#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3b s THR 1016N 0.00 4.36 0.50 3.15 -4.23 -1.26 -4.93 115.64 113.23 1p3b s THR 1016Ca 0.00 1.46 0.17 0.00 -1.18 0.00 0.00 61.69 62.14 1p3b s THR 1016Cb 0.00 -3.59 0.30 0.00 1.34 0.00 0.00 72.50 70.55 1p3b s THR 1016CO 0.00 -0.32 2.10 0.03 -0.54 0.00 0.00 174.62 175.88 1p3b h ARG 1017N 1.87 0.10 -0.17 3.99 3.08 -1.99 0.49 114.38 121.74 1p3b h ARG 1017Ca -0.49 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.47 1p3b h ARG 1017Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1p3b h ARG 1017CO 0.61 0.06 -0.27 0.77 -1.07 0.00 0.00 179.97 180.07 1p3b h SER 1018N 0.10 0.33 -0.19 7.04 0.02 -1.87 0.24 113.55 119.23 1p3b h SER 1018Ca 0.09 -0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1p3b h SER 1018Cb 0.24 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1p3b h SER 1018CO -0.01 0.60 -0.55 0.28 -1.14 0.00 0.00 176.83 176.01 1p3b h SER 1019N 0.29 0.82 0.33 3.07 0.02 -1.16 1.41 113.55 118.33 1p3b h SER 1019Ca 0.04 -0.58 -0.09 0.00 -0.84 0.00 0.00 61.79 60.32 1p3b h SER 1019Cb 0.64 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1p3b h SER 1019CO 0.05 1.26 -0.39 0.03 -1.14 0.00 0.00 176.83 176.64 1p3b h ARG 1020N 0.42 0.08 0.00 3.45 3.08 -0.87 -2.15 114.38 118.38 1p3b h ARG 1020Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1p3b h ARG 1020Cb 1.17 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1p3b h ARG 1020CO 0.12 0.46 -0.53 0.00 -1.07 0.00 0.00 179.97 178.95 1p3b n ALA 1021N -2.47 2.96 -2.88 0.04 0.00 0.82 -4.95 120.51 114.03 1p3b n ALA 1021Ca -0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.08 1p3b n ALA 1021Cb 0.44 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.73 1p3b n ALA 1021CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3b n GLY 1022N 1.37 0.21 3.41 0.00 0.00 0.20 -5.04 105.19 105.35 1p3b n GLY 1022Ca 0.04 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1p3b n GLY 1022CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3b s LEU 1023N -3.89 2.47 0.12 0.99 1.43 0.42 -5.00 118.68 115.23 1p3b s LEU 1023Ca 0.18 -0.90 0.21 0.00 -1.03 0.00 0.00 54.13 52.58 1p3b s LEU 1023Cb -0.08 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.97 1p3b s LEU 1023CO 0.33 0.07 0.87 0.00 0.23 0.00 0.00 176.35 177.85 1p3b n GLN 1024N 0.07 0.62 -3.11 1.70 1.13 -1.26 -4.43 117.38 112.10 1p3b n GLN 1024Ca -0.11 0.10 -0.35 0.00 -1.94 0.00 0.00 57.00 54.70 1p3b n GLN 1024Cb 0.57 -1.77 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 1p3b n GLN 1024CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1p3b s PHE 1025N -3.25 3.53 -0.93 1.08 0.40 -1.26 -4.99 117.98 112.56 1p3b s PHE 1025Ca -0.03 1.33 -0.25 0.00 -0.60 0.00 0.00 56.93 57.38 1p3b s PHE 1025Cb 0.10 -2.59 -0.09 0.00 0.51 0.00 0.00 43.02 40.94 1p3b s PHE 1025CO 0.81 0.23 2.09 -1.25 0.70 0.00 0.00 175.22 177.80 1p3b s PRO 1026N -2.41 2.16 0.13 0.24 0.04 -1.26 -4.70 135.00 129.19 1p3b s PRO 1026Ca 0.48 -0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.01 1p3b s PRO 1026Cb -0.14 -5.01 -0.07 0.00 0.04 0.00 0.00 34.50 29.33 1p3b s PRO 1026CO 0.19 -3.96 1.59 0.28 0.04 0.00 0.00 177.00 175.14 1p3b h VAL 1027N 7.17 0.16 -0.41 -0.36 2.07 -1.92 -0.35 116.25 122.61 1p3b h VAL 1027Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.69 1p3b h VAL 1027Cb 0.99 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.83 1p3b h VAL 1027CO 1.14 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 179.71 1p3b h GLY 1028N -0.54 -0.04 0.44 2.17 0.00 -1.91 -0.61 103.07 102.58 1p3b h GLY 1028Ca 0.06 0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.77 1p3b h GLY 1028CO -0.35 -0.21 0.01 -0.09 0.00 0.00 0.00 176.54 175.90 1p3b h ARG 1029N -0.18 0.11 -0.27 4.80 2.43 -1.79 0.44 114.38 119.92 1p3b h ARG 1029Ca 0.19 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1p3b h ARG 1029Cb 0.48 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1p3b h ARG 1029CO -0.52 0.07 -0.09 0.28 -1.51 0.00 0.00 179.97 178.21 1p3b h VAL 1030N 0.11 0.69 -0.42 0.20 2.07 -0.35 0.27 116.25 118.82 1p3b h VAL 1030Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 1p3b h VAL 1030Cb 0.24 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 1p3b h VAL 1030CO -0.29 0.00 -0.11 -0.74 0.02 0.00 0.00 177.57 176.45 1p3b h HIS 1031N -0.03 -0.25 0.02 1.57 -0.00 -0.18 0.17 115.15 116.47 1p3b h HIS 1031Ca 0.14 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.56 1p3b h HIS 1031Cb 0.23 0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 1p3b h HIS 1031CO -0.28 -0.19 -0.11 -0.09 -0.00 0.00 0.00 177.93 177.26 1p3b h ARG 1032N -0.01 -0.19 -0.33 5.26 2.43 0.30 -2.05 114.38 119.79 1p3b h ARG 1032Ca 0.20 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1p3b h ARG 1032Cb 0.32 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1p3b h ARG 1032CO -0.44 -0.12 0.11 -0.07 -1.51 0.00 0.00 179.97 177.94 1p3b h LEU 1033N -0.19 0.41 -0.72 3.80 3.38 0.30 -0.93 115.31 121.35 1p3b h LEU 1033Ca 0.03 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1p3b h LEU 1033Cb 0.23 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1p3b h LEU 1033CO -0.09 0.39 0.20 -0.07 0.09 0.00 0.00 178.44 178.97 1p3b h LEU 1034N 0.46 1.07 -0.14 1.67 3.38 -0.19 -0.83 115.31 120.73 1p3b h LEU 1034Ca 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1p3b h LEU 1034Cb 0.12 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1p3b h LEU 1034CO -0.01 1.01 -0.01 0.03 0.09 0.00 0.00 178.44 179.54 1p3b h ARG 1035N 1.08 0.25 0.00 1.13 3.08 -0.69 -2.08 114.38 117.15 1p3b h ARG 1035Ca 0.23 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1p3b h ARG 1035Cb 0.34 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1p3b h ARG 1035CO -0.00 0.51 0.00 1.63 -1.07 0.00 0.00 179.97 181.03 1p3b n LYS 1036N -4.75 0.06 0.09 0.04 4.76 -0.42 -2.61 118.16 115.33 1p3b n LYS 1036Ca -0.06 0.28 -0.08 0.00 -2.87 0.00 0.00 58.31 55.58 1p3b n LYS 1036Cb 0.23 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1p3b n LYS 1036CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1p3b h GLY 1037N 1.49 0.18 -3.81 0.72 0.00 -0.40 -3.48 103.07 97.77 1p3b h GLY 1037Ca 0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 1p3b h GLY 1037CO 0.00 0.29 -0.39 0.70 0.00 0.00 0.00 176.54 177.14 1p3b n ASN 1038N -3.64 -2.63 -0.05 0.19 4.13 -1.07 -4.94 115.26 107.25 1p3b n ASN 1038Ca -0.03 -0.31 -0.07 0.00 1.68 0.00 0.00 54.58 55.84 1p3b n ASN 1038Cb 0.80 -2.91 -0.14 0.00 -1.54 0.00 0.00 39.78 35.99 1p3b n ASN 1038CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1p3b n TYR 1039N -2.95 0.48 -3.60 3.10 4.02 -1.26 -5.02 117.16 111.93 1p3b n TYR 1039Ca -0.11 0.17 -0.09 0.00 -0.01 0.00 0.00 57.90 57.86 1p3b n TYR 1039Cb 0.57 -1.05 -0.02 0.00 -0.02 0.00 0.00 39.34 38.82 1p3b n TYR 1039CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p3b s ALA 1040N -2.63 -1.53 0.24 -0.72 0.00 -1.26 -5.05 121.76 110.82 1p3b s ALA 1040Ca -0.07 0.29 0.11 0.00 0.00 0.00 0.00 51.96 52.29 1p3b s ALA 1040Cb 0.07 0.78 0.35 0.00 0.00 0.00 0.00 23.12 24.32 1p3b s ALA 1040CO 0.83 -0.87 1.60 1.49 0.00 0.00 0.00 175.76 178.81 1p3b h GLU 1041N 2.00 0.00 -5.28 0.00 4.81 -1.99 -3.46 114.58 110.66 1p3b h GLU 1041Ca -0.27 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.49 1p3b h GLU 1041Cb 1.27 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.51 1p3b h GLU 1041CO 0.31 0.61 -0.63 1.03 -0.73 0.00 0.00 179.01 179.61 1p3b s ARG 1042N -3.54 1.61 -0.13 1.92 0.52 -1.26 -5.15 118.95 112.93 1p3b s ARG 1042Ca -0.01 -1.87 -0.04 0.00 -0.52 0.00 0.00 55.73 53.29 1p3b s ARG 1042Cb 0.12 -0.93 0.06 0.00 0.52 0.00 0.00 34.95 34.73 1p3b s ARG 1042CO 0.76 -0.13 0.20 0.08 0.02 0.00 0.00 175.30 176.23 1p3b s VAL 1043N -3.23 -0.32 0.62 3.52 1.01 -1.26 -5.05 120.40 115.68 1p3b s VAL 1043Ca 0.34 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 1p3b s VAL 1043Cb 0.08 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1p3b s VAL 1043CO 0.14 0.04 0.98 0.61 0.00 0.00 0.00 175.10 176.87 1p3b n GLY 1044N 5.33 -0.27 0.27 4.51 0.00 -1.26 -4.90 105.19 108.87 1p3b n GLY 1044Ca -0.05 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.84 1p3b n GLY 1044CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3b h ALA 1045N 0.42 1.59 0.00 4.61 0.00 -2.04 -3.16 119.26 120.67 1p3b h ALA 1045Ca -0.49 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1p3b h ALA 1045Cb 1.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1p3b h ALA 1045CO 0.51 0.31 -1.03 0.41 0.00 0.00 0.00 179.25 179.44 1p3b n GLY 1046N -1.14 -1.40 0.18 0.00 0.00 -1.26 -4.22 105.19 97.35 1p3b n GLY 1046Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1p3b n GLY 1046CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3b h ALA 1047N 2.11 0.53 -0.22 4.61 0.00 -1.93 0.44 119.26 124.81 1p3b h ALA 1047Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1p3b h ALA 1047Cb 0.94 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1p3b h ALA 1047CO 0.00 -0.24 0.15 -1.00 0.00 0.00 0.00 179.25 178.15 1p3b h PRO 1048N 0.31 0.26 0.49 0.00 0.13 -1.73 0.25 132.00 131.72 1p3b h PRO 1048Ca 0.21 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1p3b h PRO 1048Cb 0.22 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.29 1p3b h PRO 1048CO -0.22 0.17 -0.24 0.28 -0.23 0.00 0.00 178.00 177.76 1p3b h VAL 1049N 0.27 0.05 -0.63 1.56 2.07 -1.08 -1.36 116.25 117.13 1p3b h VAL 1049Ca 0.08 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.21 1p3b h VAL 1049Cb 0.01 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 29.76 1p3b h VAL 1049CO -0.02 0.01 0.02 0.22 0.02 0.00 0.00 177.57 177.82 1p3b h TYR 1050N -1.16 -0.01 0.08 1.57 -0.00 0.00 0.35 116.97 117.80 1p3b h TYR 1050Ca -0.07 0.05 -0.00 0.00 -0.00 0.00 0.00 58.73 58.70 1p3b h TYR 1050Cb 0.53 0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.36 1p3b h TYR 1050CO 0.00 -0.16 -0.04 1.25 -0.00 0.00 0.00 178.16 179.22 1p3b h LEU 1051N 0.13 -0.09 -0.81 2.82 5.85 -1.01 -0.80 115.31 121.40 1p3b h LEU 1051Ca 0.33 -0.14 0.17 0.00 0.84 0.00 0.00 57.88 59.08 1p3b h LEU 1051Cb 0.54 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.49 1p3b h LEU 1051CO -0.53 0.08 0.34 0.00 -0.34 0.00 0.00 178.44 178.00 1p3b h ALA 1052N 0.65 1.20 -0.05 1.25 0.00 -0.33 0.82 119.26 122.81 1p3b h ALA 1052Ca -0.01 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1p3b h ALA 1052Cb 0.22 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1p3b h ALA 1052CO 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 179.25 178.96 1p3b h ALA 1053N 1.60 -0.04 -0.03 0.00 0.00 -0.42 -1.06 119.26 119.31 1p3b h ALA 1053Ca 0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1p3b h ALA 1053Cb 0.76 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1p3b h ALA 1053CO -0.44 -0.55 0.02 0.28 0.00 0.00 0.00 179.25 178.56 1p3b h VAL 1054N -0.11 1.01 -0.03 0.00 2.07 0.43 -1.21 116.25 118.42 1p3b h VAL 1054Ca 0.05 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1p3b h VAL 1054Cb 0.17 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1p3b h VAL 1054CO -0.11 0.01 -0.12 -0.07 0.02 0.00 0.00 177.57 177.30 1p3b h LEU 1055N 0.03 -0.36 -0.11 2.57 3.38 -0.76 -2.00 115.31 118.07 1p3b h LEU 1055Ca 0.01 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1p3b h LEU 1055Cb 0.00 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1p3b h LEU 1055CO -0.00 -0.17 -0.25 -0.08 0.09 0.00 0.00 178.44 178.03 1p3b h GLU 1056N -0.19 -0.32 -0.38 1.13 4.81 -1.08 -0.83 114.58 117.72 1p3b h GLU 1056Ca 0.06 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1p3b h GLU 1056Cb 0.26 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.63 1p3b h GLU 1056CO -0.15 -0.21 -0.37 -0.92 -0.73 0.00 0.00 179.01 176.63 1p3b h TYR 1057N -0.33 -1.05 -0.13 0.92 3.20 -0.85 0.25 116.97 118.98 1p3b h TYR 1057Ca 0.10 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1p3b h TYR 1057Cb 0.47 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1p3b h TYR 1057CO -0.34 -0.41 -0.05 -0.07 -1.64 0.00 0.00 178.16 175.64 1p3b h LEU 1058N -0.30 0.17 -0.35 2.82 3.38 -1.11 0.54 115.31 120.46 1p3b h LEU 1058Ca 0.15 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1p3b h LEU 1058Cb 0.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1p3b h LEU 1058CO -0.54 0.26 0.01 0.74 0.09 0.00 0.00 178.44 179.00 1p3b h THR 1059N 0.19 1.26 -0.15 0.22 2.02 0.45 -1.13 112.91 115.76 1p3b h THR 1059Ca 0.04 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 1p3b h THR 1059Cb 0.22 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1p3b h THR 1059CO 0.01 0.32 0.06 0.00 0.37 0.00 0.00 175.52 176.27 1p3b h ALA 1060N 0.87 0.19 -0.52 6.16 0.00 0.64 -1.76 119.26 124.84 1p3b h ALA 1060Ca 0.10 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1p3b h ALA 1060Cb 0.44 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 1p3b h ALA 1060CO 0.02 -0.22 -0.21 1.49 0.00 0.00 0.00 179.25 180.33 1p3b h GLU 1061N 0.08 -0.08 0.63 0.00 4.57 0.31 -1.24 114.58 118.85 1p3b h GLU 1061Ca 0.05 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1p3b h GLU 1061Cb 0.17 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1p3b h GLU 1061CO -0.00 -0.06 -0.30 0.82 -1.18 0.00 0.00 179.01 178.29 1p3b h ILE 1062N -0.09 0.14 -1.02 2.32 2.04 -1.05 -3.14 117.51 116.72 1p3b h ILE 1062Ca 0.24 -0.35 0.35 0.00 1.00 0.00 0.00 64.86 66.10 1p3b h ILE 1062Cb 0.46 0.20 -0.15 0.00 -0.74 0.00 0.00 36.82 36.58 1p3b h ILE 1062CO -0.58 0.02 0.58 -0.07 0.00 0.00 0.00 178.15 178.10 1p3b h LEU 1063N -1.15 0.46 0.59 1.44 3.38 -1.09 0.30 115.31 119.24 1p3b h LEU 1063Ca -0.09 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1p3b h LEU 1063Cb 0.68 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1p3b h LEU 1063CO 0.14 -0.21 -0.43 -0.08 0.09 0.00 0.00 178.44 177.95 1p3b h GLU 1064N 0.24 -0.94 -0.89 1.13 4.57 -1.22 1.07 114.58 118.54 1p3b h GLU 1064Ca 0.76 0.06 0.04 0.00 -1.18 0.00 0.00 59.36 59.05 1p3b h GLU 1064Cb 1.85 0.21 -0.06 0.00 -0.16 0.00 0.00 28.75 30.60 1p3b h GLU 1064CO -0.63 -0.63 0.57 -0.07 -1.18 0.00 0.00 179.01 177.07 1p3b h LEU 1065N -0.98 0.94 -0.70 1.64 3.38 -0.76 0.80 115.31 119.63 1p3b h LEU 1065Ca -0.08 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1p3b h LEU 1065Cb 0.81 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1p3b h LEU 1065CO 0.03 0.63 -0.20 0.00 0.09 0.00 0.00 178.44 179.00 1p3b h ALA 1066N 1.38 0.89 -0.58 1.53 0.00 -0.39 0.10 119.26 122.18 1p3b h ALA 1066Ca 0.36 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1p3b h ALA 1066Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1p3b h ALA 1066CO -0.13 0.63 0.04 0.78 0.00 0.00 0.00 179.25 180.56 1p3b h GLY 1067N 0.96 1.06 1.25 0.00 0.00 0.23 -1.26 103.07 105.30 1p3b h GLY 1067Ca 0.10 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 1p3b h GLY 1067CO 0.05 0.67 -0.15 3.43 0.00 0.00 0.00 176.54 180.55 1p3b h ASN 1068N 0.91 0.88 -0.51 0.19 2.35 -0.33 -1.98 115.58 117.10 1p3b h ASN 1068Ca 0.17 -0.29 0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1p3b h ASN 1068Cb 0.48 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.54 1p3b h ASN 1068CO 0.02 1.03 0.10 0.00 -1.65 0.00 0.00 177.43 176.93 1p3b h ALA 1069N 1.04 0.57 -0.61 -0.83 0.00 -0.17 0.03 119.26 119.30 1p3b h ALA 1069Ca 0.12 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1p3b h ALA 1069Cb 0.68 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1p3b h ALA 1069CO 0.05 -0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.35 1p3b h ALA 1070N 1.40 0.78 0.45 0.00 0.00 -0.79 -1.70 119.26 119.39 1p3b h ALA 1070Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1p3b h ALA 1070Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1p3b h ALA 1070CO -0.34 0.26 -0.33 -0.09 0.00 0.00 0.00 179.25 178.75 1p3b h ARG 1071N 0.82 -0.73 -0.70 0.00 2.43 -0.42 0.29 114.38 116.08 1p3b h ARG 1071Ca 0.22 0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.64 1p3b h ARG 1071Cb -0.01 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1p3b h ARG 1071CO -0.04 -0.49 0.50 -0.44 -1.51 0.00 0.00 179.97 177.99 1p3b h ASP 1072N -0.76 0.03 -0.11 -3.80 3.32 -0.87 0.87 116.42 115.10 1p3b h ASP 1072Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1p3b h ASP 1072Cb 0.65 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1p3b h ASP 1072CO 0.01 0.01 0.00 -3.20 -1.72 0.00 0.00 179.24 174.35 1p3b n ASN 1073N -4.34 0.80 -1.48 6.45 4.05 -0.52 -4.86 115.26 115.35 1p3b n ASN 1073Ca 0.14 -1.72 -0.17 0.00 0.45 0.00 0.00 54.58 53.27 1p3b n ASN 1073Cb 0.75 -0.07 -0.06 0.00 1.23 0.00 0.00 39.78 41.63 1p3b n ASN 1073CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1p3b n LYS 1074N -0.19 -1.23 -4.30 1.20 4.76 0.30 -4.99 118.16 113.72 1p3b n LYS 1074Ca 0.11 1.03 -0.24 0.00 -2.87 0.00 0.00 58.31 56.33 1p3b n LYS 1074Cb 0.17 -5.31 -0.08 0.00 -1.84 0.00 0.00 35.03 27.96 1p3b n LYS 1074CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1p3b s LYS 1075N -3.83 2.13 -0.00 1.97 1.02 0.92 -4.99 119.74 116.95 1p3b s LYS 1075Ca 0.00 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.26 1p3b s LYS 1075Cb 0.00 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 1p3b s LYS 1075CO 0.00 0.11 0.01 0.25 -0.92 0.00 0.00 175.35 174.80 1p3b n THR 1076N -1.00 0.00 -3.76 2.17 -2.24 -1.26 -3.51 114.28 104.68 1p3b n THR 1076Ca -0.04 -0.15 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 1p3b n THR 1076Cb 0.62 0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 69.37 1p3b n THR 1076CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1p3b s ARG 1077N -1.73 3.60 0.31 -0.78 3.52 -1.26 -5.04 118.95 117.57 1p3b s ARG 1077Ca -0.00 -0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 1p3b s ARG 1077Cb 0.00 -3.31 -0.10 0.00 -1.56 0.00 0.00 34.95 29.98 1p3b s ARG 1077CO 0.02 -0.21 1.31 0.42 -0.81 0.00 0.00 175.30 176.02 1p3b s ILE 1078N 1.60 2.81 0.13 4.11 1.01 -1.26 -5.00 121.20 124.60 1p3b s ILE 1078Ca 0.06 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.50 1p3b s ILE 1078Cb -0.15 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1p3b s ILE 1078CO 0.03 0.17 0.01 0.27 0.00 0.00 0.00 174.94 175.42 1p3b s ILE 1079N -0.90 0.43 0.22 2.92 -4.36 -1.26 -5.03 121.20 113.21 1p3b s ILE 1079Ca 0.50 -1.93 -0.09 0.00 -0.26 0.00 0.00 60.65 58.88 1p3b s ILE 1079Cb -0.39 -1.96 0.34 0.00 1.25 0.00 0.00 42.46 41.70 1p3b s ILE 1079CO 0.50 -0.59 1.29 -2.65 0.24 0.00 0.00 174.94 173.73 1p3b n PRO 1080N -0.12 -0.10 -0.22 0.37 -0.02 -1.26 0.50 135.00 134.14 1p3b n PRO 1080Ca -0.08 1.29 0.16 0.00 -2.02 0.00 0.00 63.50 62.86 1p3b n PRO 1080Cb 0.63 -1.93 0.48 0.00 -0.02 0.00 0.00 33.50 32.66 1p3b n PRO 1080CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1p3b h ARG 1081N 0.00 0.45 -0.08 -0.52 9.65 -1.76 0.24 114.38 122.36 1p3b h ARG 1081Ca 0.37 -0.03 -0.17 0.00 -1.10 0.00 0.00 59.98 59.06 1p3b h ARG 1081Cb 0.58 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 1p3b h ARG 1081CO -0.85 0.30 -0.66 0.45 2.80 0.00 0.00 179.97 182.01 1p3b h HIS 1082N 0.47 0.46 -0.09 2.20 3.86 -0.29 -1.08 115.15 120.68 1p3b h HIS 1082Ca 0.43 -0.19 -0.19 0.00 -1.16 0.00 0.00 60.37 59.27 1p3b h HIS 1082Cb 0.97 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.36 1p3b h HIS 1082CO -0.00 0.91 -0.72 -0.07 0.86 0.00 0.00 177.93 178.90 1p3b h LEU 1083N 0.25 0.53 0.01 2.43 3.38 -0.43 0.48 115.31 121.96 1p3b h LEU 1083Ca -0.02 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1p3b h LEU 1083Cb 1.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1p3b h LEU 1083CO 0.11 1.08 -0.00 -0.61 0.09 0.00 0.00 178.44 179.11 1p3b h GLN 1084N 0.30 -0.01 -0.72 1.13 5.75 -0.57 -0.75 115.11 120.24 1p3b h GLN 1084Ca -0.03 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1p3b h GLN 1084Cb 1.30 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.82 1p3b h GLN 1084CO 0.13 0.32 0.43 -0.07 -2.65 0.00 0.00 178.83 176.99 1p3b h LEU 1085N -0.34 0.87 -0.09 -2.39 3.38 -1.19 -0.88 115.31 114.66 1p3b h LEU 1085Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1p3b h LEU 1085Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1p3b h LEU 1085CO 0.00 0.67 0.04 0.00 0.09 0.00 0.00 178.44 179.24 1p3b h ALA 1086N 1.48 0.12 0.33 1.53 0.00 -0.69 -2.83 119.26 119.21 1p3b h ALA 1086Ca 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1p3b h ALA 1086Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1p3b h ALA 1086CO -0.05 -0.29 -0.16 0.28 0.00 0.00 0.00 179.25 179.03 1p3b h VAL 1087N -0.01 0.51 0.00 0.00 2.07 -0.75 -3.20 116.25 114.87 1p3b h VAL 1087Ca 0.03 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1p3b h VAL 1087Cb 0.17 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1p3b h VAL 1087CO -0.00 0.11 0.00 0.03 0.02 0.00 0.00 177.57 177.73 1p3b h ARG 1088N -0.93 0.00 0.00 1.57 2.47 -1.31 -2.03 114.38 114.15 1p3b h ARG 1088Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1p3b h ARG 1088Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1p3b h ARG 1088CO 0.08 0.00 -0.25 0.09 0.56 0.00 0.00 179.97 180.45 1p3b n ASN 1089N -2.80 0.49 -4.33 7.04 3.02 -1.07 -4.73 115.26 112.88 1p3b n ASN 1089Ca -0.00 0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.48 1p3b n ASN 1089Cb 0.19 -0.28 -0.14 0.00 -0.61 0.00 0.00 39.78 38.95 1p3b n ASN 1089CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p3b s ASP 1090N -3.71 4.30 0.15 6.41 2.15 -0.80 -5.03 116.67 120.14 1p3b s ASP 1090Ca 0.11 -0.36 -0.31 0.00 0.43 0.00 0.00 52.55 52.42 1p3b s ASP 1090Cb 0.16 -1.72 -0.06 0.00 -0.30 0.00 0.00 42.92 40.99 1p3b s ASP 1090CO 0.63 0.02 1.55 -0.08 -0.17 0.00 0.00 175.17 177.12 1p3b h GLU 1091N 7.81 -0.28 0.68 4.34 4.81 -1.85 -1.09 114.58 129.00 1p3b h GLU 1091Ca -0.39 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1p3b h GLU 1091Cb 1.17 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1p3b h GLU 1091CO 0.60 -0.19 -0.44 0.93 -0.73 0.00 0.00 179.01 179.18 1p3b h GLU 1092N -0.30 -1.01 -0.51 1.92 5.08 -1.96 -1.36 114.58 116.45 1p3b h GLU 1092Ca 0.12 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.64 1p3b h GLU 1092Cb 0.56 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 29.96 1p3b h GLU 1092CO -0.67 -0.67 -0.01 -0.07 -1.00 0.00 0.00 179.01 176.59 1p3b h LEU 1093N -1.05 -0.24 -1.04 1.33 3.38 -1.81 0.18 115.31 116.07 1p3b h LEU 1093Ca -0.09 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1p3b h LEU 1093Cb 0.84 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 1p3b h LEU 1093CO 0.08 -0.08 0.62 -1.13 0.09 0.00 0.00 178.44 178.02 1p3b h ASN 1094N 0.11 0.88 0.08 -0.43 -1.24 -0.83 0.84 115.58 114.98 1p3b h ASN 1094Ca 0.26 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.32 1p3b h ASN 1094Cb 0.39 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1p3b h ASN 1094CO -0.43 0.44 -0.04 0.50 -1.29 0.00 0.00 177.43 176.61 1p3b h LYS 1095N 0.93 -0.11 -0.42 6.67 3.64 0.31 -1.22 116.57 126.37 1p3b h LYS 1095Ca 0.51 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 60.02 1p3b h LYS 1095Cb 0.58 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1p3b h LYS 1095CO -0.28 0.37 0.37 1.25 -2.27 0.00 0.00 179.45 178.89 1p3b h LEU 1096N -0.65 0.00 -3.20 5.20 5.85 -0.07 0.33 115.31 122.77 1p3b h LEU 1096Ca -0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1p3b h LEU 1096Cb 0.53 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1p3b h LEU 1096CO 0.02 0.00 -0.22 0.18 -0.34 0.00 0.00 178.44 178.08 1p3b n LEU 1097N -4.00 3.52 0.33 2.25 4.77 0.22 -4.77 117.00 119.32 1p3b n LEU 1097Ca 0.07 -3.75 0.21 0.00 -0.03 0.00 0.00 56.01 52.52 1p3b n LEU 1097Cb 0.56 -0.58 1.14 0.00 -2.33 0.00 0.00 43.42 42.21 1p3b n LEU 1097CO 0.31 1.25 1.16 1.23 -1.33 0.00 0.00 177.39 180.02 1p3b h GLY 1098N 0.98 0.00 -1.12 -0.72 0.00 0.35 -1.20 103.07 101.37 1p3b h GLY 1098Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1p3b h GLY 1098CO 0.22 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.30 1p3b n ARG 1099N -3.19 2.55 -4.43 4.80 3.00 -1.26 -5.00 116.66 113.13 1p3b n ARG 1099Ca -0.03 -2.62 -0.33 0.00 -0.01 0.00 0.00 57.85 54.87 1p3b n ARG 1099Cb 0.09 -1.65 -0.10 0.00 0.00 0.00 0.00 32.46 30.80 1p3b n ARG 1099CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1p3b s VAL 1100N -2.52 3.90 -0.15 1.55 1.01 -0.45 -5.11 120.40 118.64 1p3b s VAL 1100Ca 0.35 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1p3b s VAL 1100Cb 0.28 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1p3b s VAL 1100CO 0.08 0.46 -0.17 -0.89 0.00 0.00 0.00 175.10 174.58 1p3b s THR 1101N -0.97 2.49 -0.26 3.92 2.01 -1.26 -5.03 115.64 116.54 1p3b s THR 1101Ca 0.16 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.20 1p3b s THR 1101Cb -0.11 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1p3b s THR 1101CO 0.06 0.53 0.28 -0.63 -0.69 0.00 0.00 174.62 174.17 1p3b s ILE 1102N 0.77 5.25 0.58 1.82 1.01 -1.26 -5.06 121.20 124.31 1p3b s ILE 1102Ca -0.07 0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 1p3b s ILE 1102Cb -0.16 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1p3b s ILE 1102CO 0.00 0.23 1.27 0.00 0.00 0.00 0.00 174.94 176.44 1p3b s ALA 1103N 1.68 2.63 -0.96 9.38 0.00 -1.26 -2.78 121.76 130.45 1p3b s ALA 1103Ca 0.12 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 1p3b s ALA 1103Cb -0.15 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1p3b s ALA 1103CO 0.09 -1.28 0.04 1.04 0.00 0.00 0.00 175.76 175.65 1p3b n GLN 1104N -1.39 -2.42 -0.02 0.00 1.13 -1.26 -4.80 117.38 108.62 1p3b n GLN 1104Ca 0.13 0.52 -0.02 0.00 -1.94 0.00 0.00 57.00 55.69 1p3b n GLN 1104Cb 0.48 -5.12 -0.12 0.00 0.11 0.00 0.00 30.24 25.58 1p3b n GLN 1104CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3b n GLY 1105N -0.81 -1.09 7.00 1.08 0.00 -1.12 -3.30 105.19 106.96 1p3b n GLY 1105Ca -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1p3b n GLY 1105CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3b n GLY 1106N 1.49 -0.81 3.07 -0.02 0.00 -1.26 -4.42 105.19 103.23 1p3b n GLY 1106Ca -0.16 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 1p3b n GLY 1106CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3b s VAL 1107N 0.00 0.16 0.27 1.61 -7.23 -1.26 -5.04 120.40 108.91 1p3b s VAL 1107Ca 0.00 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 1p3b s VAL 1107Cb 0.00 -0.96 -0.10 0.00 0.56 0.00 0.00 36.38 35.88 1p3b s VAL 1107CO 0.00 -0.73 1.43 -0.76 -0.31 0.00 0.00 175.10 174.73 1p3b s LEU 1108N -2.25 4.39 0.06 1.32 1.43 -1.26 -4.89 118.68 117.48 1p3b s LEU 1108Ca -0.03 2.71 -0.30 0.00 -1.03 0.00 0.00 54.13 55.47 1p3b s LEU 1108Cb -0.00 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 1p3b s LEU 1108CO -0.06 -0.70 1.94 -2.84 0.23 0.00 0.00 176.35 174.92 1p3b s PRO 1109N -0.68 4.14 -0.29 1.29 0.02 -1.26 -4.96 135.00 133.26 1p3b s PRO 1109Ca 0.58 2.62 -0.14 0.00 0.02 0.00 0.00 61.00 64.07 1p3b s PRO 1109Cb -0.42 -4.03 0.12 0.00 0.02 0.00 0.00 34.50 30.19 1p3b s PRO 1109CO 0.46 -0.93 0.80 1.21 -0.33 0.00 0.00 177.00 178.20 1p3b s ASN 1110N 4.05 -0.83 -0.16 2.53 2.47 -1.26 -5.15 114.94 116.60 1p3b s ASN 1110Ca 0.87 1.25 -0.00 0.00 0.42 0.00 0.00 52.86 55.40 1p3b s ASN 1110Cb -0.44 1.59 0.03 0.00 -1.45 0.00 0.00 41.25 40.99 1p3b s ASN 1110CO 0.40 -0.19 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.89 1p3b s ILE 1111N 1.96 1.25 -0.24 -5.21 1.01 -1.26 -5.10 121.20 113.61 1p3b s ILE 1111Ca -0.08 -0.61 -0.40 0.00 0.00 0.00 0.00 60.65 59.56 1p3b s ILE 1111Cb -0.06 -1.33 -0.16 0.00 0.01 0.00 0.00 42.46 40.92 1p3b s ILE 1111CO -0.18 0.24 1.68 0.00 0.00 0.00 0.00 174.94 176.68 1p3b n GLN 1112N 4.84 1.08 -0.34 2.79 1.13 -1.26 -4.83 117.38 120.80 1p3b n GLN 1112Ca -0.13 0.40 0.01 0.00 -1.94 0.00 0.00 57.00 55.33 1p3b n GLN 1112Cb 0.48 -2.06 0.07 0.00 0.11 0.00 0.00 30.24 28.84 1p3b n GLN 1112CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1p3b h SER 1113N 6.74 -1.17 0.00 1.08 4.64 -1.98 0.41 113.55 123.26 1p3b h SER 1113Ca -0.47 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1p3b h SER 1113Cb 1.32 0.66 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 1p3b h SER 1113CO 0.94 -0.30 0.06 0.55 -0.87 0.00 0.00 176.83 177.20 1p3b n VAL 1114N -5.52 1.15 1.11 0.95 3.14 -1.26 -0.71 118.33 117.19 1p3b n VAL 1114Ca 0.11 0.35 0.12 0.00 -2.96 0.00 0.00 64.34 61.96 1p3b n VAL 1114Cb 0.43 -1.35 0.17 0.00 -1.06 0.00 0.00 33.84 32.03 1p3b n VAL 1114CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1p3b n LEU 1115N -1.26 1.51 -4.86 6.55 4.77 0.14 -4.93 117.00 118.92 1p3b n LEU 1115Ca 0.00 -0.51 -0.32 0.00 -0.03 0.00 0.00 56.01 55.15 1p3b n LEU 1115Cb 0.06 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1p3b n LEU 1115CO 0.00 0.29 0.36 -0.76 -1.33 0.00 0.00 177.39 175.95 1p3b s LEU 1116N -2.52 4.06 0.69 2.23 1.43 0.12 -5.06 118.68 119.63 1p3b s LEU 1116Ca 0.20 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.31 1p3b s LEU 1116Cb 0.18 -3.96 0.02 0.00 0.03 0.00 0.00 46.19 42.47 1p3b s LEU 1116CO 0.57 -0.19 1.14 -2.16 0.23 0.00 0.00 176.35 175.93 1p3b s PRO 1117N -3.06 2.53 0.00 1.29 0.04 -1.26 -5.05 135.00 129.49 1p3b s PRO 1117Ca 0.52 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1p3b s PRO 1117Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1p3b s PRO 1117CO 0.20 -1.48 0.00 1.63 0.04 0.00 0.00 177.00 177.39 1p3b n LYS 1118N -2.60 1.99 0.00 4.56 5.02 -1.26 -5.16 118.16 120.71 1p3b n LYS 1118Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1p3b n LYS 1118Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1p3b n LYS 1118CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05