#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j83 s PRO 1028N 0.00 2.92 -0.04 2.61 0.04 -1.26 -4.97 135.00 134.30 1j83 s PRO 1028Ca 0.00 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.48 1j83 s PRO 1028Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1j83 s PRO 1028CO 0.00 -1.16 -0.12 0.95 0.04 0.00 0.00 177.00 176.71 1j83 s THR 1029N -2.26 1.09 0.73 1.26 -4.23 -1.26 -5.00 115.64 105.97 1j83 s THR 1029Ca 0.68 -0.50 -0.15 0.00 -1.18 0.00 0.00 61.69 60.54 1j83 s THR 1029Cb -0.21 -0.97 0.04 0.00 1.34 0.00 0.00 72.50 72.71 1j83 s THR 1029CO 0.39 0.33 1.18 0.00 -0.54 0.00 0.00 174.62 175.98 1j83 s ALA 1030N 0.29 2.15 0.83 3.99 0.00 -1.26 -1.16 121.76 126.59 1j83 s ALA 1030Ca -0.07 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 1j83 s ALA 1030Cb -0.12 -3.44 0.09 0.00 0.00 0.00 0.00 23.12 19.65 1j83 s ALA 1030CO 0.02 -1.82 1.09 -1.25 0.00 0.00 0.00 175.76 173.80 1j83 s PRO 1031N -4.01 1.81 -0.02 0.00 0.04 -1.26 -4.56 135.00 127.00 1j83 s PRO 1031Ca 0.72 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.60 1j83 s PRO 1031Cb -0.27 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1j83 s PRO 1031CO 0.45 -1.86 0.01 1.63 0.04 0.00 0.00 177.00 177.27 1j83 n LYS 1032N -3.62 3.63 -3.62 4.56 5.02 -1.26 -4.99 118.16 117.88 1j83 n LYS 1032Ca 0.07 -0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.14 1j83 n LYS 1032Cb 0.55 -1.05 -0.17 0.00 -0.02 0.00 0.00 35.03 34.35 1j83 n LYS 1032CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1j83 s ASP 1033N -3.24 1.72 -0.18 4.39 -1.08 -1.26 -4.99 116.67 112.03 1j83 s ASP 1033Ca -0.01 -0.27 0.14 0.00 -0.52 0.00 0.00 52.55 51.89 1j83 s ASP 1033Cb 0.01 -0.08 0.43 0.00 -1.46 0.00 0.00 42.92 41.81 1j83 s ASP 1033CO 0.07 -0.31 1.20 0.33 0.52 0.00 0.00 175.17 176.99 1j83 n PHE 1034N 5.30 0.32 0.29 -5.34 7.35 -1.26 -4.79 117.46 119.33 1j83 n PHE 1034Ca -0.05 -1.40 0.16 0.00 -0.76 0.00 0.00 57.45 55.39 1j83 n PHE 1034Cb 0.49 -0.24 0.74 0.00 0.35 0.00 0.00 39.48 40.82 1j83 n PHE 1034CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1j83 h SER 1035N 1.17 0.00 1.63 -2.13 4.64 -1.94 -2.16 113.55 114.77 1j83 h SER 1035Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1j83 h SER 1035Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1j83 h SER 1035CO 0.10 0.00 -0.01 0.77 -0.87 0.00 0.00 176.83 176.82 1j83 h SER 1036N 0.00 0.00 0.00 4.97 4.64 -2.04 -3.47 113.55 117.65 1j83 h SER 1036Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j83 h SER 1036Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1j83 h SER 1036CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1j83 n GLY 1037N 1.24 0.67 3.60 -0.77 0.00 -0.81 -5.01 105.19 104.12 1j83 n GLY 1037Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1j83 n GLY 1037CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j83 s PHE 1038N -2.43 0.04 -0.63 1.61 -0.12 -1.26 -4.89 117.98 110.30 1j83 s PHE 1038Ca 0.00 -0.42 -0.27 0.00 -0.05 0.00 0.00 56.93 56.19 1j83 s PHE 1038Cb 0.00 0.37 0.01 0.00 -0.63 0.00 0.00 43.02 42.77 1j83 s PHE 1038CO 0.00 -1.00 1.52 -1.58 -0.05 0.00 0.00 175.22 174.12 1j83 s TRP 1039N -3.93 2.07 -0.78 3.49 0.51 -0.64 -4.77 118.94 114.88 1j83 s TRP 1039Ca 0.14 0.41 0.12 0.00 -2.12 0.00 0.00 56.10 54.65 1j83 s TRP 1039Cb -0.02 -4.37 -0.09 0.00 -0.81 0.00 0.00 33.47 28.19 1j83 s TRP 1039CO 0.03 -2.14 0.59 -0.40 -0.51 0.00 0.00 176.95 174.52 1j83 n ASP 1040N 10.56 0.85 -1.73 2.95 5.68 -1.26 -1.44 116.55 132.16 1j83 n ASP 1040Ca 0.12 -0.93 -0.12 0.00 -0.50 0.00 0.00 54.79 53.36 1j83 n ASP 1040Cb 0.50 0.83 -0.04 0.00 -1.14 0.00 0.00 41.12 41.27 1j83 n ASP 1040CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1j83 n PHE 1041N -0.93 -0.76 1.69 2.11 3.01 -1.26 -4.60 117.46 116.72 1j83 n PHE 1041Ca 0.03 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.59 1j83 n PHE 1041Cb 0.22 -2.56 0.50 0.00 -0.01 0.00 0.00 39.48 37.62 1j83 n PHE 1041CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1j83 n ASN 1042N -0.88 0.69 -1.39 4.37 3.02 -1.26 -3.55 115.26 116.26 1j83 n ASN 1042Ca -0.13 -1.52 0.10 0.00 -0.03 0.00 0.00 54.58 53.00 1j83 n ASN 1042Cb 0.47 -0.04 0.32 0.00 -0.61 0.00 0.00 39.78 39.93 1j83 n ASN 1042CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1j83 n ASP 1043N -0.34 4.29 0.00 6.41 5.68 -1.26 -4.94 116.55 126.39 1j83 n ASP 1043Ca 0.15 -2.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1j83 n ASP 1043Cb 0.18 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1j83 n ASP 1043CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j83 n GLY 1044N 1.19 0.70 3.86 6.12 0.00 -1.23 -4.84 105.19 110.99 1j83 n GLY 1044Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1j83 n GLY 1044CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j83 s THR 1045N -2.95 2.13 -2.15 2.61 -4.23 -1.26 -4.73 115.64 105.06 1j83 s THR 1045Ca 0.00 -1.49 0.16 0.00 -1.18 0.00 0.00 61.69 59.19 1j83 s THR 1045Cb 0.00 -2.61 0.40 0.00 1.34 0.00 0.00 72.50 71.62 1j83 s THR 1045CO 0.00 0.00 1.44 0.35 -0.54 0.00 0.00 174.62 175.87 1j83 n THR 1046N -1.58 0.27 -4.24 3.99 -2.24 -1.21 -4.65 114.28 104.62 1j83 n THR 1046Ca 0.00 -0.34 -0.35 0.00 -2.27 0.00 0.00 64.05 61.09 1j83 n THR 1046Cb 0.63 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 1j83 n THR 1046CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j83 n GLN 1047N 0.25 -2.62 0.00 -0.78 6.02 -1.03 -1.27 117.38 117.95 1j83 n GLN 1047Ca 0.14 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1j83 n GLN 1047Cb 0.28 -4.83 0.00 0.00 1.02 0.00 0.00 30.24 26.71 1j83 n GLN 1047CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j83 n GLY 1048N -1.53 3.06 3.76 1.08 0.00 -0.31 -4.48 105.19 106.78 1j83 n GLY 1048Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1j83 n GLY 1048CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j83 s PHE 1049N -2.83 3.64 0.18 1.61 0.40 -0.40 -2.56 117.98 118.03 1j83 s PHE 1049Ca 0.00 1.76 -0.24 0.00 -0.60 0.00 0.00 56.93 57.86 1j83 s PHE 1049Cb 0.00 -3.11 0.06 0.00 0.51 0.00 0.00 43.02 40.48 1j83 s PHE 1049CO 0.00 -0.16 0.95 0.20 0.70 0.00 0.00 175.22 176.91 1j83 s GLY 1050N -1.23 -0.11 0.27 4.36 0.00 -0.61 -4.50 107.32 105.50 1j83 s GLY 1050Ca 0.47 -0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.84 1j83 s GLY 1050CO 0.33 0.44 1.49 0.14 0.00 0.00 0.00 173.10 175.49 1j83 s VAL 1051N -3.05 2.42 0.33 1.40 1.01 -1.26 -1.10 120.40 120.15 1j83 s VAL 1051Ca 0.14 0.36 -0.28 0.00 0.00 0.00 0.00 61.98 62.21 1j83 s VAL 1051Cb -0.02 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 1j83 s VAL 1051CO 0.04 0.06 1.16 0.21 0.00 0.00 0.00 175.10 176.57 1j83 s ASN 1052N 0.34 6.95 0.59 3.32 2.47 0.95 -4.74 114.94 124.82 1j83 s ASN 1052Ca 0.60 2.36 0.30 0.00 0.42 0.00 0.00 52.86 56.54 1j83 s ASN 1052Cb -0.44 -2.63 1.78 0.00 -1.45 0.00 0.00 41.25 38.51 1j83 s ASN 1052CO 0.46 -0.38 2.19 -0.65 -3.72 0.00 0.00 177.10 175.01 1j83 h PRO 1053N 3.35 0.00 -0.73 0.43 0.11 -1.92 -1.47 132.00 131.77 1j83 h PRO 1053Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1j83 h PRO 1053Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1j83 h PRO 1053CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 1j83 n ASP 1054N -3.79 4.12 -4.75 -2.05 8.00 -1.26 -4.98 116.55 111.84 1j83 n ASP 1054Ca -0.01 -2.07 -0.41 0.00 0.71 0.00 0.00 54.79 53.01 1j83 n ASP 1054Cb 0.18 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 1j83 n ASP 1054CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1j83 s SER 1055N -0.98 6.82 0.12 -2.24 0.15 -0.56 -4.91 113.70 112.10 1j83 s SER 1055Ca 0.50 2.55 0.24 0.00 0.70 0.00 0.00 55.95 59.94 1j83 s SER 1055Cb 0.27 -2.63 0.92 0.00 -1.71 0.00 0.00 66.02 62.88 1j83 s SER 1055CO 0.32 -0.55 1.73 -0.81 1.20 0.00 0.00 173.24 175.14 1j83 n PRO 1056N 1.83 0.12 -4.62 5.44 -0.04 -1.26 -4.62 135.00 131.85 1j83 n PRO 1056Ca 0.04 0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 63.47 1j83 n PRO 1056Cb 0.42 -1.68 -0.17 0.00 -0.04 0.00 0.00 33.50 32.04 1j83 n PRO 1056CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1j83 s ILE 1057N -3.11 1.18 -0.01 0.52 1.01 -1.26 -5.05 121.20 114.48 1j83 s ILE 1057Ca 0.09 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1j83 s ILE 1057Cb 0.13 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1j83 s ILE 1057CO 0.46 0.36 0.05 0.35 0.00 0.00 0.00 174.94 176.16 1j83 n THR 1058N 3.74 0.04 -0.58 2.92 -2.24 -1.26 -4.59 114.28 112.31 1j83 n THR 1058Ca -0.22 -0.08 -0.03 0.00 -2.27 0.00 0.00 64.05 61.44 1j83 n THR 1058Cb 0.52 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 1j83 n THR 1058CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j83 n ALA 1059N -1.70 4.34 -3.02 6.98 0.00 -1.26 -4.81 120.51 121.03 1j83 n ALA 1059Ca -0.01 -0.52 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 1j83 n ALA 1059Cb 0.18 -1.51 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 1j83 n ALA 1059CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j83 s ILE 1060N 0.58 3.28 0.02 0.00 -1.09 -1.26 -4.91 121.20 117.82 1j83 s ILE 1060Ca 0.19 -0.58 -0.21 0.00 -2.23 0.00 0.00 60.65 57.82 1j83 s ILE 1060Cb 0.09 -2.39 -0.06 0.00 -1.58 0.00 0.00 42.46 38.52 1j83 s ILE 1060CO 0.00 0.52 0.61 0.21 -1.23 0.00 0.00 174.94 175.05 1j83 s ASN 1061N 0.31 7.02 -0.16 3.58 2.47 -1.08 -4.88 114.94 122.20 1j83 s ASN 1061Ca -0.08 1.21 -0.01 0.00 0.42 0.00 0.00 52.86 54.40 1j83 s ASN 1061Cb -0.15 -2.37 0.04 0.00 -1.45 0.00 0.00 41.25 37.31 1j83 s ASN 1061CO 0.05 0.13 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.83 1j83 s VAL 1062N -0.37 1.00 0.19 -5.21 1.01 -1.26 -1.31 120.40 114.46 1j83 s VAL 1062Ca 0.31 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 1j83 s VAL 1062Cb -0.19 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1j83 s VAL 1062CO 0.18 0.11 0.32 -1.83 0.00 0.00 0.00 175.10 173.88 1j83 s GLU 1063N 1.68 1.27 -0.24 2.72 -1.05 -0.61 -4.77 118.70 117.70 1j83 s GLU 1063Ca 0.01 -1.25 -0.15 0.00 -0.15 0.00 0.00 54.97 53.43 1j83 s GLU 1063Cb -0.15 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 1j83 s GLU 1063CO -0.08 -0.48 0.38 1.21 0.95 0.00 0.00 175.26 177.24 1j83 s ASN 1064N -3.00 6.34 -0.07 0.83 3.84 -1.26 -0.05 114.94 121.56 1j83 s ASN 1064Ca 0.21 0.39 -0.00 0.00 0.21 0.00 0.00 52.86 53.67 1j83 s ASN 1064Cb 0.03 -2.22 0.02 0.00 -0.55 0.00 0.00 41.25 38.54 1j83 s ASN 1064CO 0.04 -0.12 -0.04 0.00 -2.79 0.00 0.00 177.10 174.19 1j83 s ALA 1065N 1.65 0.85 -1.37 1.71 0.00 -0.28 -4.86 121.76 119.46 1j83 s ALA 1065Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 1j83 s ALA 1065Cb -0.15 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 1j83 s ALA 1065CO 0.08 -0.27 0.50 0.09 0.00 0.00 0.00 175.76 176.16 1j83 n ASN 1066N 4.66 -0.57 -2.97 0.00 3.02 -1.26 -2.02 115.26 116.13 1j83 n ASN 1066Ca -0.15 -0.95 -0.22 0.00 -0.03 0.00 0.00 54.58 53.22 1j83 n ASN 1066Cb 0.50 -3.35 0.03 0.00 -0.61 0.00 0.00 39.78 36.36 1j83 n ASN 1066CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1j83 n ASN 1067N -3.01 -6.17 -3.96 6.41 3.02 -1.26 -4.99 115.26 105.30 1j83 n ASN 1067Ca -0.31 -0.27 -0.10 0.00 -0.03 0.00 0.00 54.58 53.88 1j83 n ASN 1067Cb 0.68 -4.99 -0.07 0.00 -0.61 0.00 0.00 39.78 34.79 1j83 n ASN 1067CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j83 s ALA 1068N -3.18 -0.03 -0.54 5.41 0.00 -0.86 -4.40 121.76 118.17 1j83 s ALA 1068Ca 0.28 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 1j83 s ALA 1068Cb -0.12 0.92 0.08 0.00 0.00 0.00 0.00 23.12 23.99 1j83 s ALA 1068CO 0.35 -0.68 0.66 -1.17 0.00 0.00 0.00 175.76 174.91 1j83 s LEU 1069N -2.98 5.15 -0.14 0.00 2.96 -0.23 -1.13 118.68 122.30 1j83 s LEU 1069Ca 0.19 -1.13 -0.22 0.00 -0.22 0.00 0.00 54.13 52.74 1j83 s LEU 1069Cb 0.03 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1j83 s LEU 1069CO 0.02 -0.98 0.68 -0.75 -1.32 0.00 0.00 176.35 173.99 1j83 s LYS 1070N 2.65 4.32 -0.26 1.98 2.20 0.93 -0.80 119.74 130.76 1j83 s LYS 1070Ca 0.13 0.77 -0.00 0.00 -0.36 0.00 0.00 55.97 56.51 1j83 s LYS 1070Cb -0.21 -3.52 0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1j83 s LYS 1070CO 0.09 -0.12 -0.07 0.42 -0.36 0.00 0.00 175.35 175.31 1j83 s ILE 1071N 1.48 2.64 0.12 5.43 1.01 0.25 -1.57 121.20 130.54 1j83 s ILE 1071Ca 0.33 -1.26 0.05 0.00 0.00 0.00 0.00 60.65 59.78 1j83 s ILE 1071Cb -0.17 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1j83 s ILE 1071CO 0.13 0.10 0.01 -0.44 0.00 0.00 0.00 174.94 174.75 1j83 s SER 1072N 1.25 5.02 -0.95 3.58 0.01 -0.43 -2.71 113.70 119.47 1j83 s SER 1072Ca -0.03 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1j83 s SER 1072Cb -0.18 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.87 1j83 s SER 1072CO -0.05 0.15 0.00 0.59 0.41 0.00 0.00 173.24 174.34 1j83 n ASN 1073N 0.33 -3.84 -0.16 2.44 3.02 0.04 -2.63 115.26 114.47 1j83 n ASN 1073Ca -0.10 0.15 -0.07 0.00 -0.03 0.00 0.00 54.58 54.53 1j83 n ASN 1073Cb 0.53 -2.52 0.02 0.00 -0.61 0.00 0.00 39.78 37.20 1j83 n ASN 1073CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1j83 h LEU 1074N 0.00 0.50 -0.05 3.41 3.38 -1.80 -1.66 115.31 119.09 1j83 h LEU 1074Ca -0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1j83 h LEU 1074Cb 0.83 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1j83 h LEU 1074CO 0.28 0.36 -0.03 -1.13 0.09 0.00 0.00 178.44 178.02 1j83 h ASN 1075N 0.60 0.11 -0.28 -0.43 -0.00 -1.64 0.40 115.58 114.35 1j83 h ASN 1075Ca 0.18 -0.43 0.01 0.00 -0.00 0.00 0.00 56.30 56.07 1j83 h ASN 1075Cb -0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.24 1j83 h ASN 1075CO -0.06 0.51 0.19 0.28 -0.00 0.00 0.00 177.43 178.35 1j83 h SER 1076N -0.29 0.28 -0.27 1.15 0.02 -1.88 -1.83 113.55 110.73 1j83 h SER 1076Ca 0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j83 h SER 1076Cb 0.47 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1j83 h SER 1076CO 0.01 0.20 0.00 0.29 -1.14 0.00 0.00 176.83 176.19 1j83 n LYS 1077N -4.50 1.84 -1.00 3.45 4.01 -0.63 -4.93 118.16 116.40 1j83 n LYS 1077Ca 0.02 -1.29 -0.00 0.00 -0.51 0.00 0.00 58.31 56.53 1j83 n LYS 1077Cb 0.11 -1.37 -0.00 0.00 -0.51 0.00 0.00 35.03 33.26 1j83 n LYS 1077CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j83 n GLY 1078N 1.15 0.46 2.59 0.72 0.00 -0.69 -4.93 105.19 104.49 1j83 n GLY 1078Ca 0.15 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1j83 n GLY 1078CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j83 n SER 1079N 0.75 7.50 -0.72 1.61 2.88 0.14 -4.54 113.62 121.24 1j83 n SER 1079Ca -0.00 -3.35 0.06 0.00 -1.33 0.00 0.00 58.87 54.25 1j83 n SER 1079Cb 0.01 -1.30 0.13 0.00 -0.75 0.00 0.00 64.21 62.31 1j83 n SER 1079CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1j83 n ASN 1080N 1.23 1.50 -4.69 -3.46 0.23 -1.26 -1.78 115.26 107.04 1j83 n ASN 1080Ca 0.53 -3.13 -0.42 0.00 -0.53 0.00 0.00 54.58 51.03 1j83 n ASN 1080Cb 0.26 -0.43 -0.03 0.00 -2.08 0.00 0.00 39.78 37.51 1j83 n ASN 1080CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1j83 s ASP 1081N -2.68 7.23 -0.14 0.53 -1.08 -1.26 -4.66 116.67 114.60 1j83 s ASP 1081Ca 0.33 1.50 0.16 0.00 -0.52 0.00 0.00 52.55 54.02 1j83 s ASP 1081Cb 0.33 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.67 1j83 s ASP 1081CO -0.07 -0.43 1.32 0.18 0.52 0.00 0.00 175.17 176.69 1j83 n LEU 1082N 4.94 3.32 -4.90 -1.34 4.77 -1.26 -4.56 117.00 117.97 1j83 n LEU 1082Ca 0.08 -2.92 -0.29 0.00 -0.03 0.00 0.00 56.01 52.85 1j83 n LEU 1082Cb 0.49 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1j83 n LEU 1082CO 0.52 0.68 0.64 -0.94 -1.33 0.00 0.00 177.39 176.96 1j83 s SER 1083N -2.09 5.65 0.16 -1.43 1.04 -1.26 -4.94 113.70 110.83 1j83 s SER 1083Ca 0.36 0.99 -0.05 0.00 0.48 0.00 0.00 55.95 57.74 1j83 s SER 1083Cb 0.29 -1.93 0.02 0.00 0.10 0.00 0.00 66.02 64.51 1j83 s SER 1083CO 0.07 -1.13 1.43 -0.33 0.98 0.00 0.00 173.24 174.26 1j83 h GLU 1084N -0.37 0.55 0.00 4.02 5.08 -1.96 -3.37 114.58 118.53 1j83 h GLU 1084Ca -0.45 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.50 1j83 h GLU 1084Cb 1.24 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1j83 h GLU 1084CO 0.62 1.03 -1.10 0.41 -1.00 0.00 0.00 179.01 178.98 1j83 n GLY 1085N 0.49 -0.83 1.83 -3.84 0.00 -1.26 -0.94 105.19 100.63 1j83 n GLY 1085Ca -0.05 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 1j83 n GLY 1085CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j83 n ASN 1086N -1.60 4.01 0.31 1.61 5.15 -1.26 -4.52 115.26 118.97 1j83 n ASN 1086Ca 0.02 -3.73 0.21 0.00 -0.60 0.00 0.00 54.58 50.49 1j83 n ASN 1086Cb 0.34 -0.75 1.06 0.00 -0.53 0.00 0.00 39.78 39.91 1j83 n ASN 1086CO 0.00 0.00 0.00 2.19 1.40 0.00 0.00 177.26 180.85 1j83 h PHE 1087N 1.26 0.00 -0.03 1.20 -5.15 -1.81 -1.76 116.94 110.65 1j83 h PHE 1087Ca 0.46 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 58.24 1j83 h PHE 1087Cb 1.96 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.13 1j83 h PHE 1087CO 1.31 0.00 0.23 -1.49 -2.00 0.00 0.00 178.31 176.36 1j83 h TRP 1088N 0.00 0.00 0.00 6.09 4.06 -1.97 0.87 115.95 125.00 1j83 h TRP 1088Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1j83 h TRP 1088Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 1j83 h TRP 1088CO 0.00 0.00 -0.13 0.00 -3.56 0.00 0.00 178.44 174.75 1j83 n ALA 1089N -2.00 2.48 -1.99 1.49 0.00 -0.66 -4.86 120.51 114.96 1j83 n ALA 1089Ca -0.02 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 1j83 n ALA 1089Cb 0.29 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.39 1j83 n ALA 1089CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1j83 s ASN 1090N -3.99 5.18 0.64 0.00 0.01 0.30 -4.81 114.94 112.28 1j83 s ASN 1090Ca 0.11 0.21 -0.18 0.00 -0.71 0.00 0.00 52.86 52.30 1j83 s ASN 1090Cb 0.15 -1.05 -0.01 0.00 0.41 0.00 0.00 41.25 40.74 1j83 s ASN 1090CO 0.61 -1.26 1.24 0.54 -1.51 0.00 0.00 177.10 176.72 1j83 s VAL 1091N -2.92 2.34 -0.12 1.60 0.11 -1.25 -4.49 120.40 115.66 1j83 s VAL 1091Ca 0.57 0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.83 1j83 s VAL 1091Cb -0.10 -3.00 -0.01 0.00 -1.53 0.00 0.00 36.38 31.73 1j83 s VAL 1091CO 0.41 -0.06 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.84 1j83 s ARG 1092N -3.49 3.32 -0.08 1.54 0.52 -1.26 -2.06 118.95 117.44 1j83 s ARG 1092Ca 0.79 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 55.31 1j83 s ARG 1092Cb -0.33 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1j83 s ARG 1092CO 0.38 0.21 -0.19 0.42 0.02 0.00 0.00 175.30 176.15 1j83 s ILE 1093N 0.33 1.65 0.09 1.52 1.01 0.38 -0.04 121.20 126.15 1j83 s ILE 1093Ca -0.12 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1j83 s ILE 1093Cb -0.16 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1j83 s ILE 1093CO 0.06 0.47 -0.07 -0.94 0.00 0.00 0.00 174.94 174.47 1j83 s SER 1094N 0.43 1.06 -0.86 3.58 1.04 -0.26 -0.01 113.70 118.68 1j83 s SER 1094Ca -0.16 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.31 1j83 s SER 1094Cb -0.17 0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.16 1j83 s SER 1094CO 0.06 -0.42 2.53 0.00 0.98 0.00 0.00 173.24 176.39 1j83 n ALA 1095N 0.25 6.59 0.15 5.32 0.00 -1.26 -1.57 120.51 129.99 1j83 n ALA 1095Ca -0.14 -3.61 0.14 0.00 0.00 0.00 0.00 53.44 49.83 1j83 n ALA 1095Cb 0.60 -2.40 0.69 0.00 0.00 0.00 0.00 19.45 18.34 1j83 n ALA 1095CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1j83 h ASP 1096N 3.72 0.00 -0.11 0.00 3.32 -1.84 -2.44 116.42 119.07 1j83 h ASP 1096Ca 0.54 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.53 1j83 h ASP 1096Cb 0.49 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1j83 h ASP 1096CO 1.16 0.00 -0.36 2.30 -1.72 0.00 0.00 179.24 180.62 1j83 n ILE 1097N -4.36 2.31 0.07 0.35 -5.35 -1.08 -4.68 119.36 106.62 1j83 n ILE 1097Ca 0.03 -3.08 -0.12 0.00 -0.27 0.00 0.00 62.75 59.31 1j83 n ILE 1097Cb 0.32 -0.26 -0.08 0.00 -1.74 0.00 0.00 39.64 37.87 1j83 n ILE 1097CO 0.00 0.00 0.00 -0.25 -1.76 0.00 0.00 176.55 174.54 1j83 h TRP 1098N 0.98 -0.20 0.00 4.28 7.01 -1.58 -3.39 115.95 123.05 1j83 h TRP 1098Ca 0.07 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1j83 h TRP 1098Cb 1.20 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 28.32 1j83 h TRP 1098CO 0.82 0.20 0.00 0.41 -2.79 0.00 0.00 178.44 177.09 1j83 n GLY 1099N 0.10 0.31 0.30 2.65 0.00 -1.26 -4.46 105.19 102.83 1j83 n GLY 1099Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 1j83 n GLY 1099CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j83 n GLN 1100N -1.27 1.55 -3.70 1.61 1.13 -1.26 -5.16 117.38 110.29 1j83 n GLN 1100Ca 0.00 -0.28 -0.13 0.00 -1.94 0.00 0.00 57.00 54.65 1j83 n GLN 1100Cb 0.19 0.04 -0.07 0.00 0.11 0.00 0.00 30.24 30.51 1j83 n GLN 1100CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1j83 s SER 1101N -1.25 -0.25 -0.07 1.08 1.04 -1.26 -4.61 113.70 108.38 1j83 s SER 1101Ca 0.02 0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.47 1j83 s SER 1101Cb -0.00 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.54 1j83 s SER 1101CO 0.01 -0.60 -0.04 -0.63 0.98 0.00 0.00 173.24 172.96 1j83 s ILE 1102N -2.17 0.61 -0.31 -1.02 1.01 -0.84 -4.96 121.20 113.52 1j83 s ILE 1102Ca -0.07 -0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.23 1j83 s ILE 1102Cb -0.02 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1j83 s ILE 1102CO -0.00 0.28 1.03 0.21 0.00 0.00 0.00 174.94 176.46 1j83 s ASN 1103N 1.55 6.90 -0.19 3.58 3.84 -1.26 -0.69 114.94 128.67 1j83 s ASN 1103Ca -0.00 1.01 0.16 0.00 0.21 0.00 0.00 52.86 54.23 1j83 s ASN 1103Cb -0.13 -2.52 0.47 0.00 -0.55 0.00 0.00 41.25 38.51 1j83 s ASN 1103CO -0.04 -0.83 1.36 2.30 -2.79 0.00 0.00 177.10 177.10 1j83 n ILE 1104N 5.80 2.25 -1.70 -5.21 -5.35 0.09 -4.99 119.36 110.24 1j83 n ILE 1104Ca 0.11 -2.17 -0.43 0.00 -0.27 0.00 0.00 62.75 59.98 1j83 n ILE 1104Cb 0.47 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.07 1j83 n ILE 1104CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1j83 n TYR 1105N -0.86 2.60 -0.18 4.28 9.36 -1.25 -1.22 117.16 129.89 1j83 n TYR 1105Ca 0.22 0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.52 1j83 n TYR 1105Cb 0.86 -2.65 0.00 0.00 -0.63 0.00 0.00 39.34 36.92 1j83 n TYR 1105CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1j83 n GLY 1106N 3.86 1.74 3.83 2.98 0.00 -0.28 -5.04 105.19 112.27 1j83 n GLY 1106Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1j83 n GLY 1106CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j83 s ASP 1107N -3.27 6.14 0.00 1.61 1.01 -0.36 -4.82 116.67 116.98 1j83 s ASP 1107Ca 0.00 1.62 0.00 0.00 0.71 0.00 0.00 52.55 54.88 1j83 s ASP 1107Cb 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1j83 s ASP 1107CO 0.00 -0.92 0.06 0.35 0.21 0.00 0.00 175.17 174.87 1j83 n THR 1108N -2.13 0.00 -4.17 -1.27 -2.24 -0.53 -4.87 114.28 99.08 1j83 n THR 1108Ca 0.07 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 1j83 n THR 1108Cb 0.54 1.27 -0.13 0.00 -2.10 0.00 0.00 70.33 69.91 1j83 n THR 1108CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1j83 s LYS 1109N -0.18 0.62 -0.26 -0.78 1.02 -0.49 -1.66 119.74 118.00 1j83 s LYS 1109Ca 0.00 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 55.40 1j83 s LYS 1109Cb 0.00 -0.51 0.07 0.00 -0.52 0.00 0.00 37.83 36.86 1j83 s LYS 1109CO 0.00 0.12 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.32 1j83 s LEU 1110N -1.08 3.22 0.49 3.17 2.96 0.13 -0.88 118.68 126.68 1j83 s LEU 1110Ca -0.04 -1.43 0.05 0.00 -0.22 0.00 0.00 54.13 52.49 1j83 s LEU 1110Cb -0.07 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 1j83 s LEU 1110CO 0.01 -0.25 0.17 -0.89 -1.32 0.00 0.00 176.35 174.07 1j83 s THR 1111N 1.22 1.68 -0.05 3.68 2.01 0.02 -0.32 115.64 123.88 1j83 s THR 1111Ca -0.04 -1.77 0.04 0.00 0.31 0.00 0.00 61.69 60.23 1j83 s THR 1111Cb -0.19 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 1j83 s THR 1111CO -0.07 0.00 -0.17 -1.81 -0.69 0.00 0.00 174.62 171.88 1j83 s ASP 1113N -3.99 3.75 -0.18 3.53 1.01 0.27 -0.95 116.67 120.11 1j83 s ASP 1113Ca 0.26 -0.29 -0.01 0.00 0.71 0.00 0.00 52.55 53.22 1j83 s ASP 1113Cb 0.02 -0.82 0.00 0.00 1.01 0.00 0.00 42.92 43.13 1j83 s ASP 1113CO 0.15 0.31 -0.13 -0.69 0.21 0.00 0.00 175.17 175.02 1j83 s VAL 1114N -0.55 2.75 0.08 -1.27 1.01 0.18 -1.31 120.40 121.29 1j83 s VAL 1114Ca 0.08 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1j83 s VAL 1114Cb -0.11 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1j83 s VAL 1114CO 0.01 0.49 -0.27 -0.63 0.00 0.00 0.00 175.10 174.71 1j83 s ILE 1115N 1.13 2.18 0.14 2.22 1.09 0.11 -1.19 121.20 126.88 1j83 s ILE 1115Ca 0.01 -1.55 -0.21 0.00 -1.10 0.00 0.00 60.65 57.80 1j83 s ILE 1115Cb -0.14 -1.89 0.06 0.00 -1.06 0.00 0.00 42.46 39.42 1j83 s ILE 1115CO -0.04 0.24 0.53 0.00 -0.10 0.00 0.00 174.94 175.56 1j83 s ALA 1116N -0.92 -1.37 -0.39 9.38 0.00 -0.54 -0.50 121.76 127.42 1j83 s ALA 1116Ca 0.13 0.33 0.25 0.00 0.00 0.00 0.00 51.96 52.67 1j83 s ALA 1116Cb -0.10 0.79 1.04 0.00 0.00 0.00 0.00 23.12 24.85 1j83 s ALA 1116CO 0.04 -0.71 1.76 -1.00 0.00 0.00 0.00 175.76 175.85 1j83 h PRO 1117N 2.17 0.00 -3.64 0.00 0.13 -1.86 0.13 132.00 128.93 1j83 h PRO 1117Ca -0.34 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1j83 h PRO 1117Cb 1.29 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.29 1j83 h PRO 1117CO 0.41 0.00 -0.19 -0.08 -0.23 0.00 0.00 178.00 177.91 1j83 s THR 1118N -3.37 0.07 0.39 1.56 -1.32 -1.26 -4.55 115.64 107.16 1j83 s THR 1118Ca 0.04 -1.07 -0.28 0.00 -1.21 0.00 0.00 61.69 59.17 1j83 s THR 1118Cb 0.09 -1.60 -0.11 0.00 -1.51 0.00 0.00 72.50 69.38 1j83 s THR 1118CO 0.43 -0.30 1.47 -2.65 -2.21 0.00 0.00 174.62 171.36 1j83 n PRO 1119N -0.23 2.60 -4.25 7.08 -0.02 -1.26 -4.79 135.00 134.13 1j83 n PRO 1119Ca -0.10 0.91 -0.16 0.00 -2.02 0.00 0.00 63.50 62.13 1j83 n PRO 1119Cb 0.63 -2.65 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 1j83 n PRO 1119CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1j83 s VAL 1120N -1.13 0.03 -0.15 -1.45 -7.23 -1.26 -4.89 120.40 104.31 1j83 s VAL 1120Ca 0.54 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1j83 s VAL 1120Cb -0.48 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 1j83 s VAL 1120CO 0.63 0.00 -0.08 0.20 -0.31 0.00 0.00 175.10 175.54 1j83 s ASN 1121N -3.28 4.34 -0.01 4.85 0.01 -1.26 -2.41 114.94 117.18 1j83 s ASN 1121Ca 0.40 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.29 1j83 s ASN 1121Cb 0.05 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 40.01 1j83 s ASN 1121CO 0.20 0.14 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.20 1j83 s VAL 1122N 0.53 0.32 -0.07 1.60 1.01 -0.20 -2.57 120.40 121.02 1j83 s VAL 1122Ca -0.06 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1j83 s VAL 1122Cb -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1j83 s VAL 1122CO 0.03 0.10 -0.19 -0.55 0.00 0.00 0.00 175.10 174.49 1j83 s SER 1123N 0.04 2.48 -0.01 3.32 0.15 0.48 -0.92 113.70 119.22 1j83 s SER 1123Ca 0.00 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1j83 s SER 1123Cb -0.03 -0.95 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 1j83 s SER 1123CO -0.00 0.14 0.01 -0.63 1.20 0.00 0.00 173.24 173.95 1j83 s ILE 1124N 0.27 0.05 0.08 6.45 1.01 -0.09 -0.97 121.20 128.00 1j83 s ILE 1124Ca -0.12 0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.71 1j83 s ILE 1124Cb -0.15 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1j83 s ILE 1124CO 0.05 0.07 -0.25 0.00 0.00 0.00 0.00 174.94 174.81 1j83 s ALA 1125N 0.60 2.16 0.06 9.38 0.00 -0.72 -0.59 121.76 132.65 1j83 s ALA 1125Ca -0.05 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.63 1j83 s ALA 1125Cb -0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1j83 s ALA 1125CO -0.01 0.49 -0.09 0.00 0.00 0.00 0.00 175.76 176.15 1j83 s ALA 1126N -0.94 0.77 -0.41 0.00 0.00 -1.26 -0.53 121.76 119.39 1j83 s ALA 1126Ca 0.11 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1j83 s ALA 1126Cb -0.10 0.03 0.14 0.00 0.00 0.00 0.00 23.12 23.19 1j83 s ALA 1126CO 0.04 -0.01 0.24 0.42 0.00 0.00 0.00 175.76 176.45 1j83 s ILE 1127N -1.65 0.84 0.60 0.00 1.01 0.30 -4.72 121.20 117.57 1j83 s ILE 1127Ca -0.05 -2.24 -0.18 0.00 0.00 0.00 0.00 60.65 58.18 1j83 s ILE 1127Cb -0.08 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1j83 s ILE 1127CO 0.00 -0.96 1.17 -2.84 0.00 0.00 0.00 174.94 172.31 1j83 s PRO 1128N 0.60 2.98 0.09 2.79 0.02 -1.26 -1.86 135.00 138.35 1j83 s PRO 1128Ca 0.19 1.68 0.06 0.00 0.02 0.00 0.00 61.00 62.94 1j83 s PRO 1128Cb -0.21 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 1j83 s PRO 1128CO -0.01 -1.16 -0.15 -0.65 -0.33 0.00 0.00 177.00 174.70 1j83 s GLN 1129N -3.50 0.89 0.32 5.54 -0.21 0.20 -4.60 119.66 118.30 1j83 s GLN 1129Ca 0.74 -1.04 0.04 0.00 0.02 0.00 0.00 55.36 55.12 1j83 s GLN 1129Cb -0.27 -0.89 -0.03 0.00 1.00 0.00 0.00 33.01 32.82 1j83 s GLN 1129CO 0.34 0.19 0.18 -1.54 -2.12 0.00 0.00 175.29 172.34 1j83 s SER 1130N -1.93 1.62 0.20 5.90 1.04 -0.55 -0.15 113.70 119.83 1j83 s SER 1130Ca 0.01 -1.61 -0.11 0.00 0.48 0.00 0.00 55.95 54.73 1j83 s SER 1130Cb -0.09 0.44 0.22 0.00 0.10 0.00 0.00 66.02 66.69 1j83 s SER 1130CO 0.03 -0.93 1.78 -1.28 0.98 0.00 0.00 173.24 173.81 1j83 h SER 1131N 2.17 0.38 -0.02 7.02 0.87 -1.94 -2.98 113.55 119.05 1j83 h SER 1131Ca -0.32 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1j83 h SER 1131Cb 1.25 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1j83 h SER 1131CO 0.49 0.24 -0.32 0.35 -0.53 0.00 0.00 176.83 177.06 1j83 n THR 1132N -4.89 0.00 -3.71 2.23 -2.24 -1.26 -4.71 114.28 99.70 1j83 n THR 1132Ca 0.07 -0.34 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 1j83 n THR 1132Cb 0.19 1.31 -0.12 0.00 -2.10 0.00 0.00 70.33 69.61 1j83 n THR 1132CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1j83 s HIS 1133N -2.21 2.25 -0.68 4.78 3.76 -1.13 -4.98 115.29 117.09 1j83 s HIS 1133Ca 0.20 -2.65 0.25 0.00 -0.15 0.00 0.00 55.06 52.71 1j83 s HIS 1133Cb 0.18 -1.96 0.54 0.00 1.11 0.00 0.00 32.58 32.45 1j83 s HIS 1133CO 0.46 -0.74 1.52 0.41 -0.85 0.00 0.00 174.74 175.55 1j83 n GLY 1134N 3.06 -1.55 3.55 -2.22 0.00 -1.25 -1.49 105.19 105.29 1j83 n GLY 1134Ca 0.14 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1j83 n GLY 1134CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1j83 s TRP 1135N -3.14 -0.57 -0.29 1.61 -0.11 -1.26 -4.89 118.94 110.29 1j83 s TRP 1135Ca 0.08 1.03 -0.15 0.00 1.22 0.00 0.00 56.10 58.28 1j83 s TRP 1135Cb 0.13 0.41 0.11 0.00 -1.50 0.00 0.00 33.47 32.62 1j83 s TRP 1135CO 0.67 -0.50 0.77 0.20 -4.62 0.00 0.00 176.95 173.46 1j83 s GLY 1136N -1.03 -0.48 0.03 5.86 0.00 -1.26 -4.83 107.32 105.61 1j83 s GLY 1136Ca -0.07 2.62 -0.30 0.00 0.00 0.00 0.00 44.72 46.97 1j83 s GLY 1136CO 0.06 2.66 1.49 -1.31 0.00 0.00 0.00 173.10 176.01 1j83 s ASN 1137N 1.91 6.75 0.46 1.64 0.01 -1.26 -4.59 114.94 119.87 1j83 s ASN 1137Ca -0.08 2.27 -0.25 0.00 -0.71 0.00 0.00 52.86 54.09 1j83 s ASN 1137Cb -0.06 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 38.96 1j83 s ASN 1137CO -0.18 -0.78 1.43 -2.84 -1.51 0.00 0.00 177.10 173.21 1j83 s PRO 1138N 2.39 3.61 0.13 -0.60 0.02 -1.26 -4.36 135.00 134.93 1j83 s PRO 1138Ca 0.68 2.42 0.02 0.00 0.02 0.00 0.00 61.00 64.13 1j83 s PRO 1138Cb -0.35 -2.61 -0.13 0.00 0.02 0.00 0.00 34.50 31.43 1j83 s PRO 1138CO 0.29 -0.88 1.29 1.79 -0.33 0.00 0.00 177.00 179.16 1j83 h THR 1139N 2.20 1.55 -2.24 0.99 1.35 -1.50 -3.48 112.91 111.77 1j83 h THR 1139Ca -0.51 -2.93 0.05 0.00 -0.55 0.00 0.00 66.41 62.47 1j83 h THR 1139Cb 1.27 2.69 -0.17 0.00 -1.73 0.00 0.00 68.15 70.22 1j83 h THR 1139CO 0.61 0.85 0.40 0.00 -0.25 0.00 0.00 175.52 177.13 1j83 s ARG 1140N -2.94 0.90 0.23 4.72 1.70 -1.17 -4.82 118.95 117.57 1j83 s ARG 1140Ca -0.02 -0.16 -0.06 0.00 -0.47 0.00 0.00 55.73 55.01 1j83 s ARG 1140Cb 0.09 0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.83 1j83 s ARG 1140CO 0.84 -0.36 0.50 0.00 -1.08 0.00 0.00 175.30 175.20 1j83 s ALA 1141N -2.57 3.65 -0.11 7.88 0.00 -0.12 -4.76 121.76 125.73 1j83 s ALA 1141Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 1j83 s ALA 1141Cb -0.01 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1j83 s ALA 1141CO -0.05 0.46 0.02 0.42 0.00 0.00 0.00 175.76 176.61 1j83 s ILE 1142N -1.87 4.50 0.08 0.00 -1.09 0.24 -4.67 121.20 118.39 1j83 s ILE 1142Ca 0.44 -0.17 0.09 0.00 -2.23 0.00 0.00 60.65 58.79 1j83 s ILE 1142Cb -0.11 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 1j83 s ILE 1142CO 0.25 0.57 -0.22 -0.13 -1.23 0.00 0.00 174.94 174.19 1j83 s ARG 1143N -0.57 1.80 -0.07 2.79 3.00 -1.26 -0.91 118.95 123.73 1j83 s ARG 1143Ca 0.10 -1.13 0.05 0.00 0.00 0.00 0.00 55.73 54.75 1j83 s ARG 1143Cb -0.12 -2.06 -0.00 0.00 0.00 0.00 0.00 34.95 32.76 1j83 s ARG 1143CO 0.02 0.50 -0.22 0.14 0.00 0.00 0.00 175.30 175.74 1j83 s VAL 1144N -0.98 1.87 0.44 3.52 -7.23 -0.10 -5.00 120.40 112.93 1j83 s VAL 1144Ca 0.15 -0.95 0.07 0.00 -1.81 0.00 0.00 61.98 59.44 1j83 s VAL 1144Cb -0.10 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1j83 s VAL 1144CO 0.06 0.52 0.35 0.26 -0.31 0.00 0.00 175.10 175.98 1j83 s TRP 1145N 0.06 2.46 0.36 2.82 0.52 -1.26 -1.03 118.94 122.86 1j83 s TRP 1145Ca -0.08 -0.58 0.12 0.00 0.02 0.00 0.00 56.10 55.58 1j83 s TRP 1145Cb -0.15 -2.08 0.93 0.00 -1.15 0.00 0.00 33.47 31.02 1j83 s TRP 1145CO 0.05 -0.15 1.80 1.79 0.02 0.00 0.00 176.95 180.46 1j83 h THR 1146N 1.04 0.65 0.00 2.01 1.35 -1.82 0.15 112.91 116.29 1j83 h THR 1146Ca -0.41 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1j83 h THR 1146Cb 1.27 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1j83 h THR 1146CO 0.60 0.10 0.00 -0.46 -0.25 0.00 0.00 175.52 175.51 1j83 n ASN 1147N -4.66 0.00 0.00 5.36 0.23 -1.26 -2.50 115.26 112.44 1j83 n ASN 1147Ca 0.23 0.25 0.11 0.00 -0.53 0.00 0.00 54.58 54.64 1j83 n ASN 1147Cb 0.68 -0.38 0.10 0.00 -2.08 0.00 0.00 39.78 38.10 1j83 n ASN 1147CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1j83 n ASN 1148N -1.38 0.68 -4.74 0.53 3.02 0.51 -4.93 115.26 108.95 1j83 n ASN 1148Ca 0.06 -0.49 -0.40 0.00 -0.03 0.00 0.00 54.58 53.72 1j83 n ASN 1148Cb 0.16 0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 39.84 1j83 n ASN 1148CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1j83 s PHE 1149N -3.03 3.73 -0.13 3.10 0.40 -1.04 -4.52 117.98 116.49 1j83 s PHE 1149Ca 0.09 1.47 -0.03 0.00 -0.60 0.00 0.00 56.93 57.85 1j83 s PHE 1149Cb 0.17 -2.82 -0.03 0.00 0.51 0.00 0.00 43.02 40.84 1j83 s PHE 1149CO 0.77 0.26 -0.02 0.08 0.70 0.00 0.00 175.22 177.01 1j83 s VAL 1150N 0.00 4.08 0.18 -0.44 1.01 0.42 -4.83 120.40 120.83 1j83 s VAL 1150Ca 0.39 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 1j83 s VAL 1150Cb -0.20 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 1j83 s VAL 1150CO 0.23 0.53 1.42 0.00 0.00 0.00 0.00 175.10 177.27 1j83 s ALA 1151N -0.04 3.62 0.34 5.51 0.00 -1.26 -1.21 121.76 128.73 1j83 s ALA 1151Ca 0.02 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.28 1j83 s ALA 1151Cb -0.13 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1j83 s ALA 1151CO 0.02 -0.66 0.41 -0.65 0.00 0.00 0.00 175.76 174.88 1j83 s GLN 1152N 0.43 2.95 0.56 0.00 -1.52 0.64 -4.94 119.66 117.77 1j83 s GLN 1152Ca 0.62 -1.14 0.27 0.00 -1.95 0.00 0.00 55.36 53.16 1j83 s GLN 1152Cb -0.40 -2.68 1.48 0.00 -0.22 0.00 0.00 33.01 31.19 1j83 s GLN 1152CO 0.36 0.05 2.00 1.79 -0.25 0.00 0.00 175.29 179.23 1j83 h THR 1153N 1.01 0.57 -0.19 -0.19 1.35 -1.95 0.03 112.91 113.54 1j83 h THR 1153Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1j83 h THR 1153Cb 1.26 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1j83 h THR 1153CO 0.54 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.91 1j83 n ASP 1154N -4.07 1.46 0.00 5.36 5.75 -1.26 -4.91 116.55 118.89 1j83 n ASP 1154Ca 0.07 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1j83 n ASP 1154Cb 0.55 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1j83 n ASP 1154CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j83 n GLY 1155N 1.04 2.51 3.94 6.12 0.00 -0.00 -5.04 105.19 113.76 1j83 n GLY 1155Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1j83 n GLY 1155CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j83 s THR 1156N -2.24 2.01 0.07 2.61 -4.23 -1.26 -4.71 115.64 107.88 1j83 s THR 1156Ca 0.00 -0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1j83 s THR 1156Cb 0.00 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 1j83 s THR 1156CO 0.00 0.00 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.58 1j83 s TYR 1157N -3.86 1.68 0.01 3.99 1.51 0.46 -0.26 117.35 120.88 1j83 s TYR 1157Ca 0.74 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.41 1j83 s TYR 1157Cb -0.04 -0.97 -0.01 0.00 -0.11 0.00 0.00 41.96 40.84 1j83 s TYR 1157CO 0.53 0.12 -0.03 0.21 -1.11 0.00 0.00 175.55 175.28 1j83 s LYS 1158N -1.48 0.21 0.05 -0.62 2.20 -0.35 -1.47 119.74 118.29 1j83 s LYS 1158Ca 0.06 -0.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.48 1j83 s LYS 1158Cb -0.09 -0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.09 1j83 s LYS 1158CO 0.03 0.02 -0.08 0.00 -0.36 0.00 0.00 175.35 174.96 1j83 s ALA 1159N -0.39 0.71 -0.20 3.13 0.00 -0.33 -0.44 121.76 124.24 1j83 s ALA 1159Ca -0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 1j83 s ALA 1159Cb -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1j83 s ALA 1159CO -0.00 -0.03 0.12 0.99 0.00 0.00 0.00 175.76 176.84 1j83 s THR 1160N -1.68 5.29 -0.12 0.00 2.01 -1.26 -0.65 115.64 119.22 1j83 s THR 1160Ca -0.06 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1j83 s THR 1160Cb -0.08 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 1j83 s THR 1160CO -0.00 0.44 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.94 1j83 s LEU 1161N 0.36 2.23 -0.08 4.42 0.20 -1.26 -4.99 118.68 119.56 1j83 s LEU 1161Ca 0.07 -0.53 0.03 0.00 0.69 0.00 0.00 54.13 54.39 1j83 s LEU 1161Cb -0.11 -1.46 0.01 0.00 -0.43 0.00 0.00 46.19 44.19 1j83 s LEU 1161CO -0.02 0.14 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.13 1j83 s THR 1162N 0.50 1.44 -0.18 3.68 2.01 -1.26 -4.37 115.64 117.46 1j83 s THR 1162Ca -0.14 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1j83 s THR 1162Cb -0.17 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1j83 s THR 1162CO 0.05 0.42 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.69 1j83 s ILE 1163N 0.61 3.18 0.44 1.82 1.01 0.56 -4.94 121.20 123.89 1j83 s ILE 1163Ca -0.15 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 59.99 1j83 s ILE 1163Cb -0.16 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1j83 s ILE 1163CO 0.05 0.48 0.60 -0.94 0.00 0.00 0.00 174.94 175.12 1j83 s SER 1164N 0.92 5.60 0.00 3.58 1.04 -1.26 0.17 113.70 123.74 1j83 s SER 1164Ca -0.02 -0.38 0.09 0.00 0.48 0.00 0.00 55.95 56.12 1j83 s SER 1164Cb -0.15 -0.66 0.38 0.00 0.10 0.00 0.00 66.02 65.69 1j83 s SER 1164CO 0.00 -0.82 1.27 0.35 0.98 0.00 0.00 173.24 175.02 1j83 n THR 1165N -1.92 1.35 1.01 2.02 -2.24 -0.67 -0.75 114.28 113.09 1j83 n THR 1165Ca 0.08 0.34 0.13 0.00 -2.27 0.00 0.00 64.05 62.33 1j83 n THR 1165Cb 0.59 -1.19 0.38 0.00 -2.10 0.00 0.00 70.33 68.01 1j83 n THR 1165CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1j83 n ASN 1166N -1.48 0.35 -0.00 3.42 3.02 -1.26 -3.74 115.26 115.56 1j83 n ASN 1166Ca 0.02 -0.03 0.08 0.00 -0.03 0.00 0.00 54.58 54.62 1j83 n ASN 1166Cb 0.10 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 1j83 n ASN 1166CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1j83 n ASP 1167N -1.47 0.91 -3.56 6.41 8.00 0.07 -4.87 116.55 122.04 1j83 n ASP 1167Ca 0.06 -0.61 -0.29 0.00 0.71 0.00 0.00 54.79 54.67 1j83 n ASP 1167Cb 0.34 1.22 -0.15 0.00 -0.02 0.00 0.00 41.12 42.51 1j83 n ASP 1167CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1j83 s SER 1168N -2.90 3.36 0.27 -2.24 0.15 -1.16 -1.23 113.70 109.96 1j83 s SER 1168Ca 0.02 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1j83 s SER 1168Cb 0.11 -0.34 0.61 0.00 -1.71 0.00 0.00 66.02 64.70 1j83 s SER 1168CO 0.65 -0.42 1.71 -0.65 1.20 0.00 0.00 173.24 175.72 1j83 h PRO 1169N 8.40 0.39 0.00 5.44 0.11 -1.77 -0.27 132.00 144.31 1j83 h PRO 1169Ca -0.19 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.80 1j83 h PRO 1169Cb 1.03 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1j83 h PRO 1169CO 0.42 0.26 -0.47 -0.97 -0.21 0.00 0.00 178.00 177.03 1j83 h ASN 1170N 0.41 0.00 -0.22 -2.05 -1.24 -1.88 0.22 115.58 110.82 1j83 h ASN 1170Ca 0.50 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.49 1j83 h ASN 1170Cb 0.88 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.92 1j83 h ASN 1170CO -0.49 0.47 0.06 0.15 -1.29 0.00 0.00 177.43 176.32 1j83 h PHE 1171N 0.00 0.36 -0.64 0.67 3.57 -1.33 -1.24 116.94 118.33 1j83 h PHE 1171Ca -0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1j83 h PHE 1171Cb 0.85 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1j83 h PHE 1171CO 0.00 0.45 0.36 -0.97 -2.23 0.00 0.00 178.31 175.92 1j83 h ASN 1172N 0.17 0.79 -0.29 0.41 -1.24 -0.90 -0.63 115.58 113.89 1j83 h ASN 1172Ca 0.07 -0.08 0.01 0.00 0.71 0.00 0.00 56.30 57.01 1j83 h ASN 1172Cb 0.26 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 1j83 h ASN 1172CO 0.00 0.65 0.16 0.74 -1.29 0.00 0.00 177.43 177.69 1j83 h THR 1173N 0.87 1.02 -0.26 -3.57 2.02 -0.69 -2.02 112.91 110.28 1j83 h THR 1173Ca 0.23 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 1j83 h THR 1173Cb 0.02 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1j83 h THR 1173CO -0.04 0.06 -0.09 0.40 0.37 0.00 0.00 175.52 176.22 1j83 h ILE 1174N 0.34 1.29 0.00 3.11 2.04 -1.07 -2.63 117.51 120.59 1j83 h ILE 1174Ca 0.12 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1j83 h ILE 1174Cb 0.01 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1j83 h ILE 1174CO -0.06 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.45 1j83 h ALA 1175N 0.75 1.00 -0.14 1.87 0.00 -0.94 -2.70 119.26 119.10 1j83 h ALA 1175Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j83 h ALA 1175Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1j83 h ALA 1175CO 0.03 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.53 1j83 n THR 1176N -2.97 0.40 -3.31 0.00 -2.24 -0.78 -1.13 114.28 104.25 1j83 n THR 1176Ca -0.02 -0.70 -0.46 0.00 -2.27 0.00 0.00 64.05 60.61 1j83 n THR 1176Cb 0.14 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1j83 n THR 1176CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1j83 s ASP 1177N -0.94 6.23 0.56 3.42 -1.08 -1.00 -4.92 116.67 118.94 1j83 s ASP 1177Ca 0.17 -1.85 0.24 0.00 -0.52 0.00 0.00 52.55 50.59 1j83 s ASP 1177Cb 0.10 -2.21 1.54 0.00 -1.46 0.00 0.00 42.92 40.89 1j83 s ASP 1177CO 0.14 -0.85 2.16 0.00 0.52 0.00 0.00 175.17 177.14 1j83 h ALA 1178N 8.82 1.86 0.00 3.66 0.00 -1.90 -1.57 119.26 130.13 1j83 h ALA 1178Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1j83 h ALA 1178Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1j83 h ALA 1178CO 1.02 -0.13 -0.17 0.00 0.00 0.00 0.00 179.25 179.97 1j83 h ALA 1179N 1.92 0.91 -1.01 0.00 0.00 -1.96 -3.41 119.26 115.72 1j83 h ALA 1179Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1j83 h ALA 1179Cb 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.83 1j83 h ALA 1179CO -0.00 0.00 -0.51 -3.47 0.00 0.00 0.00 179.25 175.27 1j83 n ASP 1180N -2.74 -3.30 -1.20 0.00 2.03 -0.64 -4.99 116.55 105.71 1j83 n ASP 1180Ca 0.04 -2.92 0.01 0.00 0.52 0.00 0.00 54.79 52.45 1j83 n ASP 1180Cb 0.50 1.66 0.25 0.00 -0.72 0.00 0.00 41.12 42.80 1j83 n ASP 1180CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1j83 n SER 1181N 2.87 3.63 -4.42 1.67 3.41 -0.91 -4.66 113.62 115.20 1j83 n SER 1181Ca 0.18 -3.30 -0.39 0.00 -0.26 0.00 0.00 58.87 55.10 1j83 n SER 1181Cb 0.56 -0.62 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 1j83 n SER 1181CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1j83 s VAL 1182N -3.00 4.55 0.02 -3.33 1.01 -1.26 -0.73 120.40 117.65 1j83 s VAL 1182Ca 0.46 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1j83 s VAL 1182Cb 0.38 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1j83 s VAL 1182CO 0.07 -0.01 1.21 -0.69 0.00 0.00 0.00 175.10 175.68 1j83 s VAL 1183N 1.59 4.09 -0.07 2.92 1.01 0.13 -4.27 120.40 125.80 1j83 s VAL 1183Ca 0.04 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.50 1j83 s VAL 1183Cb -0.18 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1j83 s VAL 1183CO 0.06 0.08 0.38 0.35 0.00 0.00 0.00 175.10 175.96 1j83 n THR 1184N 4.16 0.00 -2.99 3.92 -2.24 0.79 -1.98 114.28 115.95 1j83 n THR 1184Ca 0.10 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1j83 n THR 1184Cb 0.46 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1j83 n THR 1184CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j83 n ASN 1185N -0.27 0.00 -3.71 3.42 2.85 -1.18 -4.70 115.26 111.67 1j83 n ASN 1185Ca 0.00 -0.39 -0.12 0.00 -0.11 0.00 0.00 54.58 53.97 1j83 n ASN 1185Cb 0.02 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 40.91 1j83 n ASN 1185CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1j83 s ILE 1187N -2.40 -0.03 -0.07 -1.44 1.01 -0.78 -0.63 121.20 116.86 1j83 s ILE 1187Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1j83 s ILE 1187Cb 0.00 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 1j83 s ILE 1187CO 0.00 0.05 -0.23 -0.76 0.00 0.00 0.00 174.94 174.00 1j83 s LEU 1188N 1.32 2.20 -0.26 2.97 1.43 0.99 -0.54 118.68 126.79 1j83 s LEU 1188Ca -0.09 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1j83 s LEU 1188Cb -0.09 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1j83 s LEU 1188CO -0.10 0.24 0.13 -0.36 0.23 0.00 0.00 176.35 176.48 1j83 s PHE 1189N -0.11 3.18 -0.12 0.29 0.40 0.31 -0.47 117.98 121.46 1j83 s PHE 1189Ca -0.05 -0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1j83 s PHE 1189Cb -0.14 -2.29 0.01 0.00 0.51 0.00 0.00 43.02 41.11 1j83 s PHE 1189CO 0.04 -0.20 -0.17 0.08 0.70 0.00 0.00 175.22 175.67 1j83 s VAL 1190N 1.55 1.65 0.05 -0.44 1.01 -0.87 -1.75 120.40 121.59 1j83 s VAL 1190Ca 0.06 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1j83 s VAL 1190Cb -0.15 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1j83 s VAL 1190CO 0.07 0.47 -0.14 -0.83 0.00 0.00 0.00 175.10 174.67 1j83 s GLY 1191N 0.92 0.80 0.08 4.51 0.00 -0.15 -3.79 107.32 109.68 1j83 s GLY 1191Ca -0.07 -0.87 -0.26 0.00 0.00 0.00 0.00 44.72 43.52 1j83 s GLY 1191CO -0.01 -0.87 0.71 -0.45 0.00 0.00 0.00 173.10 172.48 1j83 s SER 1192N -1.34 -0.51 0.00 1.64 0.15 -0.73 -0.39 113.70 112.51 1j83 s SER 1192Ca -0.00 0.10 0.28 0.00 0.70 0.00 0.00 55.95 57.03 1j83 s SER 1192Cb -0.09 0.52 0.97 0.00 -1.71 0.00 0.00 66.02 65.71 1j83 s SER 1192CO 0.02 -0.80 1.70 -0.46 1.20 0.00 0.00 173.24 174.89 1j83 n ASN 1193N -0.15 1.63 -4.61 5.45 6.94 -1.06 -3.72 115.26 119.75 1j83 n ASN 1193Ca -0.15 -1.54 -0.31 0.00 -0.02 0.00 0.00 54.58 52.56 1j83 n ASN 1193Cb 0.63 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.95 1j83 n ASN 1193CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1j83 s SER 1194N -2.01 4.63 0.00 0.53 0.15 -1.26 -4.74 113.70 111.01 1j83 s SER 1194Ca 0.37 -0.21 0.16 0.00 0.70 0.00 0.00 55.95 56.97 1j83 s SER 1194Cb 0.21 -1.04 0.48 0.00 -1.71 0.00 0.00 66.02 63.97 1j83 s SER 1194CO 0.33 0.24 1.38 0.47 1.20 0.00 0.00 173.24 176.87 1j83 n ASP 1195N 1.20 2.16 -3.30 5.45 8.00 -1.26 -3.45 116.55 125.35 1j83 n ASP 1195Ca -0.14 -1.92 -0.08 0.00 0.71 0.00 0.00 54.79 53.36 1j83 n ASP 1195Cb 0.52 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 1j83 n ASP 1195CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1j83 s ASN 1196N -1.20 0.22 0.11 -2.24 2.47 -1.26 -0.78 114.94 112.26 1j83 s ASN 1196Ca 0.30 -0.20 -0.00 0.00 0.42 0.00 0.00 52.86 53.37 1j83 s ASN 1196Cb 0.16 1.18 -0.04 0.00 -1.45 0.00 0.00 41.25 41.10 1j83 s ASN 1196CO 0.22 -0.34 0.01 0.27 -3.72 0.00 0.00 177.10 173.54 1j83 s ILE 1197N 2.57 0.25 0.03 -5.21 -4.36 -1.10 -4.48 121.20 108.90 1j83 s ILE 1197Ca 0.11 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 1j83 s ILE 1197Cb -0.13 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.71 1j83 s ILE 1197CO -0.27 -0.68 -0.05 -0.44 0.24 0.00 0.00 174.94 173.74 1j83 s SER 1198N -3.02 0.51 0.05 4.36 0.01 0.34 -0.59 113.70 115.36 1j83 s SER 1198Ca 0.17 -0.54 0.08 0.00 1.31 0.00 0.00 55.95 56.97 1j83 s SER 1198Cb 0.07 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 1j83 s SER 1198CO -0.02 -0.27 -0.21 -0.76 0.41 0.00 0.00 173.24 172.39 1j83 s LEU 1199N -1.56 2.47 0.10 2.44 1.43 0.02 0.04 118.68 123.62 1j83 s LEU 1199Ca -0.13 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 1j83 s LEU 1199Cb -0.09 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.71 1j83 s LEU 1199CO -0.01 0.25 0.32 -0.62 0.23 0.00 0.00 176.35 176.52 1j83 s ASP 1200N -1.42 -0.10 -1.31 2.29 2.15 -0.43 -1.07 116.67 116.78 1j83 s ASP 1200Ca 0.14 -0.41 -0.06 0.00 0.43 0.00 0.00 52.55 52.65 1j83 s ASP 1200Cb -0.10 0.41 -0.00 0.00 -0.30 0.00 0.00 42.92 42.93 1j83 s ASP 1200CO 0.04 -0.78 0.59 0.59 -0.17 0.00 0.00 175.17 175.44 1j83 n ASN 1201N -0.06 -1.88 -4.63 -0.34 3.02 -0.86 -0.57 115.26 109.95 1j83 n ASN 1201Ca -0.16 -0.97 -0.43 0.00 -0.03 0.00 0.00 54.58 52.99 1j83 n ASN 1201Cb 0.63 -3.39 -0.02 0.00 -0.61 0.00 0.00 39.78 36.39 1j83 n ASN 1201CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j83 s ILE 1202N -3.76 4.40 0.07 2.41 1.01 -0.52 -4.32 121.20 120.48 1j83 s ILE 1202Ca 0.13 1.58 -0.08 0.00 0.00 0.00 0.00 60.65 62.28 1j83 s ILE 1202Cb -0.05 -4.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.01 1j83 s ILE 1202CO 0.86 -0.57 0.17 -1.59 0.00 0.00 0.00 174.94 173.81 1j83 s LYS 1203N 3.87 0.77 -0.14 2.79 -2.85 -0.13 -1.62 119.74 122.44 1j83 s LYS 1203Ca 0.48 -0.86 -0.08 0.00 -1.00 0.00 0.00 55.97 54.51 1j83 s LYS 1203Cb -0.12 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 1j83 s LYS 1203CO 0.19 -0.23 0.13 -0.06 0.10 0.00 0.00 175.35 175.48 1j83 s PHE 1204N -3.39 3.52 0.35 1.78 0.40 -1.26 -0.80 117.98 118.58 1j83 s PHE 1204Ca 0.01 0.45 -0.02 0.00 -0.60 0.00 0.00 56.93 56.77 1j83 s PHE 1204Cb 0.03 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.57 1j83 s PHE 1204CO -0.08 0.59 0.47 0.95 0.70 0.00 0.00 175.22 177.85 1j83 s THR 1205N -0.63 0.00 -2.28 0.64 -4.23 -0.06 -5.00 115.64 104.09 1j83 s THR 1205Ca 0.13 -1.62 0.18 0.00 -1.18 0.00 0.00 61.69 59.20 1j83 s THR 1205Cb -0.12 -2.64 0.14 0.00 1.34 0.00 0.00 72.50 71.23 1j83 s THR 1205CO 0.02 0.00 1.08 0.29 -0.54 0.00 0.00 174.62 175.47