#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mwn n ARG 1033N 0.00 0.00 -0.30 -1.09 3.00 -1.26 -4.94 116.66 112.07 3mwn n ARG 1033Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 3mwn n ARG 1033Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 32.46 32.13 3mwn n ARG 1033CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3mwn n ALA 1034N -2.40 -0.31 -0.34 5.13 0.00 -1.26 -0.80 120.51 120.53 3mwn n ALA 1034Ca 0.00 0.67 0.32 0.00 0.00 0.00 0.00 53.44 54.43 3mwn n ALA 1034Cb 0.15 -0.20 0.57 0.00 0.00 0.00 0.00 19.45 19.97 3mwn n ALA 1034CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mwn n ALA 1035N -3.52 1.05 0.46 0.00 0.00 -1.26 0.52 120.51 117.76 3mwn n ALA 1035Ca 0.04 0.89 -0.18 0.00 0.00 0.00 0.00 53.44 54.19 3mwn n ALA 1035Cb 0.24 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 3mwn n ALA 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mwn h ALA 1036N 1.71 -1.32 -0.33 0.00 0.00 -1.36 -2.59 119.26 115.37 3mwn h ALA 1036Ca 0.79 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.35 3mwn h ALA 1036Cb 2.24 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 20.48 3mwn h ALA 1036CO -0.61 -1.23 -0.14 0.07 0.00 0.00 0.00 179.25 177.34 3mwn h ARG 1037N -1.17 0.67 0.00 0.00 0.11 -0.96 -3.32 114.38 109.71 3mwn h ARG 1037Ca -0.12 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 59.68 3mwn h ARG 1037Cb 0.90 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.96 3mwn h ARG 1037CO 0.20 0.87 0.00 1.28 0.10 0.00 0.00 179.97 182.42 3mwn n LEU 1038N -4.38 0.00 -0.31 0.08 7.99 0.18 -2.06 117.00 118.51 3mwn n LEU 1038Ca -0.03 0.92 0.26 0.00 -0.01 0.00 0.00 56.01 57.15 3mwn n LEU 1038Cb 0.37 -0.42 0.49 0.00 -0.11 0.00 0.00 43.42 43.76 3mwn n LEU 1038CO 0.42 -0.42 0.94 -0.62 -1.51 0.00 0.00 177.39 176.21 3mwn n GLU 1039N -2.39 -0.06 0.18 3.23 -0.58 -0.98 -0.92 120.64 119.11 3mwn n GLU 1039Ca 0.00 1.34 -0.14 0.00 -0.42 0.00 0.00 57.16 57.93 3mwn n GLU 1039Cb 0.00 -2.33 -0.08 0.00 -0.57 0.00 0.00 31.44 28.46 3mwn n GLU 1039CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mwn h ALA 1040N 1.90 -0.41 -0.38 0.62 0.00 -1.51 -0.70 119.26 118.78 3mwn h ALA 1040Ca 0.75 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.57 3mwn h ALA 1040Cb 1.89 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 3mwn h ALA 1040CO -0.77 -0.66 0.12 0.00 0.00 0.00 0.00 179.25 177.94 3mwn h ALA 1041N 0.09 0.44 -0.24 0.00 0.00 -0.66 0.20 119.26 119.10 3mwn h ALA 1041Ca -0.04 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mwn h ALA 1041Cb 0.41 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3mwn h ALA 1041CO 0.07 -0.27 0.06 0.93 0.00 0.00 0.00 179.25 180.04 3mwn h GLU 1042N 0.28 0.16 -0.53 0.00 4.39 -1.41 1.16 114.58 118.63 3mwn h GLU 1042Ca 0.18 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.94 3mwn h GLU 1042Cb 0.16 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 3mwn h GLU 1042CO -0.19 0.11 0.20 0.87 -1.16 0.00 0.00 179.01 178.83 3mwn h LYS 1043N 0.17 0.37 -0.43 2.33 1.79 -0.21 0.19 116.57 120.77 3mwn h LYS 1043Ca 0.11 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.44 3mwn h LYS 1043Cb 0.09 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3mwn h LYS 1043CO -0.13 0.24 -0.20 1.25 -1.08 0.00 0.00 179.45 179.54 3mwn h LEU 1044N 0.38 0.86 -0.34 2.94 5.85 -0.31 -2.76 115.31 121.93 3mwn h LEU 1044Ca 0.26 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.72 3mwn h LEU 1044Cb 0.28 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3mwn h LEU 1044CO -0.25 1.04 0.04 1.23 -0.34 0.00 0.00 178.44 180.16 3mwn h GLY 1045N 0.95 0.37 1.60 3.75 0.00 0.41 -2.10 103.07 108.05 3mwn h GLY 1045Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3mwn h GLY 1045CO 0.06 -0.04 -0.17 -1.14 0.00 0.00 0.00 176.54 175.24 3mwn n SER 1046N -5.12 0.19 -3.20 0.19 3.41 0.35 -4.51 113.62 104.94 3mwn n SER 1046Ca 0.01 0.18 -0.20 0.00 -0.26 0.00 0.00 58.87 58.60 3mwn n SER 1046Cb 0.16 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 3mwn n SER 1046CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mwn n ASN 1047N -1.46 -1.32 0.00 4.04 4.05 -0.81 -4.97 115.26 114.79 3mwn n ASN 1047Ca 0.07 -2.55 0.00 0.00 0.45 0.00 0.00 54.58 52.55 3mwn n ASN 1047Cb 0.33 0.12 0.00 0.00 1.23 0.00 0.00 39.78 41.46 3mwn n ASN 1047CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3mwn n HIS 1048N 2.78 0.00 0.00 1.20 1.44 -1.09 -4.36 115.22 115.20 3mwn n HIS 1048Ca 0.26 0.00 0.21 0.00 -2.01 0.00 0.00 57.72 56.18 3mwn n HIS 1048Cb 0.51 0.00 0.71 0.00 0.12 0.00 0.00 29.99 31.33 3mwn n HIS 1048CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3mwn h GLU 1049N 0.00 0.00 0.00 -1.40 4.39 -1.93 2.31 114.58 117.95 3mwn h GLU 1049Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3mwn h GLU 1049Cb 0.96 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 3mwn h GLU 1049CO 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 179.01 177.18 3mwn h ALA 1050N 1.68 0.71 0.00 3.43 0.00 -1.97 -2.47 119.26 120.64 3mwn h ALA 1050Ca 0.26 -0.21 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 3mwn h ALA 1050Cb 1.08 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3mwn h ALA 1050CO -0.00 0.25 -2.20 1.55 0.00 0.00 0.00 179.25 178.85 3mwn n VAL 1051N -2.93 1.46 -0.03 0.00 3.14 0.94 -2.95 118.33 117.95 3mwn n VAL 1051Ca 0.00 -0.84 -0.13 0.00 -2.96 0.00 0.00 64.34 60.41 3mwn n VAL 1051Cb 0.62 -0.65 -0.11 0.00 -1.06 0.00 0.00 33.84 32.64 3mwn n VAL 1051CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3mwn h VAL 1052N 0.00 1.53 -0.22 1.55 2.07 0.35 -2.04 116.25 119.49 3mwn h VAL 1052Ca -0.48 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 3mwn h VAL 1052Cb 2.18 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 34.53 3mwn h VAL 1052CO 0.04 0.42 0.12 0.50 0.02 0.00 0.00 177.57 178.67 3mwn h LYS 1053N -0.64 0.32 -0.67 1.57 3.64 -1.60 0.08 116.57 119.27 3mwn h LYS 1053Ca -0.00 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.47 3mwn h LYS 1053Cb 0.70 -0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.33 3mwn h LYS 1053CO 0.01 0.30 -0.22 1.49 -2.27 0.00 0.00 179.45 178.76 3mwn h GLU 1054N 0.25 -0.04 -0.83 1.90 4.81 -1.58 0.27 114.58 119.36 3mwn h GLU 1054Ca 0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3mwn h GLU 1054Cb 0.08 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3mwn h GLU 1054CO -0.01 -0.03 0.47 0.00 -0.73 0.00 0.00 179.01 178.71 3mwn h ALA 1055N 1.51 1.06 -0.97 2.92 0.00 -0.92 -3.04 119.26 119.82 3mwn h ALA 1055Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3mwn h ALA 1055Cb 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mwn h ALA 1055CO -0.71 0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.51 3mwn n GLY 1056N -1.13 -3.12 0.33 0.00 0.00 0.91 0.39 105.19 102.56 3mwn n GLY 1056Ca 0.08 0.47 0.21 0.00 0.00 0.00 0.00 46.02 46.78 3mwn n GLY 1056CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mwn h ASP 1057N 0.00 0.07 0.14 1.61 5.19 -1.47 0.91 116.42 122.87 3mwn h ASP 1057Ca 0.00 0.24 -0.11 0.00 -0.62 0.00 0.00 57.03 56.53 3mwn h ASP 1057Cb 0.00 0.30 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3mwn h ASP 1057CO 0.00 -0.29 -0.39 0.00 -3.12 0.00 0.00 179.24 175.44 3mwn h ALA 1058N 1.91 1.04 -0.87 3.45 0.00 -1.23 -2.31 119.26 121.24 3mwn h ALA 1058Ca 0.69 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3mwn h ALA 1058Cb 1.60 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3mwn h ALA 1058CO -0.75 0.60 0.45 0.00 0.00 0.00 0.00 179.25 179.55 3mwn n PHE 1060N -4.32 0.56 -0.06 0.00 3.72 -0.71 -3.39 117.46 113.27 3mwn n PHE 1060Ca 0.09 -0.28 -0.22 0.00 -0.05 0.00 0.00 57.45 56.99 3mwn n PHE 1060Cb 0.12 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.54 3mwn n PHE 1060CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3mwn n SER 1061N 0.74 2.00 0.18 4.37 2.88 -0.54 -2.94 113.62 120.31 3mwn n SER 1061Ca 0.14 0.26 0.04 0.00 -1.33 0.00 0.00 58.87 57.98 3mwn n SER 1061Cb 0.36 -0.85 0.33 0.00 -0.75 0.00 0.00 64.21 63.30 3mwn n SER 1061CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3mwn h LYS 1062N -0.42 0.00 -2.11 -1.46 1.63 -1.59 -3.32 116.57 109.31 3mwn h LYS 1062Ca -0.44 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 58.77 3mwn h LYS 1062Cb 1.73 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.95 3mwn h LYS 1062CO -0.09 0.41 -0.81 0.66 -3.45 0.00 0.00 179.45 176.18 3mwn n TYR 1063N -3.74 2.04 1.57 1.91 4.01 -1.22 -4.91 117.16 116.83 3mwn n TYR 1063Ca -0.01 -3.92 0.02 0.00 -0.16 0.00 0.00 57.90 53.84 3mwn n TYR 1063Cb 0.49 -0.47 0.13 0.00 -0.31 0.00 0.00 39.34 39.18 3mwn n TYR 1063CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mwn n GLY 1064N 1.03 -0.79 0.02 2.72 0.00 -1.15 -2.69 105.19 104.33 3mwn n GLY 1064Ca 0.26 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.37 3mwn n GLY 1064CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3mwn n TYR 1065N -0.59 0.14 0.17 1.61 4.11 -1.26 -3.90 117.16 117.44 3mwn n TYR 1065Ca 0.03 0.04 0.03 0.00 -0.00 0.00 0.00 57.90 58.00 3mwn n TYR 1065Cb 0.02 -0.31 0.38 0.00 -0.00 0.00 0.00 39.34 39.43 3mwn n TYR 1065CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.86 175.95 3mwn h ASN 1066N 0.00 0.06 -0.69 9.48 4.21 -1.88 -2.84 115.58 123.92 3mwn h ASN 1066Ca 0.00 -0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.44 3mwn h ASN 1066Cb 0.60 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.75 3mwn h ASN 1066CO 0.00 0.36 0.25 0.11 -1.29 0.00 0.00 177.43 176.86 3mwn h LYS 1067N 0.06 1.07 -5.34 0.81 6.56 -1.80 -2.06 116.57 115.86 3mwn h LYS 1067Ca 0.01 -0.20 -0.55 0.00 -1.06 0.00 0.00 60.65 58.84 3mwn h LYS 1067Cb 0.56 -0.17 0.14 0.00 -0.57 0.00 0.00 32.23 32.19 3mwn h LYS 1067CO 0.04 0.89 -0.88 0.09 -2.06 0.00 0.00 179.45 177.53 3mwn n ASN 1068N -4.28 -2.70 -4.73 0.86 3.02 -1.07 -3.60 115.26 102.76 3mwn n ASN 1068Ca 0.06 0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 54.89 3mwn n ASN 1068Cb 0.20 -0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 3mwn n ASN 1068CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3mwn n PRO 1069N 1.22 2.68 -2.37 3.52 -0.02 -1.26 -2.04 135.00 136.73 3mwn n PRO 1069Ca 0.09 0.96 -0.04 0.00 -2.02 0.00 0.00 63.50 62.49 3mwn n PRO 1069Cb 0.37 -2.75 0.01 0.00 -0.02 0.00 0.00 33.50 31.10 3mwn n PRO 1069CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mwn n GLY 1070N 2.67 0.40 3.25 -1.23 0.00 -1.26 -5.05 105.19 103.98 3mwn n GLY 1070Ca 0.11 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 3mwn n GLY 1070CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mwn s GLU 1071N -4.68 1.16 0.10 1.61 2.56 -0.87 -5.02 118.70 113.56 3mwn s GLU 1071Ca 0.05 -1.57 -0.02 0.00 0.00 0.00 0.00 54.97 53.43 3mwn s GLU 1071Cb -0.02 -0.27 0.17 0.00 2.00 0.00 0.00 34.13 36.01 3mwn s GLU 1071CO 0.07 -0.15 0.54 0.00 -0.56 0.00 0.00 175.26 175.15 3mwn n ALA 1072N -0.28 0.09 -2.08 6.30 0.00 -1.20 -0.11 120.51 123.23 3mwn n ALA 1072Ca -0.05 0.38 0.05 0.00 0.00 0.00 0.00 53.44 53.81 3mwn n ALA 1072Cb 0.64 -0.23 0.11 0.00 0.00 0.00 0.00 19.45 19.96 3mwn n ALA 1072CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mwn n GLY 1073N -1.21 2.88 0.30 0.00 0.00 -0.87 -4.43 105.19 101.85 3mwn n GLY 1073Ca 0.06 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.11 3mwn n GLY 1073CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3mwn n GLU 1074N -0.24 -0.07 -4.61 1.61 0.28 0.84 -4.33 120.64 114.11 3mwn n GLU 1074Ca 0.12 1.29 -0.24 0.00 -0.16 0.00 0.00 57.16 58.17 3mwn n GLU 1074Cb 0.94 -1.99 -0.14 0.00 1.43 0.00 0.00 31.44 31.68 3mwn n GLU 1074CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3mwn s ASN 1075N -5.11 2.18 -1.10 -1.84 4.22 -1.26 -4.81 114.94 107.21 3mwn s ASN 1075Ca -0.12 -0.46 -0.26 0.00 -2.14 0.00 0.00 52.86 49.88 3mwn s ASN 1075Cb 0.24 -0.19 -0.20 0.00 1.28 0.00 0.00 41.25 42.38 3mwn s ASN 1075CO 0.66 0.14 2.06 0.00 -2.04 0.00 0.00 177.10 177.91 3mwn n GLN 1076N 2.04 0.53 0.00 3.55 6.02 -1.26 -0.89 117.38 127.37 3mwn n GLN 1076Ca -0.17 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 54.91 3mwn n GLN 1076Cb 0.54 -3.86 0.00 0.00 1.02 0.00 0.00 30.24 27.94 3mwn n GLN 1076CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3mwn n GLU 1077N 8.17 0.00 -0.00 -1.09 2.13 -1.26 -4.74 120.64 123.84 3mwn n GLU 1077Ca 0.42 0.00 0.06 0.00 0.66 0.00 0.00 57.16 58.30 3mwn n GLU 1077Cb 0.47 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.10 3mwn n GLU 1077CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3mwn n LYS 1078N 0.00 1.52 -0.01 5.31 5.02 -0.07 -3.90 118.16 126.03 3mwn n LYS 1078Ca 0.00 -0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.31 3mwn n LYS 1078Cb 0.00 -1.18 -0.13 0.00 -0.02 0.00 0.00 35.03 33.70 3mwn n LYS 1078CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3mwn n ILE 1079N -1.65 0.00 0.10 -0.18 3.06 -0.91 -3.55 119.36 116.23 3mwn n ILE 1079Ca -0.00 -0.36 -0.18 0.00 -2.50 0.00 0.00 62.75 59.70 3mwn n ILE 1079Cb 0.26 0.15 -0.14 0.00 0.54 0.00 0.00 39.64 40.45 3mwn n ILE 1079CO 0.00 0.00 0.00 -1.13 -2.50 0.00 0.00 176.55 172.92 3mwn h ASN 1080N 0.00 0.50 0.70 9.51 -0.73 -1.77 -3.33 115.58 120.46 3mwn h ASN 1080Ca 0.00 -0.58 -0.26 0.00 1.87 0.00 0.00 56.30 57.32 3mwn h ASN 1080Cb 0.73 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.15 3mwn h ASN 1080CO 0.00 1.47 -1.23 0.50 -0.37 0.00 0.00 177.43 177.79 3mwn h LYS 1081N 0.09 0.20 -0.13 6.67 3.64 -1.77 -3.30 116.57 121.97 3mwn h LYS 1081Ca -0.20 -0.34 0.04 0.00 -1.27 0.00 0.00 60.65 58.88 3mwn h LYS 1081Cb 2.03 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.97 3mwn h LYS 1081CO 0.20 1.14 0.32 0.00 -2.27 0.00 0.00 179.45 178.84 3mwn h TYR 1083N 0.00 0.08 -0.76 0.00 -1.99 -1.67 -2.97 116.97 109.67 3mwn h TYR 1083Ca 0.06 -0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.77 3mwn h TYR 1083Cb 0.70 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.38 3mwn h TYR 1083CO 0.00 0.79 0.50 -0.09 -0.00 0.00 0.00 178.16 179.36 3mwn h ARG 1084N 0.03 0.96 0.00 4.88 2.43 0.44 -0.44 114.38 122.68 3mwn h ARG 1084Ca -0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3mwn h ARG 1084Cb 1.33 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3mwn h ARG 1084CO 0.10 0.64 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.61 3mwn h ASP 1085N 0.99 0.00 0.02 -3.80 5.19 -1.45 -0.48 116.42 116.89 3mwn h ASP 1085Ca 0.29 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.61 3mwn h ASP 1085Cb -0.06 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.46 3mwn h ASP 1085CO -0.07 0.15 -0.35 0.40 -3.12 0.00 0.00 179.24 176.25 3mwn h ILE 1086N 0.00 1.56 0.00 0.35 2.04 -1.11 -2.57 117.51 117.78 3mwn h ILE 1086Ca -0.00 -2.10 -0.00 0.00 1.00 0.00 0.00 64.86 63.75 3mwn h ILE 1086Cb 0.30 2.89 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3mwn h ILE 1086CO 0.02 0.58 -0.02 0.44 0.00 0.00 0.00 178.15 179.17 3mwn h ASP 1087N -0.49 0.00 -0.03 1.72 5.19 -1.26 -2.47 116.42 119.07 3mwn h ASP 1087Ca -0.05 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.24 3mwn h ASP 1087Cb 1.14 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.66 3mwn h ASP 1087CO 0.07 0.02 -0.44 0.45 -3.12 0.00 0.00 179.24 176.21 3mwn h HIS 1088N 0.00 0.51 -0.34 4.55 3.86 -1.01 0.47 115.15 123.18 3mwn h HIS 1088Ca -0.00 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 58.88 3mwn h HIS 1088Cb 0.07 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3mwn h HIS 1088CO 0.00 1.04 -0.11 1.88 0.86 0.00 0.00 177.93 181.60 3mwn h TYR 1089N -0.17 0.64 0.00 2.45 0.05 -1.20 -2.16 116.97 116.57 3mwn h TYR 1089Ca -0.05 -0.10 -0.09 0.00 0.05 0.00 0.00 58.73 58.54 3mwn h TYR 1089Cb 1.14 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.70 3mwn h TYR 1089CO 0.14 0.68 -0.51 0.52 -1.05 0.00 0.00 178.16 177.94 3mwn h MET 1090N 0.54 0.00 -0.28 4.88 2.86 -1.46 -3.20 114.93 118.26 3mwn h MET 1090Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3mwn h MET 1090Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3mwn h MET 1090CO 0.03 0.39 0.17 -0.09 1.06 0.00 0.00 176.91 178.47 3mwn h ARG 1091N 0.00 0.38 0.00 1.72 2.43 0.54 -2.51 114.38 116.94 3mwn h ARG 1091Ca -0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3mwn h ARG 1091Cb 1.33 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3mwn h ARG 1091CO 0.05 0.31 0.00 1.28 -1.51 0.00 0.00 179.97 180.10 3mwn n LEU 1092N -4.85 0.00 0.05 3.80 4.32 -0.87 -3.28 117.00 116.17 3mwn n LEU 1092Ca -0.02 0.28 -0.16 0.00 -0.02 0.00 0.00 56.01 56.09 3mwn n LEU 1092Cb 0.06 -0.28 -0.14 0.00 -1.62 0.00 0.00 43.42 41.43 3mwn n LEU 1092CO 0.35 -0.02 -0.38 0.40 -1.22 0.00 0.00 177.39 176.52 3mwn h ILE 1093N 0.00 1.10 -0.93 -0.08 2.04 -1.45 -2.36 117.51 115.82 3mwn h ILE 1093Ca 0.00 -2.76 0.01 0.00 1.00 0.00 0.00 64.86 63.11 3mwn h ILE 1093Cb 0.27 2.71 -0.05 0.00 -0.74 0.00 0.00 36.82 39.01 3mwn h ILE 1093CO 0.00 0.80 0.62 -1.13 0.00 0.00 0.00 178.15 178.44 3mwn h ASN 1094N 0.06 1.06 0.89 1.72 -1.24 -1.52 -2.04 115.58 114.51 3mwn h ASN 1094Ca -0.26 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 56.63 3mwn h ASN 1094Cb 2.01 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.79 3mwn h ASN 1094CO 0.15 0.76 -0.47 1.88 -1.29 0.00 0.00 177.43 178.46 3mwn h TYR 1095N 1.25 0.00 0.16 0.67 0.05 -1.63 -3.08 116.97 114.39 3mwn h TYR 1095Ca 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.12 3mwn h TYR 1095Cb -0.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.63 3mwn h TYR 1095CO -0.00 0.47 -0.08 1.15 -1.05 0.00 0.00 178.16 178.66 3mwn h THR 1096N 0.00 0.84 0.00 -2.88 2.02 -0.83 -2.59 112.91 109.47 3mwn h THR 1096Ca -0.00 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3mwn h THR 1096Cb 1.05 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3mwn h THR 1096CO 0.06 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.35 3mwn n LEU 1097N -4.92 0.00 -0.07 2.58 4.32 -0.86 -0.95 117.00 117.10 3mwn n LEU 1097Ca -0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.77 3mwn n LEU 1097Cb 0.26 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.01 3mwn n LEU 1097CO 0.25 0.00 -1.00 0.52 -1.22 0.00 0.00 177.39 175.94 3mwn n VAL 1098N -0.57 0.80 0.44 4.08 0.31 -1.16 -3.98 118.33 118.25 3mwn n VAL 1098Ca 0.02 -0.22 0.11 0.00 -0.01 0.00 0.00 64.34 64.24 3mwn n VAL 1098Cb 0.01 -1.58 0.45 0.00 -0.91 0.00 0.00 33.84 31.80 3mwn n VAL 1098CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3mwn n VAL 1099N -3.53 0.85 0.00 2.52 3.14 -0.98 -4.94 118.33 115.38 3mwn n VAL 1099Ca -0.28 0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 3mwn n VAL 1099Cb 0.71 -1.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 3mwn n VAL 1099CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3mwn n GLY 1100N 0.08 2.28 0.75 7.55 0.00 -0.12 -5.05 105.19 110.67 3mwn n GLY 1100Ca 0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 3mwn n GLY 1100CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwn n GLY 1101N 0.00 2.26 2.03 -0.02 0.00 -1.14 -4.40 105.19 103.91 3mwn n GLY 1101Ca 0.00 -2.16 -0.14 0.00 0.00 0.00 0.00 46.02 43.72 3mwn n GLY 1101CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mwn n THR 1102N -1.10 2.91 -0.01 2.61 -2.24 -1.26 -4.40 114.28 110.80 3mwn n THR 1102Ca 0.02 -1.68 -0.09 0.00 -2.27 0.00 0.00 64.05 60.02 3mwn n THR 1102Cb 0.12 -1.80 -0.08 0.00 -2.10 0.00 0.00 70.33 66.47 3mwn n THR 1102CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3mwn h GLY 1103N 4.32 -0.11 0.88 3.38 0.00 -1.92 -3.13 103.07 106.49 3mwn h GLY 1103Ca 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 3mwn h GLY 1103CO 0.37 -0.04 0.07 -2.55 0.00 0.00 0.00 176.54 174.39 3mwn h PRO 1104N -0.93 0.34 -0.93 4.80 0.11 -1.85 -3.05 132.00 130.49 3mwn h PRO 1104Ca -0.01 -0.07 0.17 0.00 0.11 0.00 0.00 66.00 66.20 3mwn h PRO 1104Cb 0.55 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 31.50 3mwn h PRO 1104CO 0.02 0.43 0.52 1.25 -0.21 0.00 0.00 178.00 180.00 3mwn h LEU 1105N 0.19 0.65 0.00 2.35 5.85 -1.73 -3.14 115.31 119.49 3mwn h LEU 1105Ca 0.07 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3mwn h LEU 1105Cb 0.22 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3mwn h LEU 1105CO -0.00 0.25 0.00 0.47 -0.34 0.00 0.00 178.44 178.81 3mwn n ASP 1106N -4.82 0.00 -0.22 1.25 8.00 -1.15 -1.12 116.55 118.49 3mwn n ASP 1106Ca 0.20 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.86 3mwn n ASP 1106Cb 0.50 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.91 3mwn n ASP 1106CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3mwn n GLU 1107N 0.00 -0.05 -0.19 -1.24 0.28 -1.26 0.25 120.64 118.44 3mwn n GLU 1107Ca 0.00 0.96 0.03 0.00 -0.16 0.00 0.00 57.16 57.99 3mwn n GLU 1107Cb 0.00 -1.63 0.12 0.00 1.43 0.00 0.00 31.44 31.36 3mwn n GLU 1107CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 3mwn n TRP 1108N -4.68 0.46 0.00 -1.84 8.01 -1.18 -4.55 117.44 113.66 3mwn n TRP 1108Ca 0.21 -0.19 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 3mwn n TRP 1108Cb 0.71 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.92 3mwn n TRP 1108CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mwn n GLY 1109N 0.65 -1.75 0.00 6.99 0.00 0.71 -4.96 105.19 106.82 3mwn n GLY 1109Ca 0.09 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3mwn n GLY 1109CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3mwn n ILE 1110N 0.00 0.00 -3.72 -0.61 0.13 -0.41 -4.33 119.36 110.42 3mwn n ILE 1110Ca 0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.52 3mwn n ILE 1110Cb 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 38.70 3mwn n ILE 1110CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3mwn s ALA 1111N -1.00 -1.04 0.00 1.51 0.00 -1.26 -4.83 121.76 115.13 3mwn s ALA 1111Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3mwn s ALA 1111Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.56 3mwn s ALA 1111CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3mwn n GLY 1112N 2.54 3.25 0.14 0.00 0.00 -1.26 -4.78 105.19 105.07 3mwn n GLY 1112Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 3mwn n GLY 1112CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwn h ALA 1113N 0.00 0.03 0.11 4.61 0.00 -1.95 -3.16 119.26 118.90 3mwn h ALA 1113Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 3mwn h ALA 1113Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mwn h ALA 1113CO 0.00 0.89 -0.06 0.07 0.00 0.00 0.00 179.25 180.16 3mwn h ARG 1114N 0.12 -0.15 -0.25 0.00 0.11 -1.88 -2.87 114.38 109.45 3mwn h ARG 1114Ca -0.27 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.82 3mwn h ARG 1114Cb 2.11 0.03 0.00 0.00 1.11 0.00 0.00 29.97 33.22 3mwn h ARG 1114CO 0.22 0.23 0.00 -1.91 0.10 0.00 0.00 179.97 178.61 3mwn n GLU 1115N -4.98 2.03 0.13 0.08 2.13 -1.26 -2.62 120.64 116.14 3mwn n GLU 1115Ca -0.09 -1.55 0.12 0.00 0.66 0.00 0.00 57.16 56.31 3mwn n GLU 1115Cb 0.23 -1.43 0.27 0.00 0.27 0.00 0.00 31.44 30.78 3mwn n GLU 1115CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 3mwn h VAL 1116N 3.06 0.00 -0.19 6.31 -1.51 -1.58 -3.19 116.25 119.15 3mwn h VAL 1116Ca 0.00 -0.65 -0.13 0.00 -1.23 0.00 0.00 66.70 64.69 3mwn h VAL 1116Cb 0.67 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 3mwn h VAL 1116CO 0.00 0.00 -0.44 1.88 -1.23 0.00 0.00 177.57 177.78 3mwn h TYR 1117N 0.00 0.55 -0.21 5.19 0.99 -1.27 -2.60 116.97 119.62 3mwn h TYR 1117Ca 0.00 -0.17 -0.06 0.00 2.00 0.00 0.00 58.73 60.51 3mwn h TYR 1117Cb 0.83 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.43 3mwn h TYR 1117CO 0.00 0.82 -0.12 0.00 -0.00 0.00 0.00 178.16 178.86 3mwn h ARG 1118N 0.37 0.34 -0.25 4.88 2.47 -1.56 1.64 114.38 122.27 3mwn h ARG 1118Ca 0.03 -0.09 -0.14 0.00 -1.26 0.00 0.00 59.98 58.52 3mwn h ARG 1118Cb 0.92 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.19 3mwn h ARG 1118CO 0.08 0.47 -0.42 1.15 0.56 0.00 0.00 179.97 181.82 3mwn h THR 1119N 0.32 1.30 0.00 2.04 2.02 -1.51 -3.16 112.91 113.93 3mwn h THR 1119Ca 0.06 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.65 3mwn h THR 1119Cb 0.41 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3mwn h THR 1119CO 0.02 0.50 -0.61 0.18 0.37 0.00 0.00 175.52 175.99 3mwn n LEU 1120N -4.03 0.57 -1.56 2.58 4.32 -0.04 -4.96 117.00 113.90 3mwn n LEU 1120Ca -0.02 -0.02 -0.07 0.00 -0.02 0.00 0.00 56.01 55.88 3mwn n LEU 1120Cb 0.53 -0.21 0.03 0.00 -1.62 0.00 0.00 43.42 42.15 3mwn n LEU 1120CO 0.46 0.11 0.06 -3.20 -1.22 0.00 0.00 177.39 173.60 3mwn n ASN 1121N -1.61 -2.94 -4.31 -1.43 5.15 0.54 -5.01 115.26 105.64 3mwn n ASN 1121Ca 0.05 -0.18 -0.43 0.00 -0.60 0.00 0.00 54.58 53.42 3mwn n ASN 1121Cb 0.36 -1.92 -0.08 0.00 -0.53 0.00 0.00 39.78 37.61 3mwn n ASN 1121CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3mwn s LEU 1122N -3.09 5.61 0.51 1.20 1.02 -0.02 -4.84 118.68 119.07 3mwn s LEU 1122Ca 0.13 -1.57 -0.21 0.00 0.02 0.00 0.00 54.13 52.49 3mwn s LEU 1122Cb -0.06 -2.10 -0.08 0.00 0.02 0.00 0.00 46.19 43.97 3mwn s LEU 1122CO 0.23 -0.66 0.98 -2.65 0.02 0.00 0.00 176.35 174.26 3mwn n PRO 1123N 5.08 1.16 0.06 1.29 -0.02 -1.26 -4.60 135.00 136.71 3mwn n PRO 1123Ca -0.11 0.43 -0.18 0.00 -2.02 0.00 0.00 63.50 61.62 3mwn n PRO 1123Cb 0.42 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.71 3mwn n PRO 1123CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3mwn h SER 1124N 1.06 0.75 0.49 2.55 4.64 -1.96 -3.23 113.55 117.86 3mwn h SER 1124Ca -0.47 -0.63 -0.03 0.00 -0.47 0.00 0.00 61.79 60.20 3mwn h SER 1124Cb 1.35 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3mwn h SER 1124CO 0.54 1.43 -0.13 0.00 -0.87 0.00 0.00 176.83 177.80 3mwn h ALA 1125N 0.51 1.20 -0.29 5.18 0.00 -1.93 -2.37 119.26 121.57 3mwn h ALA 1125Ca -0.12 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3mwn h ALA 1125Cb 1.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3mwn h ALA 1125CO 0.20 0.16 -0.14 0.00 0.00 0.00 0.00 179.25 179.47 3mwn h ALA 1126N 1.87 0.41 -0.20 0.00 0.00 -1.94 -2.67 119.26 116.73 3mwn h ALA 1126Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 3mwn h ALA 1126Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3mwn h ALA 1126CO 0.02 0.30 -0.11 1.88 0.00 0.00 0.00 179.25 181.34 3mwn h TYR 1127N 0.36 0.34 0.00 0.00 -1.99 -1.52 -2.13 116.97 112.03 3mwn h TYR 1127Ca 0.07 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3mwn h TYR 1127Cb 0.66 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.29 3mwn h TYR 1127CO 0.06 0.43 -0.03 -0.89 -0.00 0.00 0.00 178.16 177.73 3mwn n ILE 1128N -4.26 0.05 0.19 -2.88 5.41 -0.93 -3.32 119.36 113.62 3mwn n ILE 1128Ca -0.00 -0.03 0.07 0.00 1.00 0.00 0.00 62.75 63.79 3mwn n ILE 1128Cb 0.27 -0.46 0.23 0.00 -0.71 0.00 0.00 39.64 38.97 3mwn n ILE 1128CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mwn h ALA 1129N 2.96 0.87 0.12 -1.39 0.00 -1.02 -3.20 119.26 117.59 3mwn h ALA 1129Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 3mwn h ALA 1129Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3mwn h ALA 1129CO 0.00 0.39 -1.31 0.00 0.00 0.00 0.00 179.25 178.33 3mwn h ALA 1130N 1.69 0.15 0.76 0.00 0.00 -1.64 -3.36 119.26 116.86 3mwn h ALA 1130Ca -0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 3mwn h ALA 1130Cb 1.06 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.93 3mwn h ALA 1130CO 0.04 1.02 -0.37 0.74 0.00 0.00 0.00 179.25 180.69 3mwn h PHE 1131N 0.07 -0.95 -0.82 0.00 0.04 -1.68 -2.12 116.94 111.48 3mwn h PHE 1131Ca -0.16 -0.02 0.14 0.00 2.80 0.00 0.00 57.97 60.73 3mwn h PHE 1131Cb 1.98 0.31 -0.06 0.00 2.20 0.00 0.00 35.95 40.38 3mwn h PHE 1131CO 0.06 -0.59 0.54 -0.39 -0.60 0.00 0.00 178.31 177.33 3mwn h VAL 1132N -1.22 0.82 -0.29 -0.55 -1.51 -1.76 0.39 116.25 112.13 3mwn h VAL 1132Ca -0.10 -0.19 -0.04 0.00 -1.23 0.00 0.00 66.70 65.13 3mwn h VAL 1132Cb 0.79 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 3mwn h VAL 1132CO 0.17 0.10 0.01 0.15 -1.23 0.00 0.00 177.57 176.78 3mwn h PHE 1133N 0.56 0.55 -0.59 5.19 3.57 -1.70 0.25 116.94 124.77 3mwn h PHE 1133Ca 0.41 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.83 3mwn h PHE 1133Cb 0.77 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3mwn h PHE 1133CO -0.00 0.64 0.38 1.15 -2.23 0.00 0.00 178.31 178.25 3mwn h THR 1134N 0.30 1.12 0.00 4.41 2.02 -0.15 -2.14 112.91 118.47 3mwn h THR 1134Ca 0.08 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 3mwn h THR 1134Cb 0.41 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3mwn h THR 1134CO 0.01 0.14 -0.39 -0.09 0.37 0.00 0.00 175.52 175.56 3mwn h ARG 1135N 0.77 0.00 0.03 6.66 2.43 -0.19 -3.26 114.38 120.82 3mwn h ARG 1135Ca 0.23 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.18 3mwn h ARG 1135Cb -0.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3mwn h ARG 1135CO -0.07 0.39 -1.02 -0.44 -1.51 0.00 0.00 179.97 177.32 3mwn h ASP 1136N 0.00 0.16 1.17 -3.80 3.32 -0.15 -3.35 116.42 113.77 3mwn h ASP 1136Ca -0.00 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 3mwn h ASP 1136Cb 0.91 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3mwn h ASP 1136CO 0.05 1.08 -0.45 0.03 -1.72 0.00 0.00 179.24 178.23 3mwn h ARG 1137N 0.04 0.00 -6.47 3.56 2.47 -1.43 -3.47 114.38 109.08 3mwn h ARG 1137Ca -0.05 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 58.20 3mwn h ARG 1137Cb 1.74 0.00 0.24 0.00 -1.65 0.00 0.00 29.97 30.30 3mwn h ARG 1137CO 0.15 0.45 -1.55 1.28 0.56 0.00 0.00 179.97 180.85 3mwn n LEU 1138N -3.36 -2.52 -3.63 3.04 4.77 -1.26 -5.05 117.00 108.99 3mwn n LEU 1138Ca 0.01 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.85 3mwn n LEU 1138Cb 0.63 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 3mwn n LEU 1138CO 0.39 -3.06 0.77 0.00 -1.33 0.00 0.00 177.39 174.16 3mwn h ALA 1140N 3.90 0.00 0.00 0.00 0.00 -1.87 -1.74 119.26 119.55 3mwn h ALA 1140Ca -0.27 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3mwn h ALA 1140Cb 1.18 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3mwn h ALA 1140CO 0.14 0.14 -0.27 -1.35 0.00 0.00 0.00 179.25 177.91 3mwn h PRO 1141N -0.86 0.00 0.02 0.00 0.11 -1.90 -2.96 132.00 126.42 3mwn h PRO 1141Ca 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.80 3mwn h PRO 1141Cb 0.14 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 3mwn h PRO 1141CO 0.00 0.27 -1.69 -2.13 -0.21 0.00 0.00 178.00 174.24 3mwn n ARG 1142N -4.09 0.61 -0.11 1.05 0.63 -1.26 -4.78 116.66 108.71 3mwn n ARG 1142Ca -0.02 0.44 -0.24 0.00 -0.92 0.00 0.00 57.85 57.11 3mwn n ARG 1142Cb 0.33 -1.69 -0.11 0.00 0.45 0.00 0.00 32.46 31.44 3mwn n ARG 1142CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3mwn n ASP 1143N -4.16 1.89 0.00 6.15 10.43 -0.87 -5.05 116.55 124.94 3mwn n ASP 1143Ca -0.37 0.39 0.00 0.00 2.57 0.00 0.00 54.79 57.38 3mwn n ASP 1143Cb 0.80 -0.92 0.00 0.00 1.84 0.00 0.00 41.12 42.84 3mwn n ASP 1143CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 3mwn n MET 1144N -4.34 0.00 -4.21 -1.24 0.00 -0.71 -5.01 117.12 101.60 3mwn n MET 1144Ca -0.38 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.16 3mwn n MET 1144Cb 0.75 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.89 3mwn n MET 1144CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3mwn s SER 1145N 1.00 0.91 -0.04 3.17 0.15 -1.18 -4.54 113.70 113.17 3mwn s SER 1145Ca 0.00 -1.54 -0.21 0.00 0.70 0.00 0.00 55.95 54.90 3mwn s SER 1145Cb 0.00 0.51 -0.15 0.00 -1.71 0.00 0.00 66.02 64.67 3mwn s SER 1145CO 0.00 -1.02 0.91 0.00 1.20 0.00 0.00 173.24 174.33 3mwn h ALA 1146N 2.32 -0.32 0.00 5.45 0.00 -1.93 -2.42 119.26 122.35 3mwn h ALA 1146Ca -0.29 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3mwn h ALA 1146Cb 1.24 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3mwn h ALA 1146CO 0.43 -0.40 -0.65 -0.56 0.00 0.00 0.00 179.25 178.07 3mwn h GLN 1147N -0.89 0.00 -0.41 0.00 -0.00 -1.99 -3.17 115.11 108.66 3mwn h GLN 1147Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.54 3mwn h GLN 1147Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.97 3mwn h GLN 1147CO 0.05 0.65 -0.06 0.00 -0.00 0.00 0.00 178.83 179.48 3mwn h ALA 1148N 1.35 1.14 0.01 0.06 0.00 -1.75 -3.28 119.26 116.78 3mwn h ALA 1148Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3mwn h ALA 1148Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3mwn h ALA 1148CO 0.08 0.55 -0.00 0.78 0.00 0.00 0.00 179.25 180.66 3mwn h GLY 1149N 0.95 -0.01 1.52 0.00 0.00 -1.41 -2.46 103.07 101.67 3mwn h GLY 1149Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3mwn h GLY 1149CO 0.03 -0.00 0.21 -0.39 0.00 0.00 0.00 176.54 176.39 3mwn h VAL 1150N -0.65 0.00 0.00 4.60 -1.51 -1.61 1.02 116.25 118.11 3mwn h VAL 1150Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3mwn h VAL 1150Cb 0.64 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 3mwn h VAL 1150CO 0.00 0.00 -1.81 -0.62 -1.23 0.00 0.00 177.57 173.91 3mwn n GLU 1151N -2.61 0.56 0.18 5.19 -0.58 -1.21 -2.64 120.64 119.54 3mwn n GLU 1151Ca -0.02 -0.16 0.04 0.00 -0.42 0.00 0.00 57.16 56.60 3mwn n GLU 1151Cb 0.26 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 29.93 3mwn n GLU 1151CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3mwn h PHE 1152N 0.00 0.00 0.00 -0.32 3.57 0.14 -2.69 116.94 117.64 3mwn h PHE 1152Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3mwn h PHE 1152Cb 0.90 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3mwn h PHE 1152CO 0.00 0.43 -0.79 0.00 -2.23 0.00 0.00 178.31 175.72 3mwn h THR 1154N 0.00 1.51 0.00 0.00 2.02 -1.24 -1.32 112.91 113.88 3mwn h THR 1154Ca 0.00 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.70 3mwn h THR 1154Cb 0.80 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 3mwn h THR 1154CO 0.00 0.71 -0.80 0.00 0.37 0.00 0.00 175.52 175.80 3mwn n ALA 1155N -2.42 3.71 0.11 6.16 0.00 -1.14 -1.98 120.51 124.94 3mwn n ALA 1155Ca -0.01 -0.42 -0.19 0.00 0.00 0.00 0.00 53.44 52.82 3mwn n ALA 1155Cb 0.72 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.03 3mwn n ALA 1155CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mwn h LEU 1156N 0.00 0.53 -0.26 0.00 3.38 -1.63 -3.03 115.31 114.30 3mwn h LEU 1156Ca 0.00 -0.61 -0.20 0.00 0.09 0.00 0.00 57.88 57.16 3mwn h LEU 1156Cb 0.60 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3mwn h LEU 1156CO 0.00 1.48 -0.89 0.44 0.09 0.00 0.00 178.44 179.56 3mwn h ASP 1157N 0.09 0.29 -0.09 -0.43 3.32 -1.34 -0.61 116.42 117.66 3mwn h ASP 1157Ca -0.20 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.64 3mwn h ASP 1157Cb 2.04 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 41.49 3mwn h ASP 1157CO 0.21 1.04 0.09 0.22 -1.72 0.00 0.00 179.24 179.08 3mwn h TYR 1158N 0.12 0.00 0.11 4.55 3.20 -1.47 -0.46 116.97 123.02 3mwn h TYR 1158Ca -0.05 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.47 3mwn h TYR 1158Cb 1.52 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.78 3mwn h TYR 1158CO 0.03 0.00 -1.92 -0.07 -1.64 0.00 0.00 178.16 174.56 3mwn h LEU 1159N 0.00 0.37 -0.96 2.82 3.38 -1.36 -3.14 115.31 116.41 3mwn h LEU 1159Ca 0.04 -0.80 0.03 0.00 0.09 0.00 0.00 57.88 57.25 3mwn h LEU 1159Cb 0.22 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3mwn h LEU 1159CO -0.00 1.71 0.63 0.40 0.09 0.00 0.00 178.44 181.27 3mwn h ILE 1160N 0.06 1.19 -0.24 1.22 2.04 -0.55 -1.64 117.51 119.59 3mwn h ILE 1160Ca -0.39 -0.43 -0.16 0.00 1.00 0.00 0.00 64.86 64.88 3mwn h ILE 1160Cb 2.04 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3mwn h ILE 1160CO 0.10 0.23 -0.51 0.78 0.00 0.00 0.00 178.15 178.75 3mwn h ASN 1161N 1.25 0.75 0.08 1.72 2.35 -1.26 -3.18 115.58 117.30 3mwn h ASN 1161Ca 0.37 -0.39 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3mwn h ASN 1161Cb -0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3mwn h ASN 1161CO -0.11 1.13 -0.31 0.28 -1.65 0.00 0.00 177.43 176.77 3mwn h SER 1162N 0.54 0.35 0.42 5.81 0.02 -1.37 -3.10 113.55 116.23 3mwn h SER 1162Ca 0.02 -0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 3mwn h SER 1162Cb 1.07 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3mwn h SER 1162CO 0.10 0.65 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.71 3mwn h LEU 1163N 0.30 0.25 0.00 5.07 -0.00 -1.33 -3.50 115.31 116.11 3mwn h LEU 1163Ca 0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 3mwn h LEU 1163Cb 0.70 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 3mwn h LEU 1163CO 0.05 0.84 0.00 -1.20 -0.00 0.00 0.00 178.44 178.14