.24 2nqb h GLU 1041Cb 1.21 -0.03 -0.21 0.00 -0.10 0.00 0.00 28.75 29.62 2nqb h GLU 1041CO 0.27 0.29 -0.72 1.03 -1.16 0.00 0.00 179.01 178.72 2nqb s ARG 1042N -4.81 0.44 -0.15 2.33 0.52 -1.26 -5.13 118.95 110.88 2nqb s ARG 1042Ca -0.05 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2nqb s ARG 1042Cb 0.16 -0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.54 2nqb s ARG 1042CO 0.72 0.01 -0.09 0.08 0.02 0.00 0.00 175.30 176.03 2nqb s VAL 1043N -1.44 1.27 0.83 3.52 1.01 -1.26 -5.09 120.40 119.25 2nqb s VAL 1043Ca -0.12 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 2nqb s VAL 1043Cb -0.10 -1.32 0.10 0.00 0.00 0.00 0.00 36.38 35.06 2nqb s VAL 1043CO -0.00 0.29 1.13 -0.83 0.00 0.00 0.00 175.10 175.69 2nqb s GLY 1044N 1.59 1.76 0.35 4.51 0.00 -1.26 -4.93 107.32 109.33 2nqb s GLY 1044Ca 0.03 0.49 0.05 0.00 0.00 0.00 0.00 44.72 45.28 2nqb s GLY 1044CO -0.09 0.88 1.92 0.00 0.00 0.00 0.00 173.10 175.81 2nqb h ALA 1045N -1.39 1.44 0.00 3.20 0.00 -2.04 -3.05 119.26 117.42 2nqb h ALA 1045Ca -0.44 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 2nqb h ALA 1045Cb 1.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2nqb h ALA 1045CO 0.46 0.41 -0.53 0.78 0.00 0.00 0.00 179.25 180.37 2nqb h GLY 1046N 0.78 0.00 0.36 0.00 0.00 -2.01 -3.36 103.07 98.85 2nqb h GLY 1046Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.53 2nqb h GLY 1046CO -0.00 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.58 2nqb h ALA 1047N 1.47 0.45 0.00 3.60 0.00 -1.91 -0.25 119.26 122.62 2nqb h ALA 1047Ca -0.01 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2nqb h ALA 1047Cb 1.30 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2nqb h ALA 1047CO 0.07 -0.35 -0.27 -1.00 0.00 0.00 0.00 179.25 177.70 2nqb h PRO 1048N 0.17 0.00 -0.04 0.00 0.13 -1.74 -0.87 132.00 129.65 2nqb h PRO 1048Ca 0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.33 2nqb h PRO 1048Cb 0.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.43 2nqb h PRO 1048CO -0.32 0.27 -0.06 0.28 -0.23 0.00 0.00 178.00 177.93 2nqb h VAL 1049N 0.00 1.41 -0.07 1.56 2.07 -1.40 0.31 116.25 120.13 2nqb h VAL 1049Ca -0.00 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 2nqb h VAL 1049Cb 0.62 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2nqb h VAL 1049CO 0.03 0.35 0.04 0.22 0.02 0.00 0.00 177.57 178.24 2nqb h TYR 1050N -0.38 0.09 -0.49 1.57 3.20 -0.96 -1.99 116.97 118.01 2nqb h TYR 1050Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2nqb h TYR 1050Cb 0.60 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2nqb h TYR 1050CO 0.11 0.12 0.30 1.25 -1.64 0.00 0.00 178.16 178.29 2nqb h LEU 1051N 0.04 0.58 -0.81 2.82 5.85 -1.18 -1.50 115.31 121.12 2nqb h LEU 1051Ca 0.02 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2nqb h LEU 1051Cb 0.05 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2nqb h LEU 1051CO -0.00 0.46 0.52 0.00 -0.34 0.00 0.00 178.44 179.08 2nqb h ALA 1052N 1.15 1.05 -0.36 1.25 0.00 -0.81 -1.31 119.26 120.22 2nqb h ALA 1052Ca 0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2nqb h ALA 1052Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2nqb h ALA 1052CO -0.03 0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.46 2nqb h ALA 1053N 1.32 1.10 -0.42 0.00 0.00 -0.88 -1.26 119.26 119.12 2nqb h ALA 1053Ca 0.31 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2nqb h ALA 1053Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2nqb h ALA 1053CO -0.10 0.56 -0.20 0.28 0.00 0.00 0.00 179.25 179.79 2nqb h VAL 1054N 0.58 1.28 -0.72 0.00 2.07 -0.74 -0.70 116.25 118.03 2nqb h VAL 1054Ca 0.10 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 2nqb h VAL 1054Cb 0.56 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2nqb h VAL 1054CO 0.04 0.45 0.23 0.24 0.02 0.00 0.00 177.57 178.55 2nqb h MET 1055N 0.69 1.11 0.10 1.57 2.86 -1.08 -0.52 114.93 119.66 2nqb h MET 1055Ca 0.09 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2nqb h MET 1055Cb 0.76 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2nqb h MET 1055CO 0.06 0.95 -0.05 1.49 1.06 0.00 0.00 176.91 180.42 2nqb h GLU 1056N 1.06 -0.12 -0.56 1.72 4.81 -1.08 -1.14 114.58 119.26 2nqb h GLU 1056Ca 0.23 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 2nqb h GLU 1056Cb 0.29 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 2nqb h GLU 1056CO -0.01 0.11 0.30 -0.92 -0.73 0.00 0.00 179.01 177.76 2nqb h TYR 1057N -0.34 0.56 -0.73 0.92 3.20 -0.98 0.11 116.97 119.71 2nqb h TYR 1057Ca -0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 2nqb h TYR 1057Cb 0.29 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2nqb h TYR 1057CO -0.00 0.28 0.24 -0.07 -1.64 0.00 0.00 178.16 176.97 2nqb h LEU 1058N 0.58 1.03 -0.66 2.82 3.38 -0.97 0.07 115.31 121.56 2nqb h LEU 1058Ca 0.25 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2nqb h LEU 1058Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2nqb h LEU 1058CO -0.15 0.95 0.17 0.00 0.09 0.00 0.00 178.44 179.49 2nqb h ALA 1059N 1.19 0.87 0.03 1.53 0.00 -0.70 -2.10 119.26 120.08 2nqb h ALA 1059Ca 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nqb h ALA 1059Cb 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2nqb h ALA 1059CO -0.01 0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.81 2nqb h ALA 1060N 1.07 -0.03 -0.49 0.00 0.00 -0.11 -1.16 119.26 118.54 2nqb h ALA 1060Ca 0.21 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2nqb h ALA 1060Cb 0.36 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2nqb h ALA 1060CO 0.00 -0.49 0.01 1.49 0.00 0.00 0.00 179.25 180.26 2nqb h GLU 1061N -0.09 0.12 -0.33 0.00 4.57 -0.80 0.09 114.58 118.14 2nqb h GLU 1061Ca -0.00 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2nqb h GLU 1061Cb 0.08 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2nqb h GLU 1061CO 0.01 0.08 -0.13 0.28 -1.18 0.00 0.00 179.01 178.06 2nqb h VAL 1062N 0.12 1.29 -0.40 0.32 2.07 -1.22 -2.87 116.25 115.56 2nqb h VAL 1062Ca 0.25 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2nqb h VAL 1062Cb 0.37 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2nqb h VAL 1062CO -0.40 0.40 0.03 -0.07 0.02 0.00 0.00 177.57 177.54 2nqb h LEU 1063N 0.44 0.59 0.16 2.57 3.38 -0.74 0.87 115.31 122.57 2nqb h LEU 1063Ca 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2nqb h LEU 1063Cb 0.65 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2nqb h LEU 1063CO 0.04 0.64 -0.08 -0.08 0.09 0.00 0.00 178.44 179.06 2nqb h GLU 1064N 0.60 -0.20 -0.43 1.13 4.57 -0.96 0.12 114.58 119.40 2nqb h GLU 1064Ca 0.13 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.21 2nqb h GLU 1064Cb 0.34 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2nqb h GLU 1064CO 0.01 -0.04 -0.17 -0.07 -1.18 0.00 0.00 179.01 177.56 2nqb h LEU 1065N -0.32 0.83 -0.55 1.64 3.38 -1.28 -1.42 115.31 117.60 2nqb h LEU 1065Ca -0.02 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 2nqb h LEU 1065Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2nqb h LEU 1065CO 0.04 0.99 -0.23 0.00 0.09 0.00 0.00 178.44 179.32 2nqb h ALA 1066N 1.08 0.74 -0.61 1.53 0.00 -0.78 -0.89 119.26 120.33 2nqb h ALA 1066Ca 0.11 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2nqb h ALA 1066Cb 0.68 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2nqb h ALA 1066CO 0.05 0.66 0.40 0.78 0.00 0.00 0.00 179.25 181.15 2nqb h GLY 1067N 0.90 0.85 1.29 0.00 0.00 -0.49 -0.01 103.07 105.61 2nqb h GLY 1067Ca 0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 2nqb h GLY 1067CO 0.07 0.31 0.08 3.43 0.00 0.00 0.00 176.54 180.43 2nqb h ASN 1068N 0.82 0.84 -0.12 0.19 2.35 -0.97 -0.69 115.58 118.00 2nqb h ASN 1068Ca 0.22 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 2nqb h ASN 1068Cb -0.09 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 2nqb h ASN 1068CO -0.05 0.85 -0.09 0.00 -1.65 0.00 0.00 177.43 176.50 2nqb h ALA 1069N 1.25 1.36 -0.22 -0.83 0.00 -0.45 0.14 119.26 120.50 2nqb h ALA 1069Ca 0.17 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2nqb h ALA 1069Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2nqb h ALA 1069CO 0.01 0.44 -0.29 0.00 0.00 0.00 0.00 179.25 179.41 2nqb h ALA 1070N 1.51 0.34 -0.86 0.00 0.00 -0.20 -2.81 119.26 117.23 2nqb h ALA 1070Ca 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2nqb h ALA 1070Cb 0.41 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2nqb h ALA 1070CO 0.02 0.35 0.47 -0.09 0.00 0.00 0.00 179.25 180.00 2nqb h ARG 1071N 0.28 1.19 -0.16 0.00 2.43 -0.68 -1.03 114.38 116.42 2nqb h ARG 1071Ca 0.03 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2nqb h ARG 1071Cb 0.86 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2nqb h ARG 1071CO 0.07 0.87 0.14 -0.44 -1.51 0.00 0.00 179.97 179.10 2nqb h ASP 1072N 1.19 0.00 -0.59 -3.80 3.32 -0.62 0.20 116.42 116.12 2nqb h ASP 1072Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2nqb h ASP 1072Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2nqb h ASP 1072CO -0.05 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.06 2nqb n ASN 1073N -4.09 4.57 -3.59 6.45 3.02 -0.51 -4.97 115.26 116.15 2nqb n ASN 1073Ca 0.01 -2.46 -0.28 0.00 -0.03 0.00 0.00 54.58 51.81 2nqb n ASN 1073Cb 0.26 -0.55 0.05 0.00 -0.61 0.00 0.00 39.78 38.93 2nqb n ASN 1073CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2nqb n LYS 1074N 0.94 -1.41 -3.92 3.52 4.76 0.70 -5.01 118.16 117.75 2nqb n LYS 1074Ca 0.24 0.54 -0.10 0.00 -2.87 0.00 0.00 58.31 56.12 2nqb n LYS 1074Cb 0.86 -4.45 -0.11 0.00 -1.84 0.00 0.00 35.03 29.48 2nqb n LYS 1074CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2nqb s LYS 1075N -5.65 0.30 -0.01 1.97 1.02 -0.53 -5.01 119.74 111.83 2nqb s LYS 1075Ca 0.47 -0.37 0.21 0.00 0.02 0.00 0.00 55.97 56.30 2nqb s LYS 1075Cb -0.15 0.12 -0.25 0.00 -0.52 0.00 0.00 37.83 37.02 2nqb s LYS 1075CO 0.84 -0.06 0.76 0.25 -0.92 0.00 0.00 175.35 176.22 2nqb n THR 1076N 1.94 0.00 -3.94 2.17 -2.24 -1.26 -3.69 114.28 107.26 2nqb n THR 1076Ca -0.21 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.07 2nqb n THR 1076Cb 0.56 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.39 2nqb n THR 1076CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2nqb s ARG 1077N -3.10 3.60 0.04 -0.78 3.52 -1.26 -5.05 118.95 115.92 2nqb s ARG 1077Ca 0.03 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 2nqb s ARG 1077Cb 0.15 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 30.33 2nqb s ARG 1077CO 0.86 -0.08 1.40 0.42 -0.81 0.00 0.00 175.30 177.08 2nqb s ILE 1078N 1.27 3.60 0.37 4.11 1.01 -1.26 -4.98 121.20 125.32 2nqb s ILE 1078Ca 0.04 1.05 0.06 0.00 0.00 0.00 0.00 60.65 61.80 2nqb s ILE 1078Cb -0.15 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 2nqb s ILE 1078CO 0.02 0.02 0.01 0.27 0.00 0.00 0.00 174.94 175.26 2nqb s ILE 1079N 1.99 1.74 0.28 2.92 -4.36 -1.26 -5.03 121.20 117.48 2nqb s ILE 1079Ca 0.64 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 2nqb s ILE 1079Cb -0.33 -2.87 0.29 0.00 1.25 0.00 0.00 42.46 40.80 2nqb s ILE 1079CO 0.28 -0.04 1.67 -0.65 0.24 0.00 0.00 174.94 176.44 2nqb h PRO 1080N 1.94 0.26 -0.65 0.37 0.11 -1.87 0.22 132.00 132.36 2nqb h PRO 1080Ca -0.43 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.80 2nqb h PRO 1080Cb 1.24 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 2nqb h PRO 1080CO 0.76 0.17 0.12 -0.09 -0.21 0.00 0.00 178.00 178.74 2nqb h ARG 1081N 0.26 0.22 -0.73 1.05 1.12 -1.80 0.10 114.38 114.62 2nqb h ARG 1081Ca 0.52 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 59.34 2nqb h ARG 1081Cb 1.01 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.89 2nqb h ARG 1081CO -0.60 0.15 0.28 0.45 -3.11 0.00 0.00 179.97 177.14 2nqb h HIS 1082N 0.23 1.10 -0.50 2.20 3.86 -1.30 0.75 115.15 121.48 2nqb h HIS 1082Ca 0.35 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.38 2nqb h HIS 1082Cb 0.57 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2nqb h HIS 1082CO -0.28 0.84 -0.08 -0.07 0.86 0.00 0.00 177.93 179.19 2nqb h LEU 1083N 1.06 0.95 -0.23 2.43 3.38 -0.90 -1.05 115.31 120.94 2nqb h LEU 1083Ca 0.24 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2nqb h LEU 1083Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2nqb h LEU 1083CO -0.02 1.07 0.11 -0.61 0.09 0.00 0.00 178.44 179.09 2nqb h GLN 1084N 0.81 0.33 -0.78 1.13 5.75 -0.20 -1.24 115.11 120.91 2nqb h GLN 1084Ca 0.13 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2nqb h GLN 1084Cb 0.64 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.09 2nqb h GLN 1084CO 0.04 0.33 0.36 -0.07 -2.65 0.00 0.00 178.83 176.85 2nqb h LEU 1085N 0.25 1.04 -0.18 -2.39 3.38 -0.79 -0.75 115.31 115.87 2nqb h LEU 1085Ca 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2nqb h LEU 1085Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2nqb h LEU 1085CO -0.01 0.89 0.10 0.00 0.09 0.00 0.00 178.44 179.51 2nqb h ALA 1086N 1.19 0.23 0.00 1.53 0.00 -0.93 -2.19 119.26 119.09 2nqb h ALA 1086Ca 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2nqb h ALA 1086Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2nqb h ALA 1086CO -0.03 -0.24 -0.00 0.82 0.00 0.00 0.00 179.25 179.80 2nqb h ILE 1087N 0.19 1.39 0.00 0.00 2.04 -1.10 -3.09 117.51 116.93 2nqb h ILE 1087Ca 0.06 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 2nqb h ILE 1087Cb 0.07 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2nqb h ILE 1087CO -0.01 0.30 -0.13 0.03 0.00 0.00 0.00 178.15 178.34 2nqb h ARG 1088N -0.50 0.00 -0.01 2.37 2.47 -1.19 -2.38 114.38 115.15 2nqb h ARG 1088Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2nqb h ARG 1088Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2nqb h ARG 1088CO 0.00 0.13 -0.18 0.09 0.56 0.00 0.00 179.97 180.57 2nqb n ASN 1089N -3.35 0.80 -4.40 7.04 3.02 -0.82 -4.74 115.26 112.81 2nqb n ASN 1089Ca -0.00 -0.78 -0.37 0.00 -0.03 0.00 0.00 54.58 53.40 2nqb n ASN 1089Cb 0.34 0.04 -0.12 0.00 -0.61 0.00 0.00 39.78 39.42 2nqb n ASN 1089CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2nqb s ASP 1090N -2.46 5.16 0.21 6.41 2.15 -0.91 -5.00 116.67 122.22 2nqb s ASP 1090Ca 0.27 -0.47 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 2nqb s ASP 1090Cb 0.20 -1.91 0.31 0.00 -0.30 0.00 0.00 42.92 41.21 2nqb s ASP 1090CO 0.49 -0.12 1.69 -0.08 -0.17 0.00 0.00 175.17 176.98 2nqb h GLU 1091N 8.25 0.22 -0.13 4.34 4.81 -1.85 0.22 114.58 130.44 2nqb h GLU 1091Ca -0.35 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 58.67 2nqb h GLU 1091Cb 1.15 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.49 2nqb h GLU 1091CO 0.60 0.15 -0.69 0.93 -0.73 0.00 0.00 179.01 179.27 2nqb h GLU 1092N 0.23 0.70 -0.21 1.92 5.08 -1.94 -2.51 114.58 117.85 2nqb h GLU 1092Ca 0.32 -0.58 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 2nqb h GLU 1092Cb 0.50 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2nqb h GLU 1092CO -0.44 1.19 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.25 2nqb h LEU 1093N 0.39 0.54 -0.86 1.33 3.38 -1.78 -1.32 115.31 116.99 2nqb h LEU 1093Ca -0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2nqb h LEU 1093Cb 1.32 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2nqb h LEU 1093CO 0.14 0.91 0.45 -1.13 0.09 0.00 0.00 178.44 178.91 2nqb h ASN 1094N 0.41 1.09 -0.13 -0.43 -1.24 -0.76 -0.78 115.58 113.74 2nqb h ASN 1094Ca 0.03 -0.11 -0.06 0.00 0.71 0.00 0.00 56.30 56.87 2nqb h ASN 1094Cb 0.94 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.71 2nqb h ASN 1094CO 0.08 0.89 -0.15 0.50 -1.29 0.00 0.00 177.43 177.46 2nqb h LYS 1095N 1.20 0.33 -0.59 6.67 3.64 -1.16 -0.79 116.57 125.87 2nqb h LYS 1095Ca 0.30 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.59 2nqb h LYS 1095Cb 0.06 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 2nqb h LYS 1095CO -0.04 0.74 0.39 1.25 -2.27 0.00 0.00 179.45 179.52 2nqb h LEU 1096N -0.06 0.36 -3.32 5.20 5.85 -1.01 -2.53 115.31 119.79 2nqb h LEU 1096Ca 0.02 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 2nqb h LEU 1096Cb 0.69 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 2nqb h LEU 1096CO 0.04 0.22 -0.12 0.18 -0.34 0.00 0.00 178.44 178.42 2nqb n LEU 1097N -4.47 4.01 0.28 2.25 4.77 -0.32 -4.73 117.00 118.79 2nqb n LEU 1097Ca 0.09 -3.80 0.13 0.00 -0.03 0.00 0.00 56.01 52.41 2nqb n LEU 1097Cb 0.36 -0.63 0.80 0.00 -2.33 0.00 0.00 43.42 41.62 2nqb n LEU 1097CO 0.34 1.28 1.04 0.77 -1.33 0.00 0.00 177.39 179.50 2nqb h SER 1098N 1.01 0.00 -0.33 -1.43 4.64 -0.68 -1.75 113.55 115.00 2nqb h SER 1098Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2nqb h SER 1098Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2nqb h SER 1098CO 0.36 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 2nqb n GLY 1099N -1.01 1.12 3.87 -0.77 0.00 -1.26 -4.95 105.19 102.19 2nqb n GLY 1099Ca -0.02 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 2nqb n GLY 1099CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nqb s VAL 1100N -1.57 5.40 -0.16 1.61 1.01 -0.66 -5.09 120.40 120.93 2nqb s VAL 1100Ca 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 2nqb s VAL 1100Cb 0.20 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2nqb s VAL 1100CO 0.28 0.51 -0.08 -0.89 0.00 0.00 0.00 175.10 174.92 2nqb s THR 1101N -1.13 3.35 -0.41 3.92 2.01 -1.26 -5.07 115.64 117.05 2nqb s THR 1101Ca 0.19 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.48 2nqb s THR 1101Cb -0.12 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.95 2nqb s THR 1101CO 0.09 0.49 0.46 -0.63 -0.69 0.00 0.00 174.62 174.34 2nqb s ILE 1102N 0.67 5.06 0.22 1.82 -1.09 -1.26 -5.04 121.20 121.57 2nqb s ILE 1102Ca -0.04 -0.21 -0.32 0.00 -2.23 0.00 0.00 60.65 57.84 2nqb s ILE 1102Cb -0.15 -4.04 -0.14 0.00 -1.58 0.00 0.00 42.46 36.56 2nqb s ILE 1102CO 0.02 -0.40 1.45 0.00 -1.23 0.00 0.00 174.94 174.78 2nqb n ALA 1103N 5.67 1.14 -2.78 9.38 0.00 -1.26 -1.60 120.51 131.06 2nqb n ALA 1103Ca -0.07 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.58 2nqb n ALA 1103Cb 0.48 -2.29 0.01 0.00 0.00 0.00 0.00 19.45 17.65 2nqb n ALA 1103CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nqb n GLN 1104N 2.41 -3.48 -0.00 0.00 1.13 -1.26 -4.81 117.38 111.37 2nqb n GLN 1104Ca 0.13 0.90 0.05 0.00 -1.94 0.00 0.00 57.00 56.14 2nqb n GLN 1104Cb 0.30 -5.67 -0.13 0.00 0.11 0.00 0.00 30.24 24.86 2nqb n GLN 1104CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nqb n GLY 1105N -1.27 -1.11 7.00 1.08 0.00 -0.63 -3.43 105.19 106.83 2nqb n GLY 1105Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2nqb n GLY 1105CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nqb n GLY 1106N 1.38 0.01 3.35 -0.02 0.00 -1.26 -4.55 105.19 104.09 2nqb n GLY 1106Ca -0.11 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 2nqb n GLY 1106CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nqb s VAL 1107N 0.00 1.08 0.28 1.61 -7.23 -1.26 -5.02 120.40 109.86 2nqb s VAL 1107Ca 0.00 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 57.84 2nqb s VAL 1107Cb 0.00 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 2nqb s VAL 1107CO 0.00 -0.26 1.08 -0.76 -0.31 0.00 0.00 175.10 174.85 2nqb s LEU 1108N -3.34 4.53 0.07 1.32 1.43 -1.26 -4.95 118.68 116.49 2nqb s LEU 1108Ca 0.30 2.22 -0.31 0.00 -1.03 0.00 0.00 54.13 55.31 2nqb s LEU 1108Cb 0.06 -3.67 -0.10 0.00 0.03 0.00 0.00 46.19 42.51 2nqb s LEU 1108CO 0.10 -0.14 1.88 -2.65 0.23 0.00 0.00 176.35 175.77 2nqb n PRO 1109N 1.13 2.72 -3.23 1.29 -0.02 -1.26 -4.94 135.00 130.69 2nqb n PRO 1109Ca -0.01 0.99 0.03 0.00 -2.02 0.00 0.00 63.50 62.50 2nqb n PRO 1109Cb 0.45 -2.90 -0.02 0.00 -0.02 0.00 0.00 33.50 31.02 2nqb n PRO 1109CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2nqb s ASN 1110N 3.36 -1.08 -0.18 2.55 2.47 -1.26 -5.14 114.94 115.66 2nqb s ASN 1110Ca 0.85 0.83 -0.01 0.00 0.42 0.00 0.00 52.86 54.95 2nqb s ASN 1110Cb -0.50 1.97 -0.00 0.00 -1.45 0.00 0.00 41.25 41.27 2nqb s ASN 1110CO 0.41 -0.20 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.83 2nqb s ILE 1111N 2.85 2.82 0.15 -5.21 1.09 -1.26 -5.08 121.20 116.56 2nqb s ILE 1111Ca 0.11 -0.70 -0.34 0.00 -1.10 0.00 0.00 60.65 58.62 2nqb s ILE 1111Cb -0.13 -2.22 -0.14 0.00 -1.06 0.00 0.00 42.46 38.91 2nqb s ILE 1111CO -0.18 0.49 1.61 0.00 -0.10 0.00 0.00 174.94 176.76 2nqb n GLN 1112N 4.34 2.18 -0.29 2.79 1.13 -1.26 -4.85 117.38 121.42 2nqb n GLN 1112Ca -0.19 0.79 0.10 0.00 -1.94 0.00 0.00 57.00 55.76 2nqb n GLN 1112Cb 0.51 -2.57 0.24 0.00 0.11 0.00 0.00 30.24 28.54 2nqb n GLN 1112CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2nqb h ALA 1113N 6.20 1.09 0.00 -1.58 0.00 -1.98 0.83 119.26 123.82 2nqb h ALA 1113Ca -0.45 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2nqb h ALA 1113Cb 1.25 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2nqb h ALA 1113CO 0.89 -0.45 0.00 1.55 0.00 0.00 0.00 179.25 181.25 2nqb n VAL 1114N -5.28 1.34 0.49 0.00 3.14 -1.26 -1.33 118.33 115.44 2nqb n VAL 1114Ca 0.19 0.66 0.12 0.00 -2.96 0.00 0.00 64.34 62.34 2nqb n VAL 1114Cb 0.61 -1.66 0.07 0.00 -1.06 0.00 0.00 33.84 31.80 2nqb n VAL 1114CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2nqb n LEU 1115N -2.01 0.66 -4.76 6.55 4.77 0.29 -4.93 117.00 117.56 2nqb n LEU 1115Ca -0.01 0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.73 2nqb n LEU 1115Cb 0.03 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2nqb n LEU 1115CO 0.06 -0.03 0.85 -0.76 -1.33 0.00 0.00 177.39 176.19 2nqb s LEU 1116N -4.25 3.85 0.47 2.23 1.43 -0.44 -4.96 118.68 117.02 2nqb s LEU 1116Ca 0.04 2.39 -0.22 0.00 -1.03 0.00 0.00 54.13 55.31 2nqb s LEU 1116Cb 0.13 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.86 2nqb s LEU 1116CO 0.77 -1.26 0.81 -0.81 0.23 0.00 0.00 176.35 176.09 2nqb n PRO 1117N -1.00 0.94 0.00 1.29 -0.04 -1.26 -5.10 135.00 129.83 2nqb n PRO 1117Ca 0.10 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2nqb n PRO 1117Cb 0.48 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 2nqb n PRO 1117CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09