#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3g n LYS 1013N 0.00 -1.29 0.00 0.00 4.01 -1.26 -5.10 118.16 114.52 1p3g n LYS 1013Ca 0.00 1.32 0.00 0.00 -0.51 0.00 0.00 58.31 59.12 1p3g n LYS 1013Cb 0.00 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 1p3g n LYS 1013CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1p3g n ALA 1014N 0.46 0.00 -2.82 7.82 0.00 -1.26 -5.17 120.51 119.54 1p3g n ALA 1014Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 1p3g n ALA 1014Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 1p3g n ALA 1014CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1p3g s LYS 1015N 0.00 3.66 0.58 0.00 2.47 -1.26 -5.08 119.74 120.11 1p3g s LYS 1015Ca 0.00 -0.19 -0.19 0.00 -1.56 0.00 0.00 55.97 54.03 1p3g s LYS 1015Cb 0.00 -3.23 -0.04 0.00 -1.46 0.00 0.00 37.83 33.10 1p3g s LYS 1015CO 0.00 0.60 1.21 0.95 0.16 0.00 0.00 175.35 178.28 1p3g s THR 1016N -0.53 2.62 0.21 3.43 -4.23 -1.26 -4.90 115.64 110.99 1p3g s THR 1016Ca 0.12 0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 60.95 1p3g s THR 1016Cb -0.12 -3.17 0.16 0.00 1.34 0.00 0.00 72.50 70.72 1p3g s THR 1016CO 0.02 -0.07 1.80 0.03 -0.54 0.00 0.00 174.62 175.85 1p3g h ARG 1017N 1.00 1.17 -0.87 3.99 3.08 -1.99 -1.99 114.38 118.77 1p3g h ARG 1017Ca -0.50 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 59.41 1p3g h ARG 1017Cb 1.29 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 1p3g h ARG 1017CO 0.56 0.92 0.57 0.77 -1.07 0.00 0.00 179.97 181.71 1p3g h SER 1018N 1.14 0.89 -0.06 7.04 0.02 -1.87 -0.42 113.55 120.29 1p3g h SER 1018Ca 0.27 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.09 1p3g h SER 1018Cb 0.15 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1p3g h SER 1018CO -0.03 0.59 -0.40 0.77 -1.14 0.00 0.00 176.83 176.62 1p3g h SER 1019N 1.02 0.62 -0.33 3.07 4.64 -1.62 0.46 113.55 121.42 1p3g h SER 1019Ca 0.37 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1p3g h SER 1019Cb 0.14 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1p3g h SER 1019CO -0.13 0.95 0.11 0.03 -0.87 0.00 0.00 176.83 176.93 1p3g h ARG 1020N 0.48 0.51 0.00 4.77 3.08 -0.51 -1.29 114.38 121.42 1p3g h ARG 1020Ca 0.04 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1p3g h ARG 1020Cb 0.91 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1p3g h ARG 1020CO 0.08 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.52 1p3g n ALA 1021N -2.30 2.21 -3.16 0.04 0.00 -0.29 -4.88 120.51 112.14 1p3g n ALA 1021Ca -0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1p3g n ALA 1021Cb 0.16 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.29 1p3g n ALA 1021CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3g n GLY 1022N 0.74 -0.14 3.40 0.00 0.00 0.04 -5.03 105.19 104.21 1p3g n GLY 1022Ca 0.11 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1p3g n GLY 1022CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3g s LEU 1023N -5.36 2.50 -0.02 0.99 1.43 0.14 -5.00 118.68 113.37 1p3g s LEU 1023Ca 0.20 -0.94 0.06 0.00 -1.03 0.00 0.00 54.13 52.42 1p3g s LEU 1023Cb -0.09 -0.99 -0.24 0.00 0.03 0.00 0.00 46.19 44.91 1p3g s LEU 1023CO 0.53 0.01 0.77 1.56 0.23 0.00 0.00 176.35 179.45 1p3g h GLN 1024N 2.83 0.08 -7.03 1.70 1.08 -1.96 -3.38 115.11 108.43 1p3g h GLN 1024Ca -0.42 -0.14 -0.48 0.00 -1.45 0.00 0.00 58.65 56.16 1p3g h GLN 1024Cb 1.23 0.05 0.03 0.00 -0.05 0.00 0.00 27.48 28.74 1p3g h GLN 1024CO 0.54 0.79 0.40 -0.06 -0.95 0.00 0.00 178.83 179.55 1p3g s PHE 1025N -2.62 3.06 -0.81 2.96 0.40 -1.26 -4.98 117.98 114.74 1p3g s PHE 1025Ca -0.07 1.60 -0.25 0.00 -0.60 0.00 0.00 56.93 57.60 1p3g s PHE 1025Cb 0.08 -3.12 0.01 0.00 0.51 0.00 0.00 43.02 40.50 1p3g s PHE 1025CO 0.82 -0.84 1.58 -1.25 0.70 0.00 0.00 175.22 176.23 1p3g s PRO 1026N -2.95 3.05 0.17 0.24 0.04 -1.26 -4.72 135.00 129.57 1p3g s PRO 1026Ca 0.64 -0.28 -0.14 0.00 0.04 0.00 0.00 61.00 61.25 1p3g s PRO 1026Cb -0.19 -4.70 0.06 0.00 0.04 0.00 0.00 34.50 29.70 1p3g s PRO 1026CO 0.24 -2.53 1.83 0.28 0.04 0.00 0.00 177.00 176.86 1p3g h VAL 1027N 6.66 1.13 -0.86 -0.36 2.07 -1.93 0.05 116.25 123.01 1p3g h VAL 1027Ca -0.08 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.26 1p3g h VAL 1027Cb 1.06 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1p3g h VAL 1027CO 1.29 0.12 0.56 1.23 0.02 0.00 0.00 177.57 180.80 1p3g h GLY 1028N 0.68 1.22 0.83 2.17 0.00 -1.93 0.31 103.07 106.36 1p3g h GLY 1028Ca 0.19 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 1p3g h GLY 1028CO -0.04 0.31 -0.45 -0.09 0.00 0.00 0.00 176.54 176.26 1p3g h ARG 1029N 0.99 0.48 -0.75 4.80 2.43 -1.82 -1.23 114.38 119.29 1p3g h ARG 1029Ca 0.36 -0.39 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1p3g h ARG 1029Cb 0.16 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1p3g h ARG 1029CO -0.12 1.02 0.47 0.28 -1.51 0.00 0.00 179.97 180.10 1p3g h VAL 1030N 0.06 1.09 -0.61 0.20 2.07 -0.71 0.40 116.25 118.75 1p3g h VAL 1030Ca -0.03 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1p3g h VAL 1030Cb 1.10 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1p3g h VAL 1030CO 0.09 0.16 0.31 -0.74 0.02 0.00 0.00 177.57 177.42 1p3g h HIS 1031N 0.90 0.86 -0.39 1.57 -0.00 -0.88 0.22 115.15 117.42 1p3g h HIS 1031Ca 0.30 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.63 1p3g h HIS 1031Cb 0.05 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.17 1p3g h HIS 1031CO -0.04 0.63 0.18 -0.09 -0.00 0.00 0.00 177.93 178.62 1p3g h ARG 1032N 0.83 0.57 -0.13 5.26 2.43 0.06 -2.36 114.38 121.04 1p3g h ARG 1032Ca 0.21 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1p3g h ARG 1032Cb 0.08 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1p3g h ARG 1032CO -0.03 0.51 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.67 1p3g h LEU 1033N 0.49 0.21 -0.17 3.80 3.38 0.13 -1.67 115.31 121.48 1p3g h LEU 1033Ca 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1p3g h LEU 1033Cb 0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1p3g h LEU 1033CO -0.02 0.43 -0.08 -0.07 0.09 0.00 0.00 178.44 178.79 1p3g h LEU 1034N 0.20 0.36 0.86 1.67 3.38 -0.62 -2.57 115.31 118.59 1p3g h LEU 1034Ca 0.04 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1p3g h LEU 1034Cb 0.47 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1p3g h LEU 1034CO 0.03 0.69 -0.41 0.03 0.09 0.00 0.00 178.44 178.87 1p3g h ARG 1035N 0.03 -1.11 0.00 1.13 3.08 -1.21 -2.66 114.38 113.63 1p3g h ARG 1035Ca 0.04 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1p3g h ARG 1035Cb 0.56 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1p3g h ARG 1035CO 0.02 -0.74 0.00 1.63 -1.07 0.00 0.00 179.97 179.81 1p3g n LYS 1036N -5.12 0.37 0.03 0.04 5.02 -0.65 -1.99 118.16 115.86 1p3g n LYS 1036Ca -0.14 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.26 1p3g n LYS 1036Cb 0.45 -1.29 0.03 0.00 -0.02 0.00 0.00 35.03 34.20 1p3g n LYS 1036CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p3g n GLY 1037N -0.21 -1.23 2.69 0.72 0.00 -0.97 -5.00 105.19 101.19 1p3g n GLY 1037Ca 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 1p3g n GLY 1037CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p3g n ASN 1038N -2.02 -6.12 -0.01 1.61 5.03 -0.84 -4.97 115.26 107.95 1p3g n ASN 1038Ca 0.02 -0.16 0.02 0.00 0.87 0.00 0.00 54.58 55.33 1p3g n ASN 1038Cb 0.45 -4.16 -0.04 0.00 -1.02 0.00 0.00 39.78 35.00 1p3g n ASN 1038CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1p3g n TYR 1039N -1.84 0.00 -3.65 3.10 4.02 -1.26 -5.08 117.16 112.45 1p3g n TYR 1039Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.83 1p3g n TYR 1039Cb 0.52 -0.14 -0.01 0.00 -0.02 0.00 0.00 39.34 39.68 1p3g n TYR 1039CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p3g s ALA 1040N -2.35 -1.80 0.09 -0.72 0.00 -1.26 -5.04 121.76 110.67 1p3g s ALA 1040Ca -0.02 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.32 1p3g s ALA 1040Cb 0.03 0.49 -0.07 0.00 0.00 0.00 0.00 23.12 23.57 1p3g s ALA 1040CO 0.23 -0.91 1.52 0.93 0.00 0.00 0.00 175.76 177.53 1p3g h GLU 1041N 2.00 0.49 -5.74 0.00 4.39 -1.99 -3.46 114.58 110.27 1p3g h GLU 1041Ca -0.23 -0.16 -0.49 0.00 0.34 0.00 0.00 59.36 58.81 1p3g h GLU 1041Cb 1.23 -0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.69 1p3g h GLU 1041CO 0.27 0.66 -0.74 1.03 -1.16 0.00 0.00 179.01 179.07 1p3g s ARG 1042N -4.95 1.40 -0.10 2.33 0.52 -1.26 -5.13 118.95 111.76 1p3g s ARG 1042Ca -0.13 -1.61 -0.02 0.00 -0.52 0.00 0.00 55.73 53.45 1p3g s ARG 1042Cb 0.08 -1.28 0.03 0.00 0.52 0.00 0.00 34.95 34.30 1p3g s ARG 1042CO 0.76 0.23 0.00 0.08 0.02 0.00 0.00 175.30 176.38 1p3g s VAL 1043N -2.78 0.46 1.12 3.52 1.01 -1.26 -5.07 120.40 117.41 1p3g s VAL 1043Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 1p3g s VAL 1043Cb -0.02 -0.67 0.26 0.00 0.00 0.00 0.00 36.38 35.95 1p3g s VAL 1043CO 0.09 0.19 1.05 -0.83 0.00 0.00 0.00 175.10 175.59 1p3g s GLY 1044N 1.93 1.56 0.18 4.51 0.00 -1.26 -4.94 107.32 109.30 1p3g s GLY 1044Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.72 1p3g s GLY 1044CO -0.06 0.62 1.41 0.00 0.00 0.00 0.00 173.10 175.08 1p3g h ALA 1045N -2.49 0.58 0.00 3.20 0.00 -2.04 -3.32 119.26 115.19 1p3g h ALA 1045Ca -0.59 -0.67 -0.19 0.00 0.00 0.00 0.00 54.91 53.47 1p3g h ALA 1045Cb 1.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1p3g h ALA 1045CO 0.50 0.84 -0.85 0.78 0.00 0.00 0.00 179.25 180.51 1p3g h GLY 1046N 1.60 0.13 -0.02 0.00 0.00 -2.01 -3.37 103.07 99.40 1p3g h GLY 1046Ca -0.04 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.12 1p3g h GLY 1046CO 0.13 0.21 -0.30 0.00 0.00 0.00 0.00 176.54 176.57 1p3g h ALA 1047N 1.06 -0.21 0.00 3.60 0.00 -1.95 0.33 119.26 122.09 1p3g h ALA 1047Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1p3g h ALA 1047Cb 1.48 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 1p3g h ALA 1047CO 0.12 -0.73 -0.10 -1.00 0.00 0.00 0.00 179.25 177.55 1p3g h PRO 1048N -0.28 0.00 0.24 0.00 0.13 -1.77 0.30 132.00 130.62 1p3g h PRO 1048Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1p3g h PRO 1048Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1p3g h PRO 1048CO -0.46 0.10 -0.12 0.28 -0.23 0.00 0.00 178.00 177.57 1p3g h VAL 1049N 0.00 0.67 -0.32 1.56 2.07 -1.30 -1.39 116.25 117.53 1p3g h VAL 1049Ca -0.00 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1p3g h VAL 1049Cb 0.19 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1p3g h VAL 1049CO 0.01 0.16 0.08 0.22 0.02 0.00 0.00 177.57 178.06 1p3g h TYR 1050N -0.88 0.13 -0.28 1.57 3.20 -0.11 -0.25 116.97 120.36 1p3g h TYR 1050Ca -0.03 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1p3g h TYR 1050Cb 0.51 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1p3g h TYR 1050CO 0.06 0.04 -0.16 1.25 -1.64 0.00 0.00 178.16 177.70 1p3g h LEU 1051N 0.20 0.48 -0.58 2.82 5.85 -0.48 -1.59 115.31 122.00 1p3g h LEU 1051Ca 0.15 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1p3g h LEU 1051Cb 0.15 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1p3g h LEU 1051CO -0.18 0.66 -0.55 0.00 -0.34 0.00 0.00 178.44 178.03 1p3g h ALA 1052N 1.38 0.76 -0.82 1.25 0.00 -0.69 -2.39 119.26 118.76 1p3g h ALA 1052Ca 0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1p3g h ALA 1052Cb 0.54 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1p3g h ALA 1052CO 0.03 0.69 0.44 0.00 0.00 0.00 0.00 179.25 180.41 1p3g h ALA 1053N 1.06 1.22 -0.17 0.00 0.00 -0.50 -1.18 119.26 119.68 1p3g h ALA 1053Ca 0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1p3g h ALA 1053Cb 1.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1p3g h ALA 1053CO 0.10 0.62 -0.45 0.28 0.00 0.00 0.00 179.25 179.80 1p3g h VAL 1054N 1.15 1.32 -0.06 0.00 2.07 -1.01 -1.86 116.25 117.86 1p3g h VAL 1054Ca 0.29 -1.64 -0.20 0.00 0.82 0.00 0.00 66.70 65.97 1p3g h VAL 1054Cb 0.05 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1p3g h VAL 1054CO -0.04 0.50 -0.80 -0.07 0.02 0.00 0.00 177.57 177.18 1p3g h LEU 1055N 0.35 0.51 -0.17 2.57 3.38 -1.02 -2.33 115.31 118.60 1p3g h LEU 1055Ca 0.02 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1p3g h LEU 1055Cb 0.93 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1p3g h LEU 1055CO 0.08 1.12 -0.03 -0.08 0.09 0.00 0.00 178.44 179.62 1p3g h GLU 1056N 0.27 0.32 -0.36 1.13 4.81 -1.14 -1.37 114.58 118.23 1p3g h GLU 1056Ca -0.05 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1p3g h GLU 1056Cb 1.40 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.71 1p3g h GLU 1056CO 0.14 0.58 0.09 -0.92 -0.73 0.00 0.00 179.01 178.17 1p3g h TYR 1057N 0.03 0.15 -0.54 0.92 3.20 -1.31 -0.20 116.97 119.23 1p3g h TYR 1057Ca 0.04 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1p3g h TYR 1057Cb 0.46 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1p3g h TYR 1057CO 0.05 0.04 0.03 -0.07 -1.64 0.00 0.00 178.16 176.57 1p3g h LEU 1058N 0.22 0.86 -0.89 2.82 3.38 -1.38 -0.81 115.31 119.50 1p3g h LEU 1058Ca 0.17 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1p3g h LEU 1058Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1p3g h LEU 1058CO -0.21 0.90 0.22 0.74 0.09 0.00 0.00 178.44 180.18 1p3g h THR 1059N 0.83 1.25 -0.32 0.22 2.02 -0.65 -2.26 112.91 114.00 1p3g h THR 1059Ca 0.16 -0.84 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 1p3g h THR 1059Cb 0.45 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1p3g h THR 1059CO 0.02 0.33 -0.19 0.00 0.37 0.00 0.00 175.52 176.05 1p3g h ALA 1060N 1.23 0.46 -0.60 6.16 0.00 -0.59 -2.15 119.26 123.77 1p3g h ALA 1060Ca 0.22 -0.35 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1p3g h ALA 1060Cb 0.27 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1p3g h ALA 1060CO -0.01 0.39 0.18 1.49 0.00 0.00 0.00 179.25 181.30 1p3g h GLU 1061N 0.46 0.33 -0.04 0.00 4.57 -0.73 0.28 114.58 119.44 1p3g h GLU 1061Ca 0.07 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1p3g h GLU 1061Cb 0.73 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1p3g h GLU 1061CO 0.05 0.22 -0.17 0.82 -1.18 0.00 0.00 179.01 178.75 1p3g h ILE 1062N 0.34 1.46 -0.99 2.32 2.04 -1.37 -2.84 117.51 118.47 1p3g h ILE 1062Ca 0.31 -1.62 0.06 0.00 1.00 0.00 0.00 64.86 64.61 1p3g h ILE 1062Cb 0.42 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 1p3g h ILE 1062CO -0.35 0.45 0.64 -0.07 0.00 0.00 0.00 178.15 178.82 1p3g h LEU 1063N -0.36 1.04 -0.52 1.44 3.38 -1.09 0.50 115.31 119.68 1p3g h LEU 1063Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1p3g h LEU 1063Cb 0.81 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1p3g h LEU 1063CO 0.04 0.68 0.33 -0.08 0.09 0.00 0.00 178.44 179.49 1p3g h GLU 1064N 1.18 0.70 -0.12 1.13 4.57 -0.48 0.15 114.58 121.72 1p3g h GLU 1064Ca 0.41 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.38 1p3g h GLU 1064Cb 0.12 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1p3g h GLU 1064CO -0.15 0.49 -0.57 -0.07 -1.18 0.00 0.00 179.01 177.53 1p3g h LEU 1065N 0.71 0.70 -1.50 1.64 3.38 -1.02 -2.92 115.31 116.30 1p3g h LEU 1065Ca 0.19 -0.64 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1p3g h LEU 1065Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1p3g h LEU 1065CO -0.04 1.23 -0.25 0.00 0.09 0.00 0.00 178.44 179.47 1p3g h ALA 1066N 0.49 1.58 -0.07 1.53 0.00 0.07 -2.27 119.26 120.60 1p3g h ALA 1066Ca -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1p3g h ALA 1066Cb 1.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1p3g h ALA 1066CO 0.12 0.31 0.03 0.78 0.00 0.00 0.00 179.25 180.49 1p3g h GLY 1067N 0.76 0.10 1.46 0.00 0.00 -0.67 -1.77 103.07 102.95 1p3g h GLY 1067Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.30 1p3g h GLY 1067CO 0.03 0.05 0.30 3.43 0.00 0.00 0.00 176.54 180.36 1p3g h ASN 1068N -0.04 0.44 0.48 0.19 2.35 -1.23 0.30 115.58 118.08 1p3g h ASN 1068Ca 0.02 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1p3g h ASN 1068Cb 0.15 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1p3g h ASN 1068CO -0.00 0.31 -0.41 0.00 -1.65 0.00 0.00 177.43 175.67 1p3g h ALA 1069N 1.74 1.25 -0.04 -0.83 0.00 -1.04 0.12 119.26 120.45 1p3g h ALA 1069Ca 0.18 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1p3g h ALA 1069Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1p3g h ALA 1069CO -0.04 0.51 -0.28 0.00 0.00 0.00 0.00 179.25 179.44 1p3g h ALA 1070N 1.59 0.09 0.14 0.00 0.00 -0.14 -2.90 119.26 118.03 1p3g h ALA 1070Ca -0.00 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1p3g h ALA 1070Cb 0.76 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1p3g h ALA 1070CO 0.05 0.13 -0.28 -0.09 0.00 0.00 0.00 179.25 179.06 1p3g h ARG 1071N -0.30 -0.49 0.00 0.00 2.43 -0.71 0.21 114.38 115.52 1p3g h ARG 1071Ca -0.02 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1p3g h ARG 1071Cb 0.96 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1p3g h ARG 1071CO 0.06 -0.33 0.24 -0.25 -1.51 0.00 0.00 179.97 178.17 1p3g n ASP 1072N -5.40 0.40 -0.80 -3.80 8.00 0.40 0.09 116.55 115.44 1p3g n ASP 1072Ca -0.07 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.12 1p3g n ASP 1072Cb 0.31 -0.58 0.22 0.00 -0.02 0.00 0.00 41.12 41.05 1p3g n ASP 1072CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1p3g n ASN 1073N -2.12 3.55 -2.63 -2.24 3.02 -0.38 -4.93 115.26 109.53 1p3g n ASN 1073Ca -0.01 -2.67 -0.21 0.00 -0.03 0.00 0.00 54.58 51.67 1p3g n ASN 1073Cb 0.26 -0.43 0.01 0.00 -0.61 0.00 0.00 39.78 39.01 1p3g n ASN 1073CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p3g n LYS 1074N -0.16 -3.32 -4.51 3.52 4.76 0.11 -4.99 118.16 113.58 1p3g n LYS 1074Ca 0.18 0.92 -0.26 0.00 -2.87 0.00 0.00 58.31 56.29 1p3g n LYS 1074Cb 0.73 -5.64 -0.13 0.00 -1.84 0.00 0.00 35.03 28.15 1p3g n LYS 1074CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1p3g s LYS 1075N -5.36 1.32 -0.05 1.97 1.02 -0.08 -5.03 119.74 113.54 1p3g s LYS 1075Ca 0.16 -1.07 0.18 0.00 0.02 0.00 0.00 55.97 55.25 1p3g s LYS 1075Cb -0.07 -1.53 -0.27 0.00 -0.52 0.00 0.00 37.83 35.45 1p3g s LYS 1075CO 0.20 0.38 0.34 0.25 -0.92 0.00 0.00 175.35 175.59 1p3g n THR 1076N 1.48 0.18 -3.66 2.17 -2.24 -1.26 -3.38 114.28 107.57 1p3g n THR 1076Ca -0.18 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 60.77 1p3g n THR 1076Cb 0.53 -0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 1p3g n THR 1076CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1p3g s ARG 1077N -3.11 3.87 -0.07 -0.78 3.52 -1.26 -5.01 118.95 116.11 1p3g s ARG 1077Ca -0.07 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 1p3g s ARG 1077Cb 0.10 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.91 1p3g s ARG 1077CO 0.74 -0.15 1.65 0.42 -0.81 0.00 0.00 175.30 177.15 1p3g s ILE 1078N 1.61 3.60 0.44 4.11 1.01 -1.26 -5.01 121.20 125.70 1p3g s ILE 1078Ca 0.07 0.72 0.07 0.00 0.00 0.00 0.00 60.65 61.51 1p3g s ILE 1078Cb -0.15 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1p3g s ILE 1078CO 0.08 -0.08 0.22 0.27 0.00 0.00 0.00 174.94 175.43 1p3g s ILE 1079N 4.17 2.17 0.23 2.92 -4.36 -1.26 -5.01 121.20 120.06 1p3g s ILE 1079Ca 0.73 -1.65 -0.07 0.00 -0.26 0.00 0.00 60.65 59.40 1p3g s ILE 1079Cb -0.32 -2.82 0.22 0.00 1.25 0.00 0.00 42.46 40.79 1p3g s ILE 1079CO 0.29 0.00 1.67 -0.65 0.24 0.00 0.00 174.94 176.49 1p3g h PRO 1080N 1.28 0.19 -0.68 0.37 0.11 -1.89 -0.24 132.00 131.14 1p3g h PRO 1080Ca -0.42 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.82 1p3g h PRO 1080Cb 1.27 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 1p3g h PRO 1080CO 0.67 0.12 0.14 -0.09 -0.21 0.00 0.00 178.00 178.64 1p3g h ARG 1081N 0.19 0.25 -0.98 1.05 9.65 -1.81 0.22 114.38 122.95 1p3g h ARG 1081Ca 0.38 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.30 1p3g h ARG 1081Cb 0.64 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.10 1p3g h ARG 1081CO -0.53 0.16 0.63 0.45 2.80 0.00 0.00 179.97 183.48 1p3g h HIS 1082N 0.25 1.18 -0.41 2.20 3.86 -1.39 -0.42 115.15 120.43 1p3g h HIS 1082Ca 0.37 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.54 1p3g h HIS 1082Cb 0.61 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1p3g h HIS 1082CO -0.27 0.62 -0.04 -0.07 0.86 0.00 0.00 177.93 179.04 1p3g h LEU 1083N 1.17 0.74 0.08 2.43 3.38 -0.35 -1.39 115.31 121.36 1p3g h LEU 1083Ca 0.42 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1p3g h LEU 1083Cb 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1p3g h LEU 1083CO -0.16 0.89 -0.04 -0.61 0.09 0.00 0.00 178.44 178.61 1p3g h GLN 1084N 0.57 -0.11 -0.95 1.13 5.75 -0.55 -1.19 115.11 119.76 1p3g h GLN 1084Ca 0.11 0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.73 1p3g h GLN 1084Cb 0.54 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 29.03 1p3g h GLN 1084CO 0.03 -0.04 0.58 -0.07 -2.65 0.00 0.00 178.83 176.68 1p3g h LEU 1085N -0.14 0.84 -0.39 -2.39 3.38 -0.99 -1.30 115.31 114.31 1p3g h LEU 1085Ca -0.01 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1p3g h LEU 1085Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1p3g h LEU 1085CO 0.02 0.45 -0.07 0.00 0.09 0.00 0.00 178.44 178.93 1p3g h ALA 1086N 1.52 0.53 0.59 1.53 0.00 -0.89 -3.04 119.26 119.50 1p3g h ALA 1086Ca 0.47 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1p3g h ALA 1086Cb 0.47 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1p3g h ALA 1086CO -0.27 0.37 -0.28 0.28 0.00 0.00 0.00 179.25 179.35 1p3g h VAL 1087N 0.55 0.00 0.00 0.00 2.07 -0.56 -3.15 116.25 115.16 1p3g h VAL 1087Ca 0.10 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1p3g h VAL 1087Cb 0.57 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1p3g h VAL 1087CO 0.03 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.16 1p3g n ARG 1088N -5.03 0.28 0.00 1.57 5.12 -0.55 -1.10 116.66 116.95 1p3g n ARG 1088Ca -0.10 0.08 0.09 0.00 -1.93 0.00 0.00 57.85 55.99 1p3g n ARG 1088Cb 0.31 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.10 1p3g n ARG 1088CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1p3g n ASN 1089N -1.13 1.73 -4.33 0.55 3.02 -1.15 -4.85 115.26 109.11 1p3g n ASN 1089Ca 0.07 -1.37 -0.37 0.00 -0.03 0.00 0.00 54.58 52.89 1p3g n ASN 1089Cb 0.06 0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 39.62 1p3g n ASN 1089CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p3g s ASP 1090N -2.20 5.02 0.17 6.41 2.15 -0.25 -5.01 116.67 122.95 1p3g s ASP 1090Ca 0.15 -0.71 -0.25 0.00 0.43 0.00 0.00 52.55 52.17 1p3g s ASP 1090Cb 0.15 -1.85 0.05 0.00 -0.30 0.00 0.00 42.92 40.96 1p3g s ASP 1090CO 0.50 -0.18 1.57 -0.08 -0.17 0.00 0.00 175.17 176.82 1p3g h GLU 1091N 8.20 -0.22 -0.10 4.34 4.81 -1.89 0.98 114.58 130.71 1p3g h GLU 1091Ca -0.32 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1p3g h GLU 1091Cb 1.13 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1p3g h GLU 1091CO 0.60 -0.15 0.01 0.93 -0.73 0.00 0.00 179.01 179.67 1p3g h GLU 1092N -0.23 0.16 -0.80 1.92 5.08 -1.95 -1.14 114.58 117.63 1p3g h GLU 1092Ca 0.18 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1p3g h GLU 1092Cb 0.56 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1p3g h GLU 1092CO -0.67 0.39 0.32 -0.07 -1.00 0.00 0.00 179.01 177.98 1p3g h LEU 1093N -0.09 1.10 -0.79 1.33 3.38 -1.78 -0.18 115.31 118.28 1p3g h LEU 1093Ca 0.03 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1p3g h LEU 1093Cb 0.32 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1p3g h LEU 1093CO 0.00 0.98 0.51 -1.13 0.09 0.00 0.00 178.44 178.89 1p3g h ASN 1094N 1.16 0.85 -0.40 -0.43 -1.24 -0.68 0.71 115.58 115.56 1p3g h ASN 1094Ca 0.27 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.20 1p3g h ASN 1094Cb 0.22 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1p3g h ASN 1094CO -0.02 0.59 -0.01 0.50 -1.29 0.00 0.00 177.43 177.20 1p3g h LYS 1095N 1.00 0.71 -0.15 6.67 3.64 -0.49 -0.52 116.57 127.43 1p3g h LYS 1095Ca 0.31 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1p3g h LYS 1095Cb -0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1p3g h LYS 1095CO -0.10 0.80 -0.01 1.25 -2.27 0.00 0.00 179.45 179.12 1p3g h LEU 1096N 0.54 0.19 -3.61 5.20 5.85 -0.32 -1.91 115.31 121.24 1p3g h LEU 1096Ca 0.11 -0.02 -0.36 0.00 0.84 0.00 0.00 57.88 58.45 1p3g h LEU 1096Cb 0.48 -0.05 -0.21 0.00 0.37 0.00 0.00 40.66 41.25 1p3g h LEU 1096CO 0.02 0.24 0.08 0.18 -0.34 0.00 0.00 178.44 178.62 1p3g n LEU 1097N -4.40 5.21 0.25 2.25 4.77 0.17 -4.71 117.00 120.55 1p3g n LEU 1097Ca -0.01 -3.97 0.15 0.00 -0.03 0.00 0.00 56.01 52.15 1p3g n LEU 1097Cb 0.17 -0.68 0.84 0.00 -2.33 0.00 0.00 43.42 41.42 1p3g n LEU 1097CO 0.36 1.39 1.13 1.23 -1.33 0.00 0.00 177.39 180.17 1p3g h GLY 1098N 1.31 0.00 -1.77 -0.72 0.00 -0.25 -2.30 103.07 99.34 1p3g h GLY 1098Ca 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.55 1p3g h GLY 1098CO 0.74 0.00 -0.56 0.54 0.00 0.00 0.00 176.54 177.26 1p3g n ARG 1099N -3.95 2.13 -4.84 4.80 1.74 -1.26 -5.01 116.66 110.26 1p3g n ARG 1099Ca -0.01 -3.53 -0.31 0.00 -0.77 0.00 0.00 57.85 53.23 1p3g n ARG 1099Cb 0.19 -1.80 -0.14 0.00 -1.02 0.00 0.00 32.46 29.69 1p3g n ARG 1099CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p3g s VAL 1100N -3.60 2.65 -0.19 1.55 1.01 -0.87 -5.12 120.40 115.83 1p3g s VAL 1100Ca 0.42 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1p3g s VAL 1100Cb 0.38 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1p3g s VAL 1100CO -0.04 0.44 -0.17 -0.89 0.00 0.00 0.00 175.10 174.44 1p3g s THR 1101N -0.82 2.30 -0.49 3.92 2.01 -1.26 -5.04 115.64 116.26 1p3g s THR 1101Ca 0.13 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 61.00 1p3g s THR 1101Cb -0.10 -2.01 0.04 0.00 0.01 0.00 0.00 72.50 70.44 1p3g s THR 1101CO 0.03 0.49 0.82 -0.63 -0.69 0.00 0.00 174.62 174.63 1p3g s ILE 1102N 1.31 4.59 0.61 1.82 1.01 -1.26 -5.04 121.20 124.25 1p3g s ILE 1102Ca 0.04 0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.76 1p3g s ILE 1102Cb -0.14 -4.40 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 1p3g s ILE 1102CO -0.11 -0.88 0.83 0.00 0.00 0.00 0.00 174.94 174.79 1p3g n ALA 1103N 6.91 -0.28 -3.27 9.38 0.00 -1.26 -1.93 120.51 130.06 1p3g n ALA 1103Ca 0.01 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 1p3g n ALA 1103Cb 0.47 -2.03 -0.00 0.00 0.00 0.00 0.00 19.45 17.90 1p3g n ALA 1103CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1p3g n GLN 1104N -0.87 -3.46 -0.02 0.00 1.13 -1.26 -4.83 117.38 108.09 1p3g n GLN 1104Ca 0.13 0.52 0.05 0.00 -1.94 0.00 0.00 57.00 55.76 1p3g n GLN 1104Cb 0.48 -5.23 -0.15 0.00 0.11 0.00 0.00 30.24 25.45 1p3g n GLN 1104CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3g n GLY 1105N -1.18 -1.05 7.00 1.08 0.00 -0.81 -3.26 105.19 106.96 1p3g n GLY 1105Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1p3g n GLY 1105CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3g n GLY 1106N 1.37 -0.50 3.67 -0.02 0.00 -1.26 -4.64 105.19 103.81 1p3g n GLY 1106Ca -0.11 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1p3g n GLY 1106CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3g s VAL 1107N 0.00 1.22 0.18 1.61 -7.23 -1.26 -5.03 120.40 109.88 1p3g s VAL 1107Ca 0.00 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.95 1p3g s VAL 1107Cb 0.00 -2.40 -0.08 0.00 0.56 0.00 0.00 36.38 34.46 1p3g s VAL 1107CO 0.00 0.00 0.73 -0.76 -0.31 0.00 0.00 175.10 174.76 1p3g s LEU 1108N -3.77 4.48 0.07 1.32 1.43 -1.26 -4.99 118.68 115.96 1p3g s LEU 1108Ca 0.17 1.50 -0.30 0.00 -1.03 0.00 0.00 54.13 54.46 1p3g s LEU 1108Cb 0.04 -3.36 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 1p3g s LEU 1108CO 0.09 0.14 1.85 -2.84 0.23 0.00 0.00 176.35 175.82 1p3g s PRO 1109N -1.50 4.15 -0.29 1.29 0.02 -1.26 -4.95 135.00 132.46 1p3g s PRO 1109Ca 0.38 2.54 -0.14 0.00 0.02 0.00 0.00 61.00 63.80 1p3g s PRO 1109Cb -0.20 -3.84 0.12 0.00 0.02 0.00 0.00 34.50 30.61 1p3g s PRO 1109CO 0.23 -0.87 0.79 1.21 -0.33 0.00 0.00 177.00 178.02 1p3g s ASN 1110N 3.38 -0.86 -0.15 2.53 2.47 -1.26 -5.14 114.94 115.91 1p3g s ASN 1110Ca 0.82 1.27 -0.00 0.00 0.42 0.00 0.00 52.86 55.37 1p3g s ASN 1110Cb -0.43 1.70 0.03 0.00 -1.45 0.00 0.00 41.25 41.10 1p3g s ASN 1110CO 0.37 -0.19 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.85 1p3g s ILE 1111N 2.14 1.27 0.14 -5.21 1.01 -1.26 -5.10 121.20 114.19 1p3g s ILE 1111Ca -0.07 -0.58 -0.35 0.00 0.00 0.00 0.00 60.65 59.65 1p3g s ILE 1111Cb -0.07 -1.32 -0.15 0.00 0.01 0.00 0.00 42.46 40.93 1p3g s ILE 1111CO -0.18 0.28 1.44 0.00 0.00 0.00 0.00 174.94 176.48 1p3g n GLN 1112N 4.84 1.69 -0.08 2.79 1.13 -1.26 -4.86 117.38 121.63 1p3g n GLN 1112Ca -0.14 0.61 -0.07 0.00 -1.94 0.00 0.00 57.00 55.46 1p3g n GLN 1112Cb 0.49 -2.30 -0.01 0.00 0.11 0.00 0.00 30.24 28.53 1p3g n GLN 1112CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1p3g h SER 1113N 5.06 -0.87 0.00 1.08 4.64 -1.99 -0.27 113.55 121.21 1p3g h SER 1113Ca -0.46 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1p3g h SER 1113Cb 1.29 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1p3g h SER 1113CO 0.82 -0.29 0.08 0.55 -0.87 0.00 0.00 176.83 177.12 1p3g n VAL 1114N -5.39 0.68 1.03 0.95 3.14 -1.26 -0.05 118.33 117.42 1p3g n VAL 1114Ca 0.00 0.25 0.11 0.00 -2.96 0.00 0.00 64.34 61.74 1p3g n VAL 1114Cb 0.31 -1.25 0.05 0.00 -1.06 0.00 0.00 33.84 31.89 1p3g n VAL 1114CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1p3g n LEU 1115N -1.09 2.10 -4.82 6.55 4.77 -0.11 -4.96 117.00 119.44 1p3g n LEU 1115Ca 0.00 -0.75 -0.33 0.00 -0.03 0.00 0.00 56.01 54.90 1p3g n LEU 1115Cb 0.08 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1p3g n LEU 1115CO 0.00 0.38 0.65 -0.76 -1.33 0.00 0.00 177.39 176.33 1p3g s LEU 1116N -2.40 3.91 0.25 2.23 1.43 0.93 -4.99 118.68 120.04 1p3g s LEU 1116Ca 0.21 1.68 -0.31 0.00 -1.03 0.00 0.00 54.13 54.67 1p3g s LEU 1116Cb 0.18 -4.53 -0.13 0.00 0.03 0.00 0.00 46.19 41.74 1p3g s LEU 1116CO 0.53 -0.38 1.49 -0.81 0.23 0.00 0.00 176.35 177.40 1p3g n PRO 1117N -0.74 2.26 -2.01 1.29 -0.04 -1.26 -4.85 135.00 129.66 1p3g n PRO 1117Ca 0.07 0.81 -0.33 0.00 -0.04 0.00 0.00 63.50 64.00 1p3g n PRO 1117Cb 0.54 -2.52 -0.04 0.00 -0.04 0.00 0.00 33.50 31.45 1p3g n PRO 1117CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1p3g s LYS 1118N -0.29 2.55 0.00 0.54 1.02 -1.26 -5.18 119.74 117.12 1p3g s LYS 1118Ca 0.68 0.30 0.17 0.00 0.02 0.00 0.00 55.97 57.13 1p3g s LYS 1118Cb -0.60 -4.66 0.99 0.00 -0.52 0.00 0.00 37.83 33.03 1p3g s LYS 1118CO 0.48 -3.05 1.40 1.63 -0.92 0.00 0.00 175.35 174.88