#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kta h LYS 1009N 0.00 0.00 -0.60 3.49 2.10 -2.05 -1.66 116.57 117.86 3kta h LYS 1009Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 3kta h LYS 1009Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 3kta h LYS 1009CO 0.00 0.11 0.04 -0.22 -2.00 0.00 0.00 179.45 177.38 3kta h LYS 1010N 0.00 1.03 -0.63 0.07 3.64 -2.03 -0.33 116.57 118.33 3kta h LYS 1010Ca -0.00 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.00 3kta h LYS 1010Cb 0.24 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3kta h LYS 1010CO 0.01 0.99 0.11 -0.91 -2.27 0.00 0.00 179.45 177.39 3kta h ASN 1011N 0.93 0.98 -0.64 4.20 2.35 -1.80 -2.99 115.58 118.60 3kta h ASN 1011Ca 0.17 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 3kta h ASN 1011Cb 0.50 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3kta h ASN 1011CO 0.02 0.99 0.10 0.58 -1.65 0.00 0.00 177.43 177.47 3kta h VAL 1012N 0.94 1.26 0.00 2.81 2.07 -1.21 -2.47 116.25 119.65 3kta h VAL 1012Ca 0.19 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3kta h VAL 1012Cb 0.42 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3kta h VAL 1012CO 0.01 0.38 0.00 0.33 0.02 0.00 0.00 177.57 178.31 3kta n PHE 1013N -4.25 0.00 0.00 1.57 7.35 -0.15 -2.35 117.46 119.63 3kta n PHE 1013Ca 0.04 -0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 3kta n PHE 1013Cb 0.29 -0.10 0.00 0.00 0.35 0.00 0.00 39.48 40.02 3kta n PHE 1013CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3kta n ARG 1015N 0.72 0.00 -0.09 -4.13 0.63 -0.93 0.25 116.66 113.12 3kta n ARG 1015Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 3kta n ARG 1015Cb 0.10 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.99 3kta n ARG 1015CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3kta h THR 1016N 0.00 1.12 -0.29 5.15 2.02 -1.75 -2.38 112.91 116.78 3kta h THR 1016Ca 0.00 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.87 3kta h THR 1016Cb 0.00 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3kta h THR 1016CO 0.00 0.12 0.19 0.15 0.37 0.00 0.00 175.52 176.35 3kta h PHE 1017N 0.38 0.35 -0.59 3.16 3.57 -0.47 -1.80 116.94 121.55 3kta h PHE 1017Ca 0.11 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3kta h PHE 1017Cb 0.05 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3kta h PHE 1017CO -0.03 0.22 0.23 0.93 -2.23 0.00 0.00 178.31 177.42 3kta h GLU 1018N 0.38 0.86 -0.11 1.11 4.39 -1.78 0.13 114.58 119.56 3kta h GLU 1018Ca 0.11 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3kta h GLU 1018Cb -0.03 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 3kta h GLU 1018CO -0.04 0.70 0.02 0.00 -1.16 0.00 0.00 179.01 178.54 3kta h ALA 1019N 1.41 0.15 -0.52 3.43 0.00 -1.23 -1.40 119.26 121.11 3kta h ALA 1019Ca 0.20 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3kta h ALA 1019Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kta h ALA 1019CO -0.02 -0.21 -0.07 0.82 0.00 0.00 0.00 179.25 179.77 3kta h ILE 1020N -0.03 1.27 -0.41 0.00 2.04 -1.06 -1.27 117.51 118.05 3kta h ILE 1020Ca 0.03 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.70 3kta h ILE 1020Cb 0.27 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3kta h ILE 1020CO 0.00 0.42 0.26 -1.28 0.00 0.00 0.00 178.15 177.55 3kta h SER 1021N 0.84 0.43 -0.21 1.72 0.87 -0.72 0.19 113.55 116.67 3kta h SER 1021Ca 0.14 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3kta h SER 1021Cb 0.62 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3kta h SER 1021CO 0.04 0.31 0.09 -0.09 -0.53 0.00 0.00 176.83 176.65 3kta h ARG 1022N 0.52 0.32 -0.55 2.24 2.43 -1.12 -2.21 114.38 116.00 3kta h ARG 1022Ca 0.16 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3kta h ARG 1022Cb -0.03 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 3kta h ARG 1022CO -0.06 0.36 0.27 -0.91 -1.51 0.00 0.00 179.97 178.12 3kta h ASN 1023N 0.20 0.38 -0.22 -3.80 2.35 -1.00 -1.88 115.58 111.61 3kta h ASN 1023Ca 0.07 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3kta h ASN 1023Cb 0.15 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3kta h ASN 1023CO -0.01 0.25 0.05 0.15 -1.65 0.00 0.00 177.43 176.22 3kta h PHE 1024N 0.52 0.08 -0.56 1.19 3.57 -0.43 0.19 116.94 121.50 3kta h PHE 1024Ca 0.25 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3kta h PHE 1024Cb 0.18 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3kta h PHE 1024CO -0.11 0.03 0.27 0.77 -2.23 0.00 0.00 178.31 177.04 3kta h SER 1025N 0.14 0.74 -0.31 0.41 0.02 -1.23 -0.06 113.55 113.25 3kta h SER 1025Ca 0.10 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 3kta h SER 1025Cb 0.09 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3kta h SER 1025CO -0.13 0.67 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.83 3kta h GLU 1026N 0.76 0.60 -0.58 3.45 5.08 -0.97 -1.95 114.58 120.98 3kta h GLU 1026Ca 0.19 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3kta h GLU 1026Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3kta h GLU 1026CO -0.02 0.78 0.04 0.82 -1.00 0.00 0.00 179.01 179.63 3kta h ILE 1027N 0.38 1.26 -0.52 3.13 2.04 -0.54 -2.63 117.51 120.62 3kta h ILE 1027Ca 0.08 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 3kta h ILE 1027Cb 0.56 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3kta h ILE 1027CO 0.03 0.39 0.24 0.15 0.00 0.00 0.00 178.15 178.97 3kta h PHE 1028N 0.90 0.76 -0.61 1.37 3.57 -0.92 -0.47 116.94 121.54 3kta h PHE 1028Ca 0.17 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3kta h PHE 1028Cb 0.50 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3kta h PHE 1028CO 0.04 0.60 0.41 0.00 -2.23 0.00 0.00 178.31 177.13 3kta h ALA 1029N 1.08 1.83 -0.13 2.41 0.00 -1.26 0.38 119.26 123.58 3kta h ALA 1029Ca 0.18 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3kta h ALA 1029Cb 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kta h ALA 1029CO -0.02 0.06 -0.66 -0.22 0.00 0.00 0.00 179.25 178.41 3kta h LYS 1030N 0.57 0.68 -0.03 0.00 3.64 -1.02 -3.29 116.57 117.12 3kta h LYS 1030Ca 0.27 -0.56 -0.14 0.00 -1.27 0.00 0.00 60.65 58.95 3kta h LYS 1030Cb 0.31 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3kta h LYS 1030CO -0.08 1.17 -0.61 -0.07 -2.27 0.00 0.00 179.45 177.60 3kta h LEU 1031N 0.36 0.14 -6.88 5.20 3.38 -0.60 -3.39 115.31 113.51 3kta h LEU 1031Ca -0.05 -0.08 -0.61 0.00 0.09 0.00 0.00 57.88 57.23 3kta h LEU 1031Cb 1.30 -0.04 -0.41 0.00 0.09 0.00 0.00 40.66 41.61 3kta h LEU 1031CO 0.14 0.71 -0.71 -0.55 0.09 0.00 0.00 178.44 178.11 3kta s SER 1032N -6.88 3.67 0.13 -0.43 0.15 0.08 -4.97 113.70 105.46 3kta s SER 1032Ca -0.03 -3.43 -0.35 0.00 0.70 0.00 0.00 55.95 52.84 3kta s SER 1032Cb 0.12 -1.21 -0.16 0.00 -1.71 0.00 0.00 66.02 63.06 3kta s SER 1032CO 0.78 -0.14 1.38 -2.65 1.20 0.00 0.00 173.24 173.81 3kta n PRO 1033N 2.48 1.46 -0.98 5.44 -0.02 -1.24 -0.45 135.00 141.69 3kta n PRO 1033Ca 0.21 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3kta n PRO 1033Cb 0.38 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3kta n PRO 1033CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kta n GLY 1034N 2.64 0.97 4.02 -1.23 0.00 -1.26 -4.46 105.19 105.87 3kta n GLY 1034Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 3kta n GLY 1034CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kta s GLY 1035N -1.98 1.83 0.10 -0.02 0.00 0.41 -4.09 107.32 103.56 3kta s GLY 1035Ca 0.00 -1.98 -0.19 0.00 0.00 0.00 0.00 44.72 42.55 3kta s GLY 1035CO 0.00 -1.65 0.46 -1.35 0.00 0.00 0.00 173.10 170.56 3kta s SER 1036N -4.55 -0.33 0.14 1.64 1.04 -0.70 -4.53 113.70 106.40 3kta s SER 1036Ca 0.58 -0.11 -0.19 0.00 0.48 0.00 0.00 55.95 56.71 3kta s SER 1036Cb -0.07 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.59 3kta s SER 1036CO 0.36 -0.81 0.49 0.00 0.98 0.00 0.00 173.24 174.27 3kta s ALA 1037N -3.27 -1.23 -0.00 5.32 0.00 -1.26 0.29 121.76 121.61 3kta s ALA 1037Ca -0.01 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 3kta s ALA 1037Cb 0.00 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.92 3kta s ALA 1037CO -0.08 -0.71 0.17 1.03 0.00 0.00 0.00 175.76 176.17 3kta s ARG 1038N -3.78 0.51 -0.05 0.00 0.52 0.62 -4.24 118.95 112.53 3kta s ARG 1038Ca 0.02 -0.35 -0.09 0.00 -0.52 0.00 0.00 55.73 54.79 3kta s ARG 1038Cb 0.00 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.64 3kta s ARG 1038CO -0.12 -0.12 0.26 -0.51 0.02 0.00 0.00 175.30 174.83 3kta s LEU 1039N -1.34 4.41 -0.07 2.53 1.43 -1.26 -1.02 118.68 123.37 3kta s LEU 1039Ca -0.14 0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 3kta s LEU 1039Cb -0.07 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.78 3kta s LEU 1039CO 0.02 0.34 -0.01 -0.63 0.23 0.00 0.00 176.35 176.30 3kta s ILE 1040N -1.12 0.42 0.11 -0.59 1.01 0.10 -4.97 121.20 116.16 3kta s ILE 1040Ca 0.21 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 3kta s ILE 1040Cb -0.14 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.73 3kta s ILE 1040CO 0.10 0.25 1.11 -0.76 0.00 0.00 0.00 174.94 175.64 3kta s LEU 1041N 1.71 4.43 0.36 2.97 1.43 -1.26 -0.24 118.68 128.09 3kta s LEU 1041Ca 0.01 1.99 0.15 0.00 -1.03 0.00 0.00 54.13 55.25 3kta s LEU 1041Cb -0.13 -3.59 0.69 0.00 0.03 0.00 0.00 46.19 43.19 3kta s LEU 1041CO -0.04 -0.30 1.78 -0.33 0.23 0.00 0.00 176.35 177.69 3kta h GLU 1042N 5.92 0.00 -2.67 1.70 5.08 -1.60 -3.37 114.58 119.65 3kta h GLU 1042Ca -0.43 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.33 3kta h GLU 1042Cb 1.21 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.07 3kta h GLU 1042CO 0.76 0.41 -0.83 -0.80 -1.00 0.00 0.00 179.01 177.55 3kta s ASN 1043N -6.75 2.79 0.34 1.42 0.01 -1.26 -4.95 114.94 106.54 3kta s ASN 1043Ca -0.02 -3.00 0.04 0.00 -0.71 0.00 0.00 52.86 49.17 3kta s ASN 1043Cb 0.13 -0.79 0.66 0.00 0.41 0.00 0.00 41.25 41.66 3kta s ASN 1043CO 0.71 -0.19 1.96 -0.65 -1.51 0.00 0.00 177.10 177.42 3kta h PRO 1044N 6.03 0.83 -0.09 -0.60 0.11 -1.94 0.18 132.00 136.52 3kta h PRO 1044Ca 0.15 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 3kta h PRO 1044Cb 0.89 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3kta h PRO 1044CO 0.45 0.55 -0.15 0.93 -0.21 0.00 0.00 178.00 179.56 3kta h GLU 1045N 0.86 0.26 -2.85 1.05 5.08 -1.96 -3.37 114.58 113.65 3kta h GLU 1045Ca 0.32 -0.16 -0.61 0.00 -1.00 0.00 0.00 59.36 57.90 3kta h GLU 1045Cb 0.16 0.02 -0.41 0.00 0.50 0.00 0.00 28.75 29.02 3kta h GLU 1045CO -0.10 0.74 -0.67 -3.47 -1.00 0.00 0.00 179.01 174.51 3kta n ASP 1046N -4.59 2.23 -0.32 1.42 2.03 -1.01 -4.98 116.55 111.32 3kta n ASP 1046Ca -0.07 -3.03 0.19 0.00 0.52 0.00 0.00 54.79 52.39 3kta n ASP 1046Cb 0.38 -0.70 0.45 0.00 -0.72 0.00 0.00 41.12 40.52 3kta n ASP 1046CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kta h PRO 1047N 5.34 0.50 0.00 -0.67 0.11 -0.82 -0.41 132.00 136.05 3kta h PRO 1047Ca 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3kta h PRO 1047Cb 0.78 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3kta h PRO 1047CO 0.64 0.33 0.00 1.19 -0.21 0.00 0.00 178.00 179.96 3kta n PHE 1048N -4.66 0.10 0.72 0.65 3.72 -1.26 -2.14 117.46 114.59 3kta n PHE 1048Ca 0.23 0.04 0.10 0.00 -0.05 0.00 0.00 57.45 57.77 3kta n PHE 1048Cb 0.74 -0.56 0.28 0.00 -0.94 0.00 0.00 39.48 39.00 3kta n PHE 1048CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3kta n SER 1049N -1.59 2.47 -2.53 4.37 7.64 -0.16 -4.96 113.62 118.87 3kta n SER 1049Ca 0.04 -1.89 -0.11 0.00 1.01 0.00 0.00 58.87 57.93 3kta n SER 1049Cb 0.23 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 3kta n SER 1049CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kta n GLY 1050N 1.28 2.31 0.00 0.23 0.00 -0.91 -4.95 105.19 103.15 3kta n GLY 1050Ca 0.17 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3kta n GLY 1050CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kta n GLY 1051N -0.44 2.15 2.88 -0.02 0.00 -1.26 -4.87 105.19 103.62 3kta n GLY 1051Ca 0.00 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 43.65 3kta n GLY 1051CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kta s LEU 1052N 0.00 1.08 0.15 0.99 0.20 -1.26 -1.48 118.68 118.36 3kta s LEU 1052Ca 0.00 -0.22 0.05 0.00 0.69 0.00 0.00 54.13 54.65 3kta s LEU 1052Cb 0.00 -0.69 -0.04 0.00 -0.43 0.00 0.00 46.19 45.03 3kta s LEU 1052CO 0.00 -0.12 0.08 -1.61 -0.29 0.00 0.00 176.35 174.42 3kta s GLU 1053N 1.59 2.75 -0.16 1.98 2.02 0.67 -4.92 118.70 122.63 3kta s GLU 1053Ca 0.01 -0.91 -0.03 0.00 0.02 0.00 0.00 54.97 54.07 3kta s GLU 1053Cb -0.13 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 3kta s GLU 1053CO -0.05 0.49 -0.06 0.42 0.02 0.00 0.00 175.26 176.08 3kta s ILE 1054N -1.67 3.65 -0.16 -1.63 1.01 -1.26 -0.72 121.20 120.42 3kta s ILE 1054Ca 0.29 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.52 3kta s ILE 1054Cb -0.10 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3kta s ILE 1054CO 0.22 0.49 -0.18 -0.70 0.00 0.00 0.00 174.94 174.77 3kta s GLU 1055N 0.51 3.12 -0.03 2.79 2.12 -0.19 -4.89 118.70 122.13 3kta s GLU 1055Ca -0.04 -0.80 0.04 0.00 0.36 0.00 0.00 54.97 54.53 3kta s GLU 1055Cb -0.15 -2.57 -0.00 0.00 0.26 0.00 0.00 34.13 31.68 3kta s GLU 1055CO 0.03 -0.04 -0.14 0.00 -0.54 0.00 0.00 175.26 174.57 3kta s ALA 1056N 0.92 1.27 -0.62 6.30 0.00 -1.26 -0.28 121.76 128.09 3kta s ALA 1056Ca -0.04 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.41 3kta s ALA 1056Cb -0.15 -0.42 0.16 0.00 0.00 0.00 0.00 23.12 22.71 3kta s ALA 1056CO -0.03 0.23 0.43 0.15 0.00 0.00 0.00 175.76 176.54 3kta s LYS 1057N 0.05 2.09 0.51 0.00 1.02 0.15 -4.99 119.74 118.56 3kta s LYS 1057Ca -0.02 -2.99 -0.22 0.00 0.02 0.00 0.00 55.97 52.76 3kta s LYS 1057Cb -0.10 -3.03 -0.07 0.00 -0.52 0.00 0.00 37.83 34.11 3kta s LYS 1057CO 0.01 -1.27 1.07 -2.30 -0.92 0.00 0.00 175.35 171.94 3kta n PRO 1058N 2.33 1.30 0.00 -1.68 -0.02 -1.26 -1.73 135.00 133.94 3kta n PRO 1058Ca 0.19 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3kta n PRO 1058Cb 0.37 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3kta n PRO 1058CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kta n ALA 1059N -1.03 0.78 0.00 3.55 0.00 -1.26 -4.84 120.51 117.71 3kta n ALA 1059Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3kta n ALA 1059Cb 0.43 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3kta n ALA 1059CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kta n LYS 1064N 2.46 0.00 -3.88 0.00 4.76 -1.26 -4.97 118.16 115.27 3kta n LYS 1064Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 3kta n LYS 1064Cb 0.00 -0.19 -0.13 0.00 -1.84 0.00 0.00 35.03 32.87 3kta n LYS 1064CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3kta s ARG 1065N -1.95 0.10 0.48 1.97 0.52 -1.26 -5.03 118.95 113.78 3kta s ARG 1065Ca 0.00 -0.10 0.19 0.00 -0.52 0.00 0.00 55.73 55.30 3kta s ARG 1065Cb 0.00 0.04 1.18 0.00 0.52 0.00 0.00 34.95 36.70 3kta s ARG 1065CO 0.00 -0.02 2.03 -0.84 0.02 0.00 0.00 175.30 176.49 3kta h ILE 1066N 4.99 0.92 0.00 1.52 3.07 -1.94 -1.28 117.51 124.79 3kta h ILE 1066Ca -0.26 -0.57 -0.01 0.00 1.55 0.00 0.00 64.86 65.56 3kta h ILE 1066Cb 1.21 1.33 -0.00 0.00 -0.27 0.00 0.00 36.82 39.08 3kta h ILE 1066CO 0.47 0.15 -0.07 -0.33 -1.05 0.00 0.00 178.15 177.33 3kta h GLU 1067N 0.00 0.00 -3.01 0.16 4.39 -2.00 -3.47 114.58 110.65 3kta h GLU 1067Ca -0.00 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.98 3kta h GLU 1067Cb 0.31 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 3kta h GLU 1067CO 0.02 0.07 2.98 0.00 -1.16 0.00 0.00 179.01 180.91 3kta n ALA 1068N -2.40 6.78 -2.37 3.43 0.00 -0.49 -5.04 120.51 120.42 3kta n ALA 1068Ca -0.03 -3.89 -0.22 0.00 0.00 0.00 0.00 53.44 49.31 3kta n ALA 1068Cb 0.16 -3.10 0.01 0.00 0.00 0.00 0.00 19.45 16.51 3kta n ALA 1068CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kta s SER 1070N 1.38 5.87 0.27 0.00 1.04 -1.26 -5.01 113.70 115.99 3kta s SER 1070Ca 0.57 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 57.09 3kta s SER 1070Cb 0.17 -1.44 0.32 0.00 0.10 0.00 0.00 66.02 65.17 3kta s SER 1070CO -0.07 -0.62 1.93 1.23 0.98 0.00 0.00 173.24 176.69 3kta h GLY 1071N 0.55 1.29 0.86 7.32 0.00 -1.96 0.03 103.07 111.17 3kta h GLY 1071Ca -0.46 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.31 3kta h GLY 1071CO 0.56 0.50 -0.04 -1.33 0.00 0.00 0.00 176.54 176.23 3kta h GLY 1072N 1.24 0.54 1.12 4.60 0.00 -1.99 -1.72 103.07 106.86 3kta h GLY 1072Ca 0.33 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kta h GLY 1072CO -0.07 0.39 0.56 0.83 0.00 0.00 0.00 176.54 178.26 3kta h GLU 1073N 0.26 1.18 -0.56 4.80 5.08 -1.79 -0.49 114.58 123.06 3kta h GLU 1073Ca 0.07 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3kta h GLU 1073Cb 0.49 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3kta h GLU 1073CO 0.02 0.80 -0.08 0.87 -1.00 0.00 0.00 179.01 179.62 3kta h LYS 1074N 1.21 1.04 -0.24 2.33 1.57 -0.85 -1.15 116.57 120.49 3kta h LYS 1074Ca 0.32 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kta h LYS 1074Cb -0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3kta h LYS 1074CO -0.07 1.06 0.14 0.00 -0.57 0.00 0.00 179.45 180.01 3kta h ALA 1075N 0.97 0.30 -0.64 3.86 0.00 -0.73 -0.81 119.26 122.21 3kta h ALA 1075Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3kta h ALA 1075Cb 0.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3kta h ALA 1075CO 0.04 -0.20 0.19 -0.07 0.00 0.00 0.00 179.25 179.22 3kta h LEU 1076N 0.29 0.92 -0.21 0.00 3.38 -0.99 0.09 115.31 118.80 3kta h LEU 1076Ca 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kta h LEU 1076Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kta h LEU 1076CO -0.02 0.87 0.07 0.74 0.09 0.00 0.00 178.44 180.20 3kta h THR 1077N 0.95 1.18 -0.63 0.22 2.02 -0.96 0.42 112.91 116.11 3kta h THR 1077Ca 0.21 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 3kta h THR 1077Cb 0.29 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3kta h THR 1077CO -0.01 0.18 0.15 0.00 0.37 0.00 0.00 175.52 176.21 3kta h ALA 1078N 0.90 0.83 -0.50 6.16 0.00 -0.95 -2.26 119.26 123.44 3kta h ALA 1078Ca 0.07 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3kta h ALA 1078Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kta h ALA 1078CO -0.00 0.55 -0.14 -0.07 0.00 0.00 0.00 179.25 179.59 3kta h LEU 1079N 0.93 0.97 -1.13 0.00 3.38 -0.86 -1.06 115.31 117.54 3kta h LEU 1079Ca 0.20 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3kta h LEU 1079Cb 0.37 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3kta h LEU 1079CO 0.00 1.10 0.59 0.00 0.09 0.00 0.00 178.44 180.23 3kta h ALA 1080N 0.98 1.48 -0.09 1.53 0.00 -0.71 0.52 119.26 122.97 3kta h ALA 1080Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kta h ALA 1080Cb 0.69 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kta h ALA 1080CO 0.05 0.40 0.02 0.35 0.00 0.00 0.00 179.25 180.07 3kta h PHE 1081N 1.07 0.17 -0.45 0.00 3.57 -0.98 0.07 116.94 120.38 3kta h PHE 1081Ca 0.38 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.91 3kta h PHE 1081Cb 0.14 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 3kta h PHE 1081CO -0.00 0.35 0.17 0.28 -2.23 0.00 0.00 178.31 176.88 3kta h VAL 1082N -0.07 0.87 0.00 1.41 2.07 -0.74 -2.43 116.25 117.36 3kta h VAL 1082Ca 0.03 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3kta h VAL 1082Cb 0.28 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kta h VAL 1082CO 0.00 0.06 -0.35 -0.26 0.02 0.00 0.00 177.57 177.04 3kta h PHE 1083N 0.35 0.00 -0.59 1.57 -1.00 -0.85 -1.42 116.94 114.99 3kta h PHE 1083Ca 0.21 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 3kta h PHE 1083Cb 0.19 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 3kta h PHE 1083CO -0.15 0.35 0.27 0.00 -1.61 0.00 0.00 178.31 177.18 3kta h ALA 1084N 1.65 0.77 -0.31 2.45 0.00 -0.56 -0.55 119.26 122.71 3kta h ALA 1084Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3kta h ALA 1084Cb 0.98 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kta h ALA 1084CO 0.05 0.34 -0.14 0.82 0.00 0.00 0.00 179.25 180.32 3kta h ILE 1085N 0.81 1.29 -0.79 0.00 2.04 -1.19 -3.02 117.51 116.65 3kta h ILE 1085Ca 0.20 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.88 3kta h ILE 1085Cb 0.14 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 3kta h ILE 1085CO -0.02 0.39 0.50 -0.61 0.00 0.00 0.00 178.15 178.41 3kta h GLN 1086N 0.39 0.92 -0.87 2.37 -0.00 -1.01 0.10 115.11 117.01 3kta h GLN 1086Ca 0.07 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 3kta h GLN 1086Cb 0.65 -0.21 -0.04 0.00 0.00 0.00 0.00 27.48 27.89 3kta h GLN 1086CO 0.04 0.61 0.49 -0.22 0.00 0.00 0.00 178.83 179.75 3kta h LYS 1087N 0.94 1.21 0.03 1.69 3.64 -1.11 -1.43 116.57 121.54 3kta h LYS 1087Ca 0.33 -0.13 -0.27 0.00 -1.27 0.00 0.00 60.65 59.30 3kta h LYS 1087Cb 0.07 -0.24 0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3kta h LYS 1087CO -0.14 0.88 -1.09 0.35 -2.27 0.00 0.00 179.45 177.18 3kta h PHE 1088N 1.22 1.01 -1.85 1.91 3.57 -1.18 -3.42 116.94 118.20 3kta h PHE 1088Ca 0.31 -0.57 -0.40 0.00 3.53 0.00 0.00 57.97 60.84 3kta h PHE 1088Cb 0.01 -0.11 -0.30 0.00 2.79 0.00 0.00 35.95 38.35 3kta h PHE 1088CO 0.01 1.41 -0.75 0.21 -2.23 0.00 0.00 178.31 176.96 3kta s LYS 1089N -3.23 0.87 0.12 1.11 2.20 0.27 -5.12 119.74 115.95 3kta s LYS 1089Ca -0.09 -1.42 -0.33 0.00 -0.36 0.00 0.00 55.97 53.76 3kta s LYS 1089Cb 0.07 -0.81 -0.13 0.00 -1.51 0.00 0.00 37.83 35.45 3kta s LYS 1089CO 0.92 -1.31 1.71 -2.30 -0.36 0.00 0.00 175.35 174.01 3kta n PRO 1090N 3.32 2.39 -1.85 4.03 -0.02 -0.55 -4.57 135.00 137.76 3kta n PRO 1090Ca 0.21 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 62.25 3kta n PRO 1090Cb 0.49 -2.69 0.04 0.00 -0.02 0.00 0.00 33.50 31.33 3kta n PRO 1090CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kta s ALA 1091N 1.86 2.89 0.20 3.55 0.00 -1.26 -4.99 121.76 124.01 3kta s ALA 1091Ca 0.81 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 3kta s ALA 1091Cb -0.61 -3.05 0.13 0.00 0.00 0.00 0.00 23.12 19.58 3kta s ALA 1091CO 0.39 -1.07 1.86 -1.35 0.00 0.00 0.00 175.76 175.59 3kta h PRO 1092N -0.60 0.91 -3.72 0.00 0.11 -1.94 -3.41 132.00 123.34 3kta h PRO 1092Ca -0.45 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3kta h PRO 1092Cb 1.24 -0.20 -0.15 0.00 0.11 0.00 0.00 31.00 32.00 3kta h PRO 1092CO 0.63 0.61 -0.36 -0.59 -0.21 0.00 0.00 178.00 178.08 3kta s PHE 1093N -6.09 0.11 -0.07 0.65 -0.71 -1.26 -1.88 117.98 108.73 3kta s PHE 1093Ca -0.13 -0.48 0.04 0.00 -1.04 0.00 0.00 56.93 55.32 3kta s PHE 1093Cb 0.14 -0.04 -0.00 0.00 -1.21 0.00 0.00 43.02 41.91 3kta s PHE 1093CO 0.77 -0.52 -0.20 0.71 -1.34 0.00 0.00 175.22 174.64 3kta s TYR 1094N -3.54 2.04 -0.23 3.49 1.51 0.75 -4.92 117.35 116.45 3kta s TYR 1094Ca 0.02 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 3kta s TYR 1094Cb 0.03 -1.38 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 3kta s TYR 1094CO -0.09 -0.27 -0.11 -1.17 -1.11 0.00 0.00 175.55 172.80 3kta s LEU 1095N 0.21 3.00 -0.15 -1.29 2.96 -1.26 -0.44 118.68 121.71 3kta s LEU 1095Ca -0.10 -0.97 0.02 0.00 -0.22 0.00 0.00 54.13 52.85 3kta s LEU 1095Cb -0.15 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.97 3kta s LEU 1095CO 0.05 -0.11 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.40 3kta s PHE 1096N 1.25 2.70 -0.38 5.38 2.99 -0.21 -5.00 117.98 124.71 3kta s PHE 1096Ca -0.01 -1.36 -0.03 0.00 0.00 0.00 0.00 56.93 55.53 3kta s PHE 1096Cb -0.17 -1.84 0.09 0.00 0.00 0.00 0.00 43.02 41.10 3kta s PHE 1096CO -0.07 -0.63 0.15 0.34 -0.00 0.00 0.00 175.22 175.01 3kta s ASP 1097N 0.90 5.18 -1.30 1.36 -1.08 -1.26 -0.52 116.67 119.95 3kta s ASP 1097Ca -0.05 -1.82 -0.01 0.00 -0.52 0.00 0.00 52.55 50.16 3kta s ASP 1097Cb -0.15 -1.80 0.00 0.00 -1.46 0.00 0.00 42.92 39.51 3kta s ASP 1097CO -0.04 -0.47 0.79 -0.62 0.52 0.00 0.00 175.17 175.35 3kta n GLU 1098N 4.61 -5.36 0.00 4.34 1.02 0.03 -4.86 120.64 120.42 3kta n GLU 1098Ca -0.05 0.67 0.14 0.00 -0.02 0.00 0.00 57.16 57.90 3kta n GLU 1098Cb 0.42 -5.35 0.75 0.00 -0.02 0.00 0.00 31.44 27.24 3kta n GLU 1098CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3kta n ILE 1099N -4.28 0.07 -0.10 -3.67 -5.35 -1.26 -2.87 119.36 101.90 3kta n ILE 1099Ca -0.27 0.02 0.10 0.00 -0.27 0.00 0.00 62.75 62.32 3kta n ILE 1099Cb 0.67 -0.56 0.24 0.00 -1.74 0.00 0.00 39.64 38.24 3kta n ILE 1099CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3kta n ASP 1100N -1.18 3.50 -0.14 7.28 5.68 -1.26 -4.64 116.55 125.79 3kta n ASP 1100Ca 0.16 -1.97 0.10 0.00 -0.50 0.00 0.00 54.79 52.58 3kta n ASP 1100Cb 0.18 -0.34 0.43 0.00 -1.14 0.00 0.00 41.12 40.25 3kta n ASP 1100CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kta h ALA 1101N 3.75 1.89 -0.49 2.12 0.00 -1.92 -1.57 119.26 123.05 3kta h ALA 1101Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kta h ALA 1101Cb 0.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kta h ALA 1101CO 0.00 -0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.95 3kta n HIS 1102N -4.48 1.49 -4.67 0.00 8.25 -1.26 -4.98 115.22 109.57 3kta n HIS 1102Ca 0.11 -0.73 -0.33 0.00 -0.26 0.00 0.00 57.72 56.51 3kta n HIS 1102Cb 0.33 -0.35 -0.12 0.00 1.12 0.00 0.00 29.99 30.96 3kta n HIS 1102CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kta s LEU 1103N -2.43 3.00 0.88 2.41 1.43 -0.59 -3.65 118.68 119.74 3kta s LEU 1103Ca 0.48 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 3kta s LEU 1103Cb 0.35 -1.66 0.12 0.00 0.03 0.00 0.00 46.19 45.03 3kta s LEU 1103CO 0.16 0.29 1.16 1.51 0.23 0.00 0.00 176.35 179.70 3kta s ASP 1104N -0.36 3.80 0.27 2.29 1.47 -1.26 -4.74 116.67 118.13 3kta s ASP 1104Ca 0.05 0.86 -0.02 0.00 1.18 0.00 0.00 52.55 54.61 3kta s ASP 1104Cb -0.12 -1.37 0.42 0.00 -0.34 0.00 0.00 42.92 41.50 3kta s ASP 1104CO 0.02 -2.36 1.88 0.44 0.68 0.00 0.00 175.17 175.83 3kta h ASP 1105N -1.37 1.02 -0.87 2.11 3.32 -1.98 0.22 116.42 118.87 3kta h ASP 1105Ca -0.49 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 3kta h ASP 1105Cb 1.33 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 3kta h ASP 1105CO 0.62 0.64 0.47 0.00 -1.72 0.00 0.00 179.24 179.24 3kta h ALA 1106N 1.46 1.11 -0.27 3.45 0.00 -2.00 -0.38 119.26 122.63 3kta h ALA 1106Ca 0.44 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 3kta h ALA 1106Cb 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kta h ALA 1106CO -0.18 0.63 -0.53 -0.91 0.00 0.00 0.00 179.25 178.25 3kta h ASN 1107N 1.22 0.94 -0.88 0.00 2.35 -1.72 -2.88 115.58 114.62 3kta h ASN 1107Ca 0.30 -0.54 0.06 0.00 -0.55 0.00 0.00 56.30 55.58 3kta h ASN 1107Cb 0.04 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.08 3kta h ASN 1107CO -0.05 1.31 0.55 0.58 -1.65 0.00 0.00 177.43 178.17 3kta h VAL 1108N 0.62 1.06 -0.62 2.81 2.07 -0.71 -1.94 116.25 119.54 3kta h VAL 1108Ca 0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3kta h VAL 1108Cb 1.14 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3kta h VAL 1108CO 0.12 0.18 0.39 0.50 0.02 0.00 0.00 177.57 178.78 3kta h LYS 1109N 1.01 0.83 -0.76 1.57 3.64 -0.94 0.16 116.57 122.08 3kta h LYS 1109Ca 0.38 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3kta h LYS 1109Cb 0.15 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3kta h LYS 1109CO -0.17 0.58 0.34 0.00 -2.27 0.00 0.00 179.45 177.93 3kta h ARG 1110N 0.84 1.09 -0.29 1.90 3.08 -1.25 -0.20 114.38 119.56 3kta h ARG 1110Ca 0.22 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 3kta h ARG 1110Cb -0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3kta h ARG 1110CO -0.05 0.86 -0.21 0.28 -1.07 0.00 0.00 179.97 179.79 3kta h VAL 1111N 1.08 1.30 -0.77 2.04 2.07 -0.87 -2.46 116.25 118.64 3kta h VAL 1111Ca 0.26 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 3kta h VAL 1111Cb 0.14 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3kta h VAL 1111CO -0.03 0.43 0.34 0.00 0.02 0.00 0.00 177.57 178.33 3kta h ALA 1112N 0.73 1.14 -0.34 1.67 0.00 -0.42 -0.41 119.26 121.62 3kta h ALA 1112Ca 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3kta h ALA 1112Cb 0.75 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kta h ALA 1112CO 0.06 0.63 -0.09 -0.44 0.00 0.00 0.00 179.25 179.41 3kta h ASP 1113N 1.11 0.56 -0.32 0.00 3.32 -0.99 0.52 116.42 120.62 3kta h ASP 1113Ca 0.26 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3kta h ASP 1113Cb 0.16 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3kta h ASP 1113CO -0.03 0.69 -0.10 0.25 -1.72 0.00 0.00 179.24 178.34 3kta h LEU 1114N 0.54 0.65 -0.17 1.55 5.85 -0.86 -1.06 115.31 121.80 3kta h LEU 1114Ca 0.10 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3kta h LEU 1114Cb 0.48 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3kta h LEU 1114CO 0.03 0.87 0.06 0.40 -0.34 0.00 0.00 178.44 179.46 3kta h ILE 1115N 0.41 0.96 -0.54 4.05 2.04 -0.85 -0.50 117.51 123.09 3kta h ILE 1115Ca 0.08 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3kta h ILE 1115Cb 0.60 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3kta h ILE 1115CO 0.04 0.03 0.35 0.50 0.00 0.00 0.00 178.15 179.06 3kta h LYS 1116N 0.14 0.70 -0.54 2.37 1.63 -0.75 0.36 116.57 120.48 3kta h LYS 1116Ca 0.07 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.75 3kta h LYS 1116Cb 0.04 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 3kta h LYS 1116CO -0.07 0.46 0.02 1.49 -3.45 0.00 0.00 179.45 177.90 3kta h GLU 1117N 0.72 0.95 0.00 1.90 4.57 -1.11 -2.77 114.58 118.84 3kta h GLU 1117Ca 0.20 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3kta h GLU 1117Cb -0.07 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3kta h GLU 1117CO -0.05 0.95 0.00 0.77 -1.18 0.00 0.00 179.01 179.50 3kta h SER 1118N 0.83 0.00 0.28 1.04 0.02 -0.57 -3.00 113.55 112.14 3kta h SER 1118Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3kta h SER 1118Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3kta h SER 1118CO 0.02 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.17 3kta n SER 1119N -2.95 0.00 0.21 3.07 3.41 0.07 -1.18 113.62 116.25 3kta n SER 1119Ca 0.01 -0.11 0.07 0.00 -0.26 0.00 0.00 58.87 58.59 3kta n SER 1119Cb 0.33 -0.23 0.44 0.00 -0.26 0.00 0.00 64.21 64.49 3kta n SER 1119CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kta h LYS 1120N 0.00 0.00 0.00 4.33 1.57 -1.66 -3.35 116.57 117.46 3kta h LYS 1120Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kta h LYS 1120Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3kta h LYS 1120CO 0.00 0.30 -1.30 0.39 -0.57 0.00 0.00 179.45 178.26 3kta n GLU 1121N -3.59 0.54 -4.01 3.15 -0.58 -0.32 -5.04 120.64 110.79 3kta n GLU 1121Ca -0.01 -0.05 -0.09 0.00 -0.42 0.00 0.00 57.16 56.59 3kta n GLU 1121Cb 0.43 -1.15 -0.11 0.00 -0.57 0.00 0.00 31.44 30.04 3kta n GLU 1121CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3kta s SER 1122N -2.85 0.36 0.24 1.62 0.01 -0.82 -4.86 113.70 107.41 3kta s SER 1122Ca -0.02 -0.63 -0.29 0.00 1.31 0.00 0.00 55.95 56.32 3kta s SER 1122Cb 0.04 0.12 -0.09 0.00 0.21 0.00 0.00 66.02 66.30 3kta s SER 1122CO 0.26 -0.37 0.92 -1.58 0.41 0.00 0.00 173.24 172.89 3kta s GLN 1123N -2.08 4.78 -0.08 12.44 0.74 -0.79 -4.13 119.66 130.55 3kta s GLN 1123Ca -0.10 1.42 0.02 0.00 0.05 0.00 0.00 55.36 56.76 3kta s GLN 1123Cb -0.06 -3.21 0.01 0.00 1.10 0.00 0.00 33.01 30.85 3kta s GLN 1123CO -0.03 0.49 -0.15 -0.06 -0.55 0.00 0.00 175.29 174.99 3kta s PHE 1124N -1.24 1.76 -0.21 1.67 0.40 -1.26 -0.18 117.98 118.93 3kta s PHE 1124Ca 0.42 -0.70 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 3kta s PHE 1124Cb -0.25 -1.26 0.04 0.00 0.51 0.00 0.00 43.02 42.06 3kta s PHE 1124CO 0.30 -0.34 -0.16 0.42 0.70 0.00 0.00 175.22 176.15 3kta s ILE 1125N 0.66 2.04 -0.14 0.64 1.01 0.42 -4.96 121.20 120.86 3kta s ILE 1125Ca -0.14 -1.17 -0.00 0.00 0.00 0.00 0.00 60.65 59.34 3kta s ILE 1125Cb -0.16 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.36 3kta s ILE 1125CO 0.04 0.31 -0.10 -0.69 0.00 0.00 0.00 174.94 174.50 3kta s VAL 1126N 1.24 1.29 -0.11 2.92 1.01 -1.26 -1.05 120.40 124.45 3kta s VAL 1126Ca -0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 3kta s VAL 1126Cb -0.16 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3kta s VAL 1126CO -0.10 0.35 0.63 -0.63 0.00 0.00 0.00 175.10 175.35 3kta s ILE 1127N 1.59 5.08 0.03 2.22 1.01 0.32 -4.99 121.20 126.45 3kta s ILE 1127Ca 0.04 1.27 -0.17 0.00 0.00 0.00 0.00 60.65 61.78 3kta s ILE 1127Cb -0.13 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.41 3kta s ILE 1127CO -0.09 0.24 0.38 0.28 0.00 0.00 0.00 174.94 175.75 3kta s THR 1128N 0.96 0.06 -0.92 2.92 -1.32 -1.26 -0.79 115.64 115.29 3kta s THR 1128Ca 0.33 -0.49 0.11 0.00 -1.21 0.00 0.00 61.69 60.43 3kta s THR 1128Cb -0.17 -0.88 0.33 0.00 -1.51 0.00 0.00 72.50 70.28 3kta s THR 1128CO 0.14 -0.27 1.27 0.18 -2.21 0.00 0.00 174.62 173.74 3kta n LEU 1129N 0.71 3.02 -4.45 9.08 4.77 -1.26 -5.02 117.00 123.84 3kta n LEU 1129Ca -0.19 -2.06 -0.35 0.00 -0.03 0.00 0.00 56.01 53.38 3kta n LEU 1129Cb 0.59 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 3kta n LEU 1129CO 0.21 0.74 -0.31 -0.13 -1.33 0.00 0.00 177.39 176.56 3kta s ARG 1130N -1.10 3.64 0.24 3.23 1.81 -1.26 -4.99 118.95 120.52 3kta s ARG 1130Ca 0.25 -0.50 -0.05 0.00 -1.72 0.00 0.00 55.73 53.72 3kta s ARG 1130Cb 0.14 -3.16 0.41 0.00 -0.45 0.00 0.00 34.95 31.89 3kta s ARG 1130CO 0.16 -0.04 1.78 -0.44 -0.68 0.00 0.00 175.30 176.07 3kta h ASP 1131N 7.70 0.50 -0.19 0.23 3.32 -1.99 -3.44 116.42 122.56 3kta h ASP 1131Ca -0.37 0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.53 3kta h ASP 1131Cb 1.18 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.72 3kta h ASP 1131CO 0.61 0.26 0.68 0.52 -1.72 0.00 0.00 179.24 179.58 3kta n VAL 1132N -4.86 0.76 0.00 -1.35 0.31 -1.26 -4.89 118.33 107.05 3kta n VAL 1132Ca 0.13 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 3kta n VAL 1132Cb 0.33 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 3kta n VAL 1132CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kta n ALA 1135N 16.06 0.00 -1.13 3.52 0.00 -1.26 -4.80 120.51 132.89 3kta n ALA 1135Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3kta n ALA 1135Cb 0.46 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.17 3kta n ALA 1135CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kta n ASN 1136N 0.00 3.83 -4.77 0.00 3.02 -1.26 -5.00 115.26 111.08 3kta n ASN 1136Ca 0.00 -3.29 -0.37 0.00 -0.03 0.00 0.00 54.58 50.89 3kta n ASN 1136Cb 0.00 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 3kta n ASN 1136CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kta s ALA 1137N -3.00 2.91 0.12 5.41 0.00 -1.26 -4.95 121.76 120.99 3kta s ALA 1137Ca 0.47 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 53.41 3kta s ALA 1137Cb 0.39 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.97 3kta s ALA 1137CO 0.08 -0.85 1.29 -0.44 0.00 0.00 0.00 175.76 175.84 3kta h ASP 1138N 1.82 0.55 -4.88 0.00 3.32 -1.98 -3.46 116.42 111.79 3kta h ASP 1138Ca -0.50 -0.44 -0.21 0.00 0.02 0.00 0.00 57.03 55.90 3kta h ASP 1138Cb 1.26 -0.17 -0.21 0.00 0.22 0.00 0.00 39.33 40.43 3kta h ASP 1138CO 0.59 1.25 -0.71 -0.54 -1.72 0.00 0.00 179.24 178.11 3kta s LYS 1139N -3.24 0.39 -0.09 3.56 -0.14 -1.26 -5.15 119.74 113.81 3kta s LYS 1139Ca -0.06 -0.66 0.03 0.00 -1.36 0.00 0.00 55.97 53.92 3kta s LYS 1139Cb 0.09 -0.05 0.01 0.00 -1.68 0.00 0.00 37.83 36.20 3kta s LYS 1139CO 0.87 -0.01 -0.18 0.42 -0.76 0.00 0.00 175.35 175.69 3kta s ILE 1140N -1.41 1.62 -0.16 2.17 1.01 -1.26 -5.08 121.20 118.08 3kta s ILE 1140Ca -0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 3kta s ILE 1140Cb -0.10 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3kta s ILE 1140CO -0.00 0.46 -0.01 -0.63 0.00 0.00 0.00 174.94 174.76 3kta s ILE 1141N 0.58 4.18 -0.20 2.92 1.01 -1.26 -1.23 121.20 127.20 3kta s ILE 1141Ca -0.15 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 3kta s ILE 1141Cb -0.17 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3kta s ILE 1141CO 0.05 0.49 0.08 -0.83 0.00 0.00 0.00 174.94 174.73 3kta s GLY 1142N 0.33 1.92 -0.12 6.18 0.00 0.38 -4.91 107.32 111.10 3kta s GLY 1142Ca -0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 3kta s GLY 1142CO 0.02 0.14 -0.05 0.14 0.00 0.00 0.00 173.10 173.36 3kta s VAL 1143N 0.55 3.85 0.00 1.40 1.01 -1.26 -1.31 120.40 124.65 3kta s VAL 1143Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3kta s VAL 1143Cb -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.61 3kta s VAL 1143CO 0.01 0.54 0.00 -1.54 0.00 0.00 0.00 175.10 174.11 3kta n SER 1144N 2.95 0.00 0.00 3.32 3.41 -0.52 -4.99 113.62 117.78 3kta n SER 1144Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3kta n SER 1144Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3kta n SER 1144CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3kta n ARG 1146N 0.00 0.00 -4.01 4.33 0.63 -0.71 -0.51 116.66 116.39 3kta n ARG 1146Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 3kta n ARG 1146Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 3kta n ARG 1146CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3kta n ASP 1147N 0.00 -3.05 0.00 6.15 8.00 -1.26 -1.34 116.55 125.05 3kta n ASP 1147Ca 0.00 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3kta n ASP 1147Cb 0.00 -3.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 3kta n ASP 1147CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kta n GLY 1148N -1.64 0.86 3.27 0.44 0.00 -1.26 -5.01 105.19 101.85 3kta n GLY 1148Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3kta n GLY 1148CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kta s VAL 1149N -3.47 2.62 0.36 1.61 1.01 -0.45 -5.11 120.40 116.97 3kta s VAL 1149Ca 0.00 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.94 3kta s VAL 1149Cb 0.00 -2.09 -0.10 0.00 0.00 0.00 0.00 36.38 34.19 3kta s VAL 1149CO 0.00 0.52 0.96 -0.44 0.00 0.00 0.00 175.10 176.14 3kta s SER 1150N 0.66 7.16 0.06 3.32 0.01 -1.26 -1.73 113.70 121.91 3kta s SER 1150Ca -0.08 1.81 -0.04 0.00 1.31 0.00 0.00 55.95 58.95 3kta s SER 1150Cb -0.16 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 3kta s SER 1150CO 0.02 -0.20 0.05 -1.59 0.41 0.00 0.00 173.24 171.93 3kta s LYS 1151N -2.44 0.67 0.10 12.44 -2.85 0.33 -4.99 119.74 123.00 3kta s LYS 1151Ca 0.55 -1.07 0.09 0.00 -1.00 0.00 0.00 55.97 54.54 3kta s LYS 1151Cb -0.16 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 3kta s LYS 1151CO 0.21 -0.16 -0.23 0.14 0.10 0.00 0.00 175.35 175.40 3kta s VAL 1152N -3.69 1.94 0.05 1.79 -7.23 -1.26 -1.44 120.40 110.55 3kta s VAL 1152Ca 0.04 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3kta s VAL 1152Cb 0.06 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 3kta s VAL 1152CO -0.09 0.05 -0.03 0.68 -0.31 0.00 0.00 175.10 175.40 3kta s VAL 1153N -1.06 0.22 0.03 1.32 -7.23 -0.43 -4.98 120.40 108.28 3kta s VAL 1153Ca 0.10 -1.80 -0.24 0.00 -1.81 0.00 0.00 61.98 58.23 3kta s VAL 1153Cb -0.10 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 3kta s VAL 1153CO 0.04 -0.99 0.74 -0.55 -0.31 0.00 0.00 175.10 174.03 3kta s SER 1154N -2.90 7.17 -0.02 4.85 0.15 -1.26 -0.47 113.70 121.22 3kta s SER 1154Ca 0.07 1.40 0.04 0.00 0.70 0.00 0.00 55.95 58.16 3kta s SER 1154Cb 0.08 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 3kta s SER 1154CO -0.10 0.02 -0.13 -0.76 1.20 0.00 0.00 173.24 173.47 3kta s LEU 1155N -0.02 2.84 0.76 3.45 1.43 -0.36 -4.88 118.68 121.89 3kta s LEU 1155Ca 0.38 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 3kta s LEU 1155Cb -0.20 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.45 3kta s LEU 1155CO 0.22 0.31 1.08 -0.94 0.23 0.00 0.00 176.35 177.25 3kta s SER 1156N -1.07 4.82 0.24 2.29 1.04 -1.26 -4.26 113.70 115.51 3kta s SER 1156Ca 0.14 1.43 -0.04 0.00 0.48 0.00 0.00 55.95 57.95 3kta s SER 1156Cb -0.11 -2.21 0.45 0.00 0.10 0.00 0.00 66.02 64.25 3kta s SER 1156CO 0.03 -1.78 1.74 -0.07 0.98 0.00 0.00 173.24 174.15 3kta h LEU 1157N -0.95 0.35 -0.32 2.42 3.38 -1.98 -0.83 115.31 117.37 3kta h LEU 1157Ca -0.46 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3kta h LEU 1157Cb 1.25 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3kta h LEU 1157CO 0.58 0.15 0.17 -0.08 0.09 0.00 0.00 178.44 179.35 3kta h GLU 1158N 0.50 0.44 -0.40 1.13 4.81 -2.05 -2.82 114.58 116.19 3kta h GLU 1158Ca 0.41 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.48 3kta h GLU 1158Cb 0.59 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3kta h GLU 1158CO -0.38 0.38 -0.19 0.87 -0.73 0.00 0.00 179.01 178.96 3kta h LYS 1159N 0.39 0.78 -1.72 1.92 1.57 -1.86 -2.44 116.57 115.21 3kta h LYS 1159Ca 0.11 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3kta h LYS 1159Cb 0.07 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kta h LYS 1159CO -0.02 0.91 0.00 0.00 -0.57 0.00 0.00 179.45 179.77 3kta n ALA 1160N -2.50 1.88 0.00 3.86 0.00 -0.35 -1.47 120.51 121.93 3kta n ALA 1160Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kta n ALA 1160Cb 0.42 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kta n ALA 1160CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kta n LYS 1162N 0.96 0.00 -0.16 0.00 5.02 -0.92 -1.69 118.16 121.37 3kta n LYS 1162Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3kta n LYS 1162Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.17 3kta n LYS 1162CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3kta h ILE 1163N 0.00 1.23 -0.14 -0.18 2.04 -1.54 -2.24 117.51 116.68 3kta h ILE 1163Ca 0.00 -0.80 -0.12 0.00 1.00 0.00 0.00 64.86 64.94 3kta h ILE 1163Cb 0.00 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3kta h ILE 1163CO 0.00 0.29 -0.44 -0.07 0.00 0.00 0.00 178.15 177.92 3kta h LEU 1164N 0.62 0.35 0.90 1.44 3.38 -1.60 -1.91 115.31 118.49 3kta h LEU 1164Ca 0.15 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3kta h LEU 1164Cb 0.31 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kta h LEU 1164CO -0.00 0.75 -0.43 -0.08 0.09 0.00 0.00 178.44 178.77 3kta h GLU 1165N 0.27 -1.17 -0.88 1.13 4.81 -1.81 -2.15 114.58 114.78 3kta h GLU 1165Ca 0.02 0.08 0.23 0.00 -0.13 0.00 0.00 59.36 59.56 3kta h GLU 1165Cb 0.89 0.27 -0.13 0.00 0.63 0.00 0.00 28.75 30.40 3kta h GLU 1165CO 0.07 -0.78 0.32 0.93 -0.73 0.00 0.00 179.01 178.82 3kta h GLU 1166N -1.27 0.28 -0.82 1.92 5.08 -1.35 0.27 114.58 118.69 3kta h GLU 1166Ca -0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3kta h GLU 1166Cb 0.93 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 3kta h GLU 1166CO 0.20 0.19 0.50 0.82 -1.00 0.00 0.00 179.01 179.72 3kta h ILE 1167N 0.29 1.23 -0.01 3.13 2.04 -1.24 -1.91 117.51 121.03 3kta h ILE 1167Ca 0.56 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 3kta h ILE 1167Cb 1.11 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3kta h ILE 1167CO -0.60 0.23 -0.52 0.03 0.00 0.00 0.00 178.15 177.29 3kta h ARG 1168N 1.13 0.04 0.00 2.37 3.08 0.16 -3.51 114.38 117.64 3kta h ARG 1168Ca 0.30 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3kta h ARG 1168Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3kta h ARG 1168CO -0.06 0.55 0.00 1.63 -1.07 0.00 0.00 179.97 181.03