#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mc2 h LEU 1002N 0.00 0.00 -0.15 1.04 3.38 -1.41 -1.90 115.31 116.27 1mc2 h LEU 1002Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1mc2 h LEU 1002Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1mc2 h LEU 1002CO 0.00 0.00 -0.01 -0.26 0.09 0.00 0.00 178.44 178.26 1mc2 h PHE 1003N 0.00 0.30 -0.56 1.13 -1.00 -1.94 -0.08 116.94 114.77 1mc2 h PHE 1003Ca 0.17 -0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 1mc2 h PHE 1003Cb 0.70 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 1mc2 h PHE 1003CO 0.00 0.51 0.15 0.93 -1.61 0.00 0.00 178.31 178.29 1mc2 h GLU 1004N -0.00 0.89 -0.21 1.51 3.07 -1.82 -2.05 114.58 115.97 1mc2 h GLU 1004Ca 0.04 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1mc2 h GLU 1004Cb 0.40 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1mc2 h GLU 1004CO 0.01 0.82 0.12 1.25 -1.40 0.00 0.00 179.01 179.82 1mc2 h LEU 1005N 0.80 0.25 -0.85 1.33 5.85 -1.30 -0.64 115.31 120.75 1mc2 h LEU 1005Ca 0.18 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1mc2 h LEU 1005Cb 0.32 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1mc2 h LEU 1005CO -0.00 0.24 0.51 1.23 -0.34 0.00 0.00 178.44 180.07 1mc2 h GLY 1006N 0.25 1.25 0.99 3.75 0.00 -0.97 -0.81 103.07 107.52 1mc2 h GLY 1006Ca 0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1mc2 h GLY 1006CO -0.01 0.51 0.28 1.70 0.00 0.00 0.00 176.54 179.01 1mc2 h LYS 1007N 1.18 0.86 -0.63 4.80 3.64 -0.97 -0.88 116.57 124.56 1mc2 h LYS 1007Ca 0.31 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1mc2 h LYS 1007Cb -0.03 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1mc2 h LYS 1007CO -0.06 0.71 0.41 0.52 -2.27 0.00 0.00 179.45 178.76 1mc2 h MET 1008N 0.81 0.84 -0.44 1.90 2.86 -0.72 0.82 114.93 121.00 1mc2 h MET 1008Ca 0.20 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1mc2 h MET 1008Cb 0.14 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1mc2 h MET 1008CO -0.02 0.56 0.28 0.82 1.06 0.00 0.00 176.91 179.61 1mc2 h ILE 1009N 0.86 1.12 -0.50 -1.22 2.04 -0.84 -0.25 117.51 118.71 1mc2 h ILE 1009Ca 0.23 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1mc2 h ILE 1009Cb -0.09 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1mc2 h ILE 1009CO -0.05 0.12 0.25 -0.25 0.00 0.00 0.00 178.15 178.22 1mc2 h TRP 1010N 0.59 0.71 -0.66 1.37 2.91 -0.83 0.09 115.95 120.14 1mc2 h TRP 1010Ca 0.16 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 1mc2 h TRP 1010Cb -0.05 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.35 1mc2 h TRP 1010CO -0.04 0.55 0.41 1.96 -1.03 0.00 0.00 178.44 180.30 1mc2 h GLN 1011N 0.67 0.89 0.08 2.65 4.20 -0.56 0.12 115.11 123.15 1mc2 h GLN 1011Ca 0.17 -0.07 -0.26 0.00 0.06 0.00 0.00 58.65 58.55 1mc2 h GLN 1011Cb 0.10 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.70 1mc2 h GLN 1011CO -0.02 0.62 -1.13 0.93 -0.67 0.00 0.00 178.83 178.56 1mc2 h GLU 1012N 0.90 0.43 0.00 1.46 4.39 -0.89 -3.39 114.58 117.47 1mc2 h GLU 1012Ca 0.24 -0.56 -0.05 0.00 0.34 0.00 0.00 59.36 59.33 1mc2 h GLU 1012Cb -0.05 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1mc2 h GLU 1012CO -0.05 1.22 -1.64 0.25 -1.16 0.00 0.00 179.01 177.63 1mc2 n THR 1013N -3.69 0.17 -0.89 1.13 -2.24 0.01 -4.77 114.28 104.00 1mc2 n THR 1013Ca -0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1mc2 n THR 1013Cb 0.94 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1mc2 n THR 1013CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mc2 n GLY 1014N 1.87 0.59 3.85 3.38 0.00 0.40 -5.02 105.19 110.27 1mc2 n GLY 1014Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1mc2 n GLY 1014CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mc2 s LYS 1015N -0.39 3.81 0.10 1.61 1.02 -1.26 -5.02 119.74 119.60 1mc2 s LYS 1015Ca 0.00 0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.96 1mc2 s LYS 1015Cb 0.00 -3.18 -0.10 0.00 -0.52 0.00 0.00 37.83 34.04 1mc2 s LYS 1015CO 0.00 0.68 1.83 1.21 -0.92 0.00 0.00 175.35 178.15 1mc2 s ASN 1016N -1.20 6.45 0.12 2.83 3.84 -1.26 -4.19 114.94 121.53 1mc2 s ASN 1016Ca 0.24 2.70 -0.14 0.00 0.21 0.00 0.00 52.86 55.87 1mc2 s ASN 1016Cb -0.15 -2.56 -0.05 0.00 -0.55 0.00 0.00 41.25 37.94 1mc2 s ASN 1016CO 0.13 -1.00 1.49 -0.65 -2.79 0.00 0.00 177.10 174.29 1mc2 h PRO 1017N 8.89 0.74 -0.32 0.43 0.11 -1.93 -2.06 132.00 137.85 1mc2 h PRO 1017Ca -0.46 -0.32 -0.13 0.00 0.11 0.00 0.00 66.00 65.20 1mc2 h PRO 1017Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1mc2 h PRO 1017CO 0.94 0.93 -0.31 0.28 -0.21 0.00 0.00 178.00 179.63 1mc2 h VAL 1018N 0.53 1.29 -0.29 3.15 2.07 -1.92 0.15 116.25 121.23 1mc2 h VAL 1018Ca 0.08 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.16 1mc2 h VAL 1018Cb 0.69 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1mc2 h VAL 1018CO 0.05 0.48 0.07 0.50 0.02 0.00 0.00 177.57 178.69 1mc2 h LYS 1019N 0.55 0.17 0.00 1.57 3.64 -1.97 -0.45 116.57 120.09 1mc2 h LYS 1019Ca 0.05 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 1mc2 h LYS 1019Cb 0.89 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 1mc2 h LYS 1019CO 0.08 0.11 -1.34 -0.91 -2.27 0.00 0.00 179.45 175.12 1mc2 h ASN 1020N 0.18 0.00 0.00 4.20 4.21 -1.21 -3.40 115.58 119.55 1mc2 h ASN 1020Ca 0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1mc2 h ASN 1020Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1mc2 h ASN 1020CO -0.17 0.82 0.00 -1.22 -1.29 0.00 0.00 177.43 175.57 1mc2 n TYR 1022N -3.08 0.00 0.24 1.19 4.02 0.51 -4.55 117.16 115.49 1mc2 n TYR 1022Ca -0.09 -0.11 0.14 0.00 -0.01 0.00 0.00 57.90 57.82 1mc2 n TYR 1022Cb 0.93 -0.01 0.41 0.00 -0.02 0.00 0.00 39.34 40.65 1mc2 n TYR 1022CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1mc2 h GLY 1023N 0.00 0.00 -1.01 2.72 0.00 -0.98 -3.02 103.07 100.77 1mc2 h GLY 1023Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mc2 h GLY 1023CO 0.00 0.00 -0.38 1.47 0.00 0.00 0.00 176.54 177.63 1mc2 n LEU 1024N -3.12 0.00 -4.74 3.11 -0.00 -1.24 -1.27 117.00 109.76 1mc2 n LEU 1024Ca 0.02 -1.01 -0.41 0.00 -0.00 0.00 0.00 56.01 54.62 1mc2 n LEU 1024Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.81 1mc2 n LEU 1024CO 0.31 0.44 0.79 -0.47 -0.00 0.00 0.00 177.39 178.46 1mc2 s TYR 1025N 0.00 3.60 0.00 1.47 6.14 -1.06 -2.09 117.35 125.40 1mc2 s TYR 1025Ca 0.00 1.60 0.00 0.00 0.64 0.00 0.00 57.07 59.31 1mc2 s TYR 1025Cb 0.00 -3.27 0.00 0.00 0.42 0.00 0.00 41.96 39.11 1mc2 s TYR 1025CO -0.00 -0.59 0.00 0.41 0.64 0.00 0.00 175.55 176.01 1mc2 n GLY 1026N 2.12 0.97 0.28 8.97 0.00 -0.27 -1.74 105.19 115.52 1mc2 n GLY 1026Ca 0.03 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.49 1mc2 n GLY 1026CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mc2 n ASN 1028N -0.61 1.17 -4.71 0.00 3.02 -1.24 -3.48 115.26 109.41 1mc2 n ASN 1028Ca 0.10 -0.09 -0.39 0.00 -0.03 0.00 0.00 54.58 54.17 1mc2 n ASN 1028Cb 0.38 0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 39.91 1mc2 n ASN 1028CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mc2 n GLY 1030N 3.24 0.45 3.74 0.00 0.00 -1.14 -3.21 105.19 108.27 1mc2 n GLY 1030Ca -0.04 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1mc2 n GLY 1030CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mc2 s VAL 1031N 0.00 2.24 0.00 1.61 -7.23 -0.39 -4.80 120.40 111.83 1mc2 s VAL 1031Ca 0.00 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1mc2 s VAL 1031Cb 0.00 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1mc2 s VAL 1031CO 0.00 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1mc2 n GLY 1032N 0.75 -2.35 0.00 2.32 0.00 -1.26 -4.92 105.19 99.73 1mc2 n GLY 1032Ca 0.14 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1mc2 n GLY 1032CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc2 n GLY 1033N -0.13 3.07 3.76 -0.02 0.00 -1.26 -5.01 105.19 105.60 1mc2 n GLY 1033Ca 0.00 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 1mc2 n GLY 1033CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mc2 s ARG 1034N 4.48 2.72 0.24 1.61 0.52 -1.26 -4.37 118.95 122.89 1mc2 s ARG 1034Ca 0.00 -1.04 -0.22 0.00 -0.52 0.00 0.00 55.73 53.96 1mc2 s ARG 1034Cb 0.00 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 33.02 1mc2 s ARG 1034CO 0.00 0.44 0.87 0.20 0.02 0.00 0.00 175.30 176.83 1mc2 s GLY 1035N -3.32 -0.02 0.11 -3.53 0.00 -1.23 -4.76 107.32 94.57 1mc2 s GLY 1035Ca 0.31 -0.24 -0.32 0.00 0.00 0.00 0.00 44.72 44.46 1mc2 s GLY 1035CO 0.22 0.29 1.78 1.18 0.00 0.00 0.00 173.10 176.58 1mc2 n GLU 1036N -0.52 2.58 -2.31 2.90 1.02 0.23 -4.76 120.64 119.78 1mc2 n GLU 1036Ca -0.05 0.94 -0.35 0.00 -0.02 0.00 0.00 57.16 57.67 1mc2 n GLU 1036Cb 0.60 -2.80 -0.01 0.00 -0.02 0.00 0.00 31.44 29.21 1mc2 n GLU 1036CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1mc2 s PRO 1037N 2.40 3.52 0.17 3.49 0.02 -1.26 -4.72 135.00 138.62 1mc2 s PRO 1037Ca 0.82 1.60 0.17 0.00 0.02 0.00 0.00 61.00 63.60 1mc2 s PRO 1037Cb -0.55 -2.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.84 1mc2 s PRO 1037CO 0.39 -0.71 1.12 -0.07 -0.33 0.00 0.00 177.00 177.40 1mc2 h LEU 1038N 1.44 0.00 0.00 -5.54 3.38 -1.90 -3.48 115.31 109.21 1mc2 h LEU 1038Ca -0.50 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.57 1mc2 h LEU 1038Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1mc2 h LEU 1038CO 0.58 0.48 0.34 -0.90 0.09 0.00 0.00 178.44 179.02 1mc2 n ASP 1039N -3.01 -0.90 -0.13 -0.43 5.75 -1.26 -5.02 116.55 111.55 1mc2 n ASP 1039Ca -0.04 -1.45 -0.11 0.00 -0.01 0.00 0.00 54.79 53.19 1mc2 n ASP 1039Cb 0.76 1.46 -0.02 0.00 -1.03 0.00 0.00 41.12 42.30 1mc2 n ASP 1039CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mc2 h ALA 1040N 2.00 0.50 -0.55 2.12 0.00 -1.95 -0.59 119.26 120.80 1mc2 h ALA 1040Ca -0.14 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.59 1mc2 h ALA 1040Cb 0.64 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1mc2 h ALA 1040CO 0.19 0.28 0.20 1.15 0.00 0.00 0.00 179.25 181.07 1mc2 h THR 1041N 0.48 0.80 -0.40 0.00 2.02 -1.90 -1.44 112.91 112.46 1mc2 h THR 1041Ca 0.10 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1mc2 h THR 1041Cb 0.48 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1mc2 h THR 1041CO 0.02 0.07 -0.07 -0.78 0.37 0.00 0.00 175.52 175.13 1mc2 h ASP 1042N 0.37 0.66 -0.96 4.18 3.58 -1.84 -1.77 116.42 120.64 1mc2 h ASP 1042Ca 0.27 -0.17 0.01 0.00 0.42 0.00 0.00 57.03 57.56 1mc2 h ASP 1042Cb 0.31 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 1mc2 h ASP 1042CO -0.28 0.77 0.62 -0.09 -2.88 0.00 0.00 179.24 177.39 1mc2 h ARG 1043N 0.63 1.27 -0.66 0.28 2.43 -0.60 -0.69 114.38 117.05 1mc2 h ARG 1043Ca 0.12 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1mc2 h ARG 1043Cb 0.49 -0.28 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 1mc2 h ARG 1043CO 0.03 0.85 0.28 0.00 -1.51 0.00 0.00 179.97 179.62 1mc2 h PHE 1046N 0.66 -0.37 -0.91 0.00 3.57 -0.52 -1.71 116.94 117.67 1mc2 h PHE 1046Ca 0.10 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1mc2 h PHE 1046Cb 0.67 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 1mc2 h PHE 1046CO 0.03 -0.21 0.57 0.28 -2.23 0.00 0.00 178.31 176.76 1mc2 h VAL 1047N -0.42 1.06 -0.38 1.41 2.07 -0.98 -1.05 116.25 117.96 1mc2 h VAL 1047Ca -0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1mc2 h VAL 1047Cb 0.32 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1mc2 h VAL 1047CO 0.07 0.19 0.12 -0.74 0.02 0.00 0.00 177.57 177.23 1mc2 h HIS 1048N 1.04 0.60 -0.60 1.57 -0.00 -1.07 0.11 115.15 116.81 1mc2 h HIS 1048Ca 0.39 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.64 1mc2 h HIS 1048Cb 0.16 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 1mc2 h HIS 1048CO -0.02 0.57 0.12 0.87 -0.00 0.00 0.00 177.93 179.47 1mc2 h LYS 1049N 0.46 0.94 -0.67 5.26 1.57 -0.98 -1.76 116.57 121.40 1mc2 h LYS 1049Ca 0.12 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1mc2 h LYS 1049Cb 0.24 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1mc2 h LYS 1049CO -0.01 0.86 0.37 0.00 -0.57 0.00 0.00 179.45 180.10 1mc2 h TYR 1052N 1.36 0.00 0.00 0.00 0.05 -1.04 -2.89 116.97 114.45 1mc2 h TYR 1052Ca 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.14 1mc2 h TYR 1052Cb -0.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 1mc2 h TYR 1052CO -0.00 0.00 -0.03 0.87 -1.05 0.00 0.00 178.16 177.95 1mc2 h LYS 1053N 0.00 0.00 0.00 4.88 1.57 -1.17 -1.89 116.57 119.96 1mc2 h LYS 1053Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mc2 h LYS 1053Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1mc2 h LYS 1053CO 0.00 0.03 0.00 0.36 -0.57 0.00 0.00 179.45 179.27 1mc2 n LYS 1057N -3.96 0.27 -2.75 3.15 2.85 -1.09 -4.59 118.16 112.04 1mc2 n LYS 1057Ca -0.03 0.08 -0.43 0.00 -1.05 0.00 0.00 58.31 56.88 1mc2 n LYS 1057Cb 0.12 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.98 1mc2 n LYS 1057CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1mc2 s LEU 1058N -2.64 4.32 0.24 -5.58 1.43 -0.71 -4.74 118.68 111.00 1mc2 s LEU 1058Ca 0.20 -2.09 0.23 0.00 -1.03 0.00 0.00 54.13 51.44 1mc2 s LEU 1058Cb 0.15 -2.49 0.11 0.00 0.03 0.00 0.00 46.19 43.99 1mc2 s LEU 1058CO 0.36 -1.18 1.19 0.71 0.23 0.00 0.00 176.35 177.67 1mc2 h THR 1059N 5.90 0.00 -0.07 5.49 1.35 -1.87 -3.37 112.91 120.33 1mc2 h THR 1059Ca 0.25 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1mc2 h THR 1059Cb 0.96 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1mc2 h THR 1059CO 1.30 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 177.04 1mc2 n ASP 1060N -2.70 2.63 -3.71 5.36 8.00 -1.26 -5.04 116.55 119.83 1mc2 n ASP 1060Ca 0.01 -2.80 -0.07 0.00 0.71 0.00 0.00 54.79 52.64 1mc2 n ASP 1060Cb 0.53 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 1mc2 n ASP 1060CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mc2 s ASP 1067N -2.84 4.64 0.56 0.00 -1.08 -1.26 -4.90 116.67 111.78 1mc2 s ASP 1067Ca 0.09 -1.15 0.29 0.00 -0.52 0.00 0.00 52.55 51.26 1mc2 s ASP 1067Cb -0.03 -1.68 1.65 0.00 -1.46 0.00 0.00 42.92 41.41 1mc2 s ASP 1067CO -0.00 -0.21 2.16 0.77 0.52 0.00 0.00 175.17 178.42 1mc2 h SER 1068N 7.98 0.00 0.18 -0.34 4.64 -1.93 -1.46 113.55 122.63 1mc2 h SER 1068Ca -0.25 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.76 1mc2 h SER 1068Cb 1.07 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1mc2 h SER 1068CO 0.54 0.06 -1.52 0.50 -0.87 0.00 0.00 176.83 175.54 1mc2 h LYS 1069N 0.00 0.39 0.00 4.77 3.64 -1.94 -3.32 116.57 120.11 1mc2 h LYS 1069Ca -0.00 -0.67 -0.27 0.00 -1.27 0.00 0.00 60.65 58.44 1mc2 h LYS 1069Cb 0.18 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1mc2 h LYS 1069CO 0.01 1.32 -2.03 1.63 -2.27 0.00 0.00 179.45 178.11 1mc2 n LYS 1070N -3.75 1.31 -2.81 1.90 5.02 -1.11 -1.62 118.16 117.10 1mc2 n LYS 1070Ca -0.22 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.68 1mc2 n LYS 1070Cb 1.02 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.62 1mc2 n LYS 1070CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1mc2 s ASP 1071N -5.07 7.21 0.42 4.39 -0.00 -0.57 -4.75 116.67 118.30 1mc2 s ASP 1071Ca -0.12 1.46 -0.17 0.00 -0.00 0.00 0.00 52.55 53.73 1mc2 s ASP 1071Cb 0.05 -2.51 -0.09 0.00 -0.00 0.00 0.00 42.92 40.36 1mc2 s ASP 1071CO 0.56 -0.27 0.87 -0.13 -0.00 0.00 0.00 175.17 176.21 1mc2 s ARG 1072N 1.23 4.04 0.14 8.23 1.81 -1.26 -0.34 118.95 132.80 1mc2 s ARG 1072Ca 0.46 0.86 -0.08 0.00 -1.72 0.00 0.00 55.73 55.26 1mc2 s ARG 1072Cb -0.19 -2.27 -0.01 0.00 -0.45 0.00 0.00 34.95 32.03 1mc2 s ARG 1072CO 0.22 -0.04 0.23 1.52 -0.68 0.00 0.00 175.30 176.55 1mc2 s TYR 1073N -2.26 0.42 -0.13 -0.53 -0.85 -1.26 -4.86 117.35 107.87 1mc2 s TYR 1073Ca 0.58 -0.80 -0.13 0.00 -0.52 0.00 0.00 57.07 56.20 1mc2 s TYR 1073Cb -0.10 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.07 1mc2 s TYR 1073CO 0.21 -0.65 0.29 0.45 -1.52 0.00 0.00 175.55 174.34 1mc2 s SER 1074N -2.96 6.49 0.18 -0.18 0.15 -1.26 -4.98 113.70 111.15 1mc2 s SER 1074Ca 0.15 0.58 -0.13 0.00 0.70 0.00 0.00 55.95 57.25 1mc2 s SER 1074Cb 0.04 -2.18 0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1mc2 s SER 1074CO -0.02 0.18 0.41 -0.72 1.20 0.00 0.00 173.24 174.29 1mc2 s TYR 1075N -0.01 0.13 0.03 3.44 -0.85 -1.26 -0.82 117.35 118.02 1mc2 s TYR 1075Ca 0.17 -0.49 0.08 0.00 -0.52 0.00 0.00 57.07 56.32 1mc2 s TYR 1075Cb -0.13 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.37 1mc2 s TYR 1075CO 0.05 -0.83 -0.23 0.15 -1.52 0.00 0.00 175.55 173.18 1mc2 s LYS 1076N -3.92 1.61 -0.39 -3.49 -0.14 -0.41 -4.90 119.74 108.09 1mc2 s LYS 1076Ca 0.13 -0.95 -0.11 0.00 -1.36 0.00 0.00 55.97 53.69 1mc2 s LYS 1076Cb 0.01 -1.69 0.04 0.00 -1.68 0.00 0.00 37.83 34.51 1mc2 s LYS 1076CO -0.01 0.44 0.22 -0.46 -0.76 0.00 0.00 175.35 174.78 1mc2 s TRP 1077N -0.73 3.27 -0.15 3.18 -0.11 -1.26 -0.99 118.94 122.15 1mc2 s TRP 1077Ca 0.09 -1.12 -0.08 0.00 1.22 0.00 0.00 56.10 56.21 1mc2 s TRP 1077Cb -0.09 -2.58 0.05 0.00 -1.50 0.00 0.00 33.47 29.36 1mc2 s TRP 1077CO 0.01 -0.71 0.35 0.21 -4.62 0.00 0.00 176.95 172.19 1mc2 s LYS 1078N 1.52 0.31 -1.52 5.86 2.20 -0.33 -4.88 119.74 122.91 1mc2 s LYS 1078Ca 0.02 0.70 -0.13 0.00 -0.36 0.00 0.00 55.97 56.19 1mc2 s LYS 1078Cb -0.20 -0.05 0.08 0.00 -1.51 0.00 0.00 37.83 36.14 1mc2 s LYS 1078CO 0.05 -0.17 1.01 0.09 -0.36 0.00 0.00 175.35 175.98 1mc2 n ASN 1079N 4.30 -4.96 -1.54 1.43 3.02 -1.26 -1.36 115.26 114.89 1mc2 n ASN 1079Ca -0.23 -0.76 -0.18 0.00 -0.03 0.00 0.00 54.58 53.38 1mc2 n ASN 1079Cb 0.54 -4.00 -0.06 0.00 -0.61 0.00 0.00 39.78 35.66 1mc2 n ASN 1079CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mc2 n LYS 1080N -4.72 -1.27 -4.56 3.52 4.76 -1.26 -4.98 118.16 109.64 1mc2 n LYS 1080Ca 0.04 1.04 -0.26 0.00 -2.87 0.00 0.00 58.31 56.26 1mc2 n LYS 1080Cb 0.53 -5.35 -0.14 0.00 -1.84 0.00 0.00 35.03 28.23 1mc2 n LYS 1080CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mc2 s ALA 1081N -2.72 1.82 -0.23 7.82 0.00 -0.46 -5.11 121.76 122.88 1mc2 s ALA 1081Ca 0.00 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 1mc2 s ALA 1081Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1mc2 s ALA 1081CO 0.00 0.40 0.39 0.42 0.00 0.00 0.00 175.76 176.97 1mc2 s ILE 1082N -0.90 5.19 -0.26 0.00 1.01 -1.26 -1.18 121.20 123.80 1mc2 s ILE 1082Ca 0.08 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.41 1mc2 s ILE 1082Cb -0.09 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.72 1mc2 s ILE 1082CO 0.03 0.22 -0.09 -0.69 0.00 0.00 0.00 174.94 174.40 1mc2 s VAL 1083N 1.60 2.02 0.21 2.92 1.01 -0.16 -4.99 120.40 123.00 1mc2 s VAL 1083Ca 0.17 -1.57 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 1mc2 s VAL 1083Cb -0.15 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 1mc2 s VAL 1083CO 0.08 -0.07 1.35 0.00 0.00 0.00 0.00 175.10 176.46 1mc2 n GLY 1086N 2.32 0.48 3.46 0.00 0.00 0.00 -4.93 105.19 106.53 1mc2 n GLY 1086Ca 0.06 -1.72 -0.44 0.00 0.00 0.00 0.00 46.02 43.92 1mc2 n GLY 1086CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mc2 s LYS 1087N 1.10 4.04 0.24 1.61 1.02 -1.26 -4.95 119.74 121.55 1mc2 s LYS 1087Ca 0.00 -2.52 0.07 0.00 0.02 0.00 0.00 55.97 53.54 1mc2 s LYS 1087Cb 0.00 -5.03 -0.04 0.00 -0.52 0.00 0.00 37.83 32.24 1mc2 s LYS 1087CO 0.00 -1.75 0.16 -0.80 -0.92 0.00 0.00 175.35 172.05 1mc2 s ASN 1088N 2.86 5.40 0.75 2.83 -0.87 -1.26 -4.95 114.94 119.70 1mc2 s ASN 1088Ca 0.41 -0.29 -0.12 0.00 -1.57 0.00 0.00 52.86 51.29 1mc2 s ASN 1088Cb -0.03 -1.34 0.05 0.00 -0.02 0.00 0.00 41.25 39.91 1mc2 s ASN 1088CO -0.01 -0.02 1.12 -1.10 -2.57 0.00 0.00 177.10 174.52 1mc2 s GLN 1089N -3.73 2.23 0.17 -0.60 -1.52 -1.26 -4.68 119.66 110.26 1mc2 s GLN 1089Ca 0.32 1.36 -0.15 0.00 -1.95 0.00 0.00 55.36 54.95 1mc2 s GLN 1089Cb -0.08 -1.88 0.12 0.00 -0.22 0.00 0.00 33.01 30.95 1mc2 s GLN 1089CO 0.24 -1.69 1.73 -1.35 -0.25 0.00 0.00 175.29 173.97 1mc2 h PRO 1090N -0.78 0.23 -0.45 2.91 0.11 -1.99 0.22 132.00 132.25 1mc2 h PRO 1090Ca -0.45 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1mc2 h PRO 1090Cb 1.25 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1mc2 h PRO 1090CO 0.51 0.15 -0.11 0.00 -0.21 0.00 0.00 178.00 178.34 1mc2 h MET 1092N 0.73 0.53 -0.52 0.00 2.86 -1.73 -1.09 114.93 115.71 1mc2 h MET 1092Ca 0.12 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 1mc2 h MET 1092Cb 0.60 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1mc2 h MET 1092CO 0.04 0.71 -0.09 0.37 1.06 0.00 0.00 176.91 179.00 1mc2 h GLN 1093N 0.47 0.98 -0.53 1.72 5.75 -0.62 -0.32 115.11 122.56 1mc2 h GLN 1093Ca 0.07 -0.36 0.05 0.00 -0.15 0.00 0.00 58.65 58.26 1mc2 h GLN 1093Cb 0.63 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.07 1mc2 h GLN 1093CO 0.04 1.03 0.27 0.93 -2.65 0.00 0.00 178.83 178.45 1mc2 h GLU 1094N 0.85 0.50 -0.19 1.69 5.08 -0.92 -0.24 114.58 121.35 1mc2 h GLU 1094Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1mc2 h GLU 1094Cb 0.65 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1mc2 h GLU 1094CO 0.04 0.33 0.12 1.98 -1.00 0.00 0.00 179.01 180.49 1mc2 h MET 1095N 0.52 0.25 -0.56 2.33 4.05 -0.86 -0.49 114.93 120.16 1mc2 h MET 1095Ca 0.23 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.71 1mc2 h MET 1095Cb 0.15 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 30.83 1mc2 h MET 1095CO -0.17 0.17 0.25 0.00 0.23 0.00 0.00 176.91 177.40 1mc2 h GLU 1097N 0.47 0.26 -0.39 0.00 4.39 -0.76 0.87 114.58 119.42 1mc2 h GLU 1097Ca 0.27 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1mc2 h GLU 1097Cb 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1mc2 h GLU 1097CO -0.23 0.66 0.22 0.00 -1.16 0.00 0.00 179.01 178.51 1mc2 h ASP 1099N 0.50 0.61 -0.09 0.00 3.32 -0.77 -2.30 116.42 117.69 1mc2 h ASP 1099Ca 0.14 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.96 1mc2 h ASP 1099Cb 0.04 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1mc2 h ASP 1099CO -0.02 0.70 -0.07 0.50 -1.72 0.00 0.00 179.24 178.63 1mc2 h LYS 1100N 0.49 -0.07 -0.94 3.56 3.64 -0.81 -0.76 116.57 121.68 1mc2 h LYS 1100Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1mc2 h LYS 1100Cb 0.34 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1mc2 h LYS 1100CO 0.00 -0.05 0.60 0.00 -2.27 0.00 0.00 179.45 177.74 1mc2 h ALA 1101N 1.00 1.29 -0.22 5.00 0.00 -1.35 -1.87 119.26 123.10 1mc2 h ALA 1101Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1mc2 h ALA 1101Cb 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1mc2 h ALA 1101CO -0.13 0.64 0.07 0.35 0.00 0.00 0.00 179.25 180.18 1mc2 h PHE 1102N 1.28 0.36 -0.72 0.00 3.57 -1.05 -0.33 116.94 120.05 1mc2 h PHE 1102Ca 0.34 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1mc2 h PHE 1102Cb -0.11 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1mc2 h PHE 1102CO 0.00 0.42 0.44 0.00 -2.23 0.00 0.00 178.31 176.94 1mc2 h ALA 1103N 0.90 0.92 -0.41 2.41 0.00 -0.82 -0.16 119.26 122.11 1mc2 h ALA 1103Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mc2 h ALA 1103Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1mc2 h ALA 1103CO -0.00 0.39 0.24 0.82 0.00 0.00 0.00 179.25 180.70 1mc2 h ILE 1104N 0.99 1.13 -0.55 0.00 2.04 -1.22 -1.95 117.51 117.95 1mc2 h ILE 1104Ca 0.26 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1mc2 h ILE 1104Cb -0.04 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1mc2 h ILE 1104CO -0.05 0.13 0.29 0.00 0.00 0.00 0.00 178.15 178.52 1mc2 h LEU 1106N 0.55 0.73 -0.48 0.00 3.38 -0.85 -2.38 115.31 116.26 1mc2 h LEU 1106Ca 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1mc2 h LEU 1106Cb 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1mc2 h LEU 1106CO -0.17 0.58 0.30 -0.09 0.09 0.00 0.00 178.44 179.15 1mc2 h ARG 1107N 0.82 0.65 -0.05 1.13 2.43 -0.85 -2.35 114.38 116.16 1mc2 h ARG 1107Ca 0.22 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1mc2 h ARG 1107Cb -0.02 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1mc2 h ARG 1107CO -0.04 0.46 0.07 1.49 -1.51 0.00 0.00 179.97 180.43 1mc2 h GLU 1108N 0.65 0.00 -0.25 0.20 4.57 -0.70 -2.58 114.58 116.47 1mc2 h GLU 1108Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1mc2 h GLU 1108Cb -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1mc2 h GLU 1108CO -0.03 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.89 1mc2 n ASN 1109N -3.73 3.60 0.08 1.04 3.02 -0.91 -4.61 115.26 113.75 1mc2 n ASN 1109Ca -0.02 -2.84 0.08 0.00 -0.03 0.00 0.00 54.58 51.78 1mc2 n ASN 1109Cb 0.16 -0.48 0.54 0.00 -0.61 0.00 0.00 39.78 39.39 1mc2 n ASN 1109CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1mc2 h LEU 1110N 1.69 0.23 0.00 3.41 3.38 -1.18 -1.76 115.31 121.09 1mc2 h LEU 1110Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mc2 h LEU 1110Cb 1.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1mc2 h LEU 1110CO 0.17 0.16 0.00 -0.90 0.09 0.00 0.00 178.44 177.96 1mc2 n ASP 1111N -4.49 0.00 -0.11 -0.43 5.75 -1.26 -2.12 116.55 113.89 1mc2 n ASP 1111Ca 0.03 0.43 0.02 0.00 -0.01 0.00 0.00 54.79 55.26 1mc2 n ASP 1111Cb 0.18 -0.46 0.04 0.00 -1.03 0.00 0.00 41.12 39.85 1mc2 n ASP 1111CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1mc2 n THR 1112N -1.46 1.14 -1.68 2.12 -2.24 -0.67 -5.03 114.28 106.46 1mc2 n THR 1112Ca 0.04 -1.18 -0.45 0.00 -2.27 0.00 0.00 64.05 60.19 1mc2 n THR 1112Cb 0.16 0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1mc2 n THR 1112CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mc2 n TYR 1113N -0.49 2.45 -3.76 4.78 4.19 -0.90 -4.89 117.16 118.53 1mc2 n TYR 1113Ca 0.04 0.03 -0.37 0.00 3.31 0.00 0.00 57.90 60.91 1mc2 n TYR 1113Cb 0.34 -2.65 -0.13 0.00 0.49 0.00 0.00 39.34 37.39 1mc2 n TYR 1113CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1mc2 s ASN 1114N 2.34 5.15 0.43 2.98 3.04 -1.26 -4.98 114.94 122.64 1mc2 s ASN 1114Ca 0.83 -0.83 0.11 0.00 0.04 0.00 0.00 52.86 53.01 1mc2 s ASN 1114Cb -0.60 -1.87 0.96 0.00 -1.54 0.00 0.00 41.25 38.21 1mc2 s ASN 1114CO 0.40 -0.23 2.02 0.50 -3.04 0.00 0.00 177.10 176.76 1mc2 h LYS 1115N 8.22 0.44 0.00 0.43 3.64 -2.02 -0.38 116.57 126.91 1mc2 h LYS 1115Ca -0.29 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1mc2 h LYS 1115Cb 1.11 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1mc2 h LYS 1115CO 0.60 0.29 -0.04 0.77 -2.27 0.00 0.00 179.45 178.80 1mc2 h SER 1116N 0.46 0.00 0.49 4.20 0.02 -1.98 -2.40 113.55 114.33 1mc2 h SER 1116Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1mc2 h SER 1116Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1mc2 h SER 1116CO -0.05 0.04 -0.46 0.49 -1.14 0.00 0.00 176.83 175.71 1mc2 n PHE 1117N -3.46 0.00 -0.16 3.45 3.72 -0.16 -4.45 117.46 116.40 1mc2 n PHE 1117Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 1mc2 n PHE 1117Cb 0.16 -0.24 0.05 0.00 -0.94 0.00 0.00 39.48 38.51 1mc2 n PHE 1117CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1mc2 h ARG 1118N 0.11 0.39 -3.67 -1.08 2.43 -1.35 -0.70 114.38 110.51 1mc2 h ARG 1118Ca 0.00 -0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 58.47 1mc2 h ARG 1118Cb 0.50 -0.09 -0.37 0.00 -0.42 0.00 0.00 29.97 29.59 1mc2 h ARG 1118CO 0.00 0.26 -0.48 0.71 -1.51 0.00 0.00 179.97 178.94 1mc2 s TYR 1119N -6.13 3.38 -0.05 2.20 2.02 -1.26 -2.58 117.35 114.93 1mc2 s TYR 1119Ca -0.13 -2.85 -0.00 0.00 -0.37 0.00 0.00 57.07 53.72 1mc2 s TYR 1119Cb 0.14 -3.07 -0.03 0.00 -0.40 0.00 0.00 41.96 38.60 1mc2 s TYR 1119CO 0.73 -0.83 -0.00 -1.58 -1.57 0.00 0.00 175.55 172.30 1mc2 s HIS 1120N 0.03 3.11 -1.02 2.71 2.46 -0.89 -4.99 115.29 116.70 1mc2 s HIS 1120Ca 0.16 0.14 -0.23 0.00 0.47 0.00 0.00 55.06 55.59 1mc2 s HIS 1120Cb -0.22 -1.74 -0.03 0.00 -0.13 0.00 0.00 32.58 30.46 1mc2 s HIS 1120CO -0.03 0.45 1.84 -0.51 -2.47 0.00 0.00 174.74 174.03 1mc2 s LEU 1121N -1.14 3.25 0.40 8.88 1.43 -1.26 -4.87 118.68 125.37 1mc2 s LEU 1121Ca 0.16 -1.17 0.08 0.00 -1.03 0.00 0.00 54.13 52.17 1mc2 s LEU 1121Cb -0.11 -2.57 0.86 0.00 0.03 0.00 0.00 46.19 44.39 1mc2 s LEU 1121CO 0.05 -2.50 2.02 0.11 0.23 0.00 0.00 176.35 176.26 1mc2 h LYS 1122N 10.40 0.57 0.00 1.70 1.57 -1.93 -1.78 116.57 127.10 1mc2 h LYS 1122Ca 0.17 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1mc2 h LYS 1122Cb 0.98 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1mc2 h LYS 1122CO 1.27 0.38 -0.00 -1.35 -0.57 0.00 0.00 179.45 179.17 1mc2 h PRO 1123N 0.59 0.00 0.00 3.15 0.11 -1.98 -0.96 132.00 132.91 1mc2 h PRO 1123Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1mc2 h PRO 1123Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1mc2 h PRO 1123CO -0.06 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.60 1mc2 n SER 1124N -3.13 0.00 -4.79 -2.05 3.41 -0.67 -4.86 113.62 101.53 1mc2 n SER 1124Ca -0.02 0.22 -0.33 0.00 -0.26 0.00 0.00 58.87 58.47 1mc2 n SER 1124Cb 0.11 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 63.68 1mc2 n SER 1124CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mc2 s LYS 1128N -4.03 3.66 0.24 0.00 -0.14 -1.26 -4.96 119.74 113.25 1mc2 s LYS 1128Ca 0.65 0.07 -0.31 0.00 -1.36 0.00 0.00 55.97 55.02 1mc2 s LYS 1128Cb -0.17 -3.12 -0.12 0.00 -1.68 0.00 0.00 37.83 32.74 1mc2 s LYS 1128CO 0.37 0.67 1.66 0.21 -0.76 0.00 0.00 175.35 177.51 1mc2 s LYS 1129N -1.47 4.13 0.41 1.68 2.20 -1.26 -0.60 119.74 124.82 1mc2 s LYS 1129Ca 0.25 2.59 -0.24 0.00 -0.36 0.00 0.00 55.97 58.21 1mc2 s LYS 1129Cb -0.14 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 1mc2 s LYS 1129CO 0.13 -0.70 1.09 -0.08 -0.36 0.00 0.00 175.35 175.44 1mc2 s THR 1130N 0.68 3.49 -2.89 3.43 -1.32 -1.26 -4.63 115.64 113.15 1mc2 s THR 1130Ca 0.70 1.17 0.24 0.00 -1.21 0.00 0.00 61.69 62.59 1mc2 s THR 1130Cb -0.49 -3.62 0.25 0.00 -1.51 0.00 0.00 72.50 67.14 1mc2 s THR 1130CO 0.39 0.03 1.32 -1.20 -2.21 0.00 0.00 174.62 172.95 1mc2 n SER 1131N -0.08 2.94 -4.66 8.08 7.64 -1.26 -4.97 113.62 121.31 1mc2 n SER 1131Ca 0.05 -1.96 -0.39 0.00 1.01 0.00 0.00 58.87 57.58 1mc2 n SER 1131Cb 0.49 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 1mc2 n SER 1131CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1mc2 s GLU 1132N -1.93 4.17 0.55 1.43 2.12 -1.26 -5.08 118.70 118.70 1mc2 s GLU 1132Ca 0.30 0.31 -0.18 0.00 0.36 0.00 0.00 54.97 55.76 1mc2 s GLU 1132Cb 0.20 -3.56 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1mc2 s GLU 1132CO 0.30 -0.12 1.06 1.14 -0.54 0.00 0.00 175.26 177.11 1mc2 s GLN 1133N 1.55 3.49 0.00 4.30 -2.07 -1.26 -5.17 119.66 120.50 1mc2 s GLN 1133Ca 0.21 1.33 0.18 0.00 -1.82 0.00 0.00 55.36 55.26 1mc2 s GLN 1133Cb -0.15 -2.05 1.10 0.00 -1.09 0.00 0.00 33.01 30.82 1mc2 s GLN 1133CO 0.09 -0.69 1.49 0.00 -1.32 0.00 0.00 175.29 174.86