#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orj n ASN 1003N 0.00 0.00 0.25 2.89 5.15 -1.26 -4.81 115.26 117.48 1orj n ASN 1003Ca 0.00 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.14 1orj n ASN 1003Cb 0.00 0.00 0.59 0.00 -0.53 0.00 0.00 39.78 39.84 1orj n ASN 1003CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1orj h ILE 1004N 0.00 0.00 -0.15 -1.44 2.10 -1.99 -2.68 117.51 113.35 1orj h ILE 1004Ca 0.00 -0.54 0.04 0.00 1.08 0.00 0.00 64.86 65.44 1orj h ILE 1004Cb 0.00 1.51 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 1orj h ILE 1004CO 0.00 0.00 0.20 0.00 -1.08 0.00 0.00 178.15 177.27 1orj h ALA 1005N 2.05 1.70 0.00 0.18 0.00 -1.94 -1.20 119.26 120.05 1orj h ALA 1005Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1orj h ALA 1005Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1orj h ALA 1005CO 0.00 -0.28 0.00 0.93 0.00 0.00 0.00 179.25 179.90 1orj h GLU 1006N 0.00 0.00 -0.90 0.00 4.39 -1.67 0.82 114.58 117.23 1orj h GLU 1006Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1orj h GLU 1006Cb 0.47 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1orj h GLU 1006CO -0.00 0.00 0.56 0.00 -1.16 0.00 0.00 179.01 178.41 1orj h ALA 1007N 2.18 1.14 0.00 3.43 0.00 -1.44 -3.35 119.26 121.21 1orj h ALA 1007Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1orj h ALA 1007Cb 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1orj h ALA 1007CO 0.00 0.58 -1.69 0.66 0.00 0.00 0.00 179.25 178.80 1orj n TYR 1008N -4.41 0.00 -4.47 0.00 4.01 -0.99 -0.16 117.16 111.13 1orj n TYR 1008Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.60 1orj n TYR 1008Cb 0.04 -0.49 -0.10 0.00 -0.31 0.00 0.00 39.34 38.48 1orj n TYR 1008CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1orj s PHE 1009N -2.24 2.18 0.22 -0.72 0.08 0.25 -4.66 117.98 113.08 1orj s PHE 1009Ca -0.08 -0.49 -0.12 0.00 0.12 0.00 0.00 56.93 56.36 1orj s PHE 1009Cb 0.03 -1.11 -0.07 0.00 -0.57 0.00 0.00 43.02 41.30 1orj s PHE 1009CO 0.38 0.54 0.59 1.14 -0.10 0.00 0.00 175.22 177.76 1orj s GLN 1010N -3.60 3.90 0.00 0.44 -2.07 -1.26 -4.32 119.66 112.74 1orj s GLN 1010Ca 0.30 0.42 0.00 0.00 -1.82 0.00 0.00 55.36 54.25 1orj s GLN 1010Cb -0.00 -2.70 0.00 0.00 -1.09 0.00 0.00 33.01 29.22 1orj s GLN 1010CO 0.14 0.34 0.42 -1.71 -1.32 0.00 0.00 175.29 173.16 1orj n ASN 1011N 0.11 0.00 -1.47 12.60 2.85 -1.26 -3.10 115.26 124.99 1orj n ASN 1011Ca -0.01 0.42 -0.07 0.00 -0.11 0.00 0.00 54.58 54.82 1orj n ASN 1011Cb 0.52 -0.03 0.03 0.00 1.24 0.00 0.00 39.78 41.55 1orj n ASN 1011CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1orj n MET 1012N -1.04 1.36 -2.89 1.20 2.81 -1.26 -4.89 117.12 112.40 1orj n MET 1012Ca 0.00 -0.78 -0.40 0.00 -1.81 0.00 0.00 57.70 54.72 1orj n MET 1012Cb 0.00 -1.30 -0.06 0.00 -0.71 0.00 0.00 33.22 31.15 1orj n MET 1012CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1orj s VAL 1013N -0.98 4.33 -0.03 2.03 1.01 -1.18 -4.95 120.40 120.63 1orj s VAL 1013Ca 0.15 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1orj s VAL 1013Cb 0.12 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 1orj s VAL 1013CO 0.01 0.48 0.24 -0.62 0.00 0.00 0.00 175.10 175.22 1orj n GLU 1014N 1.79 3.35 -2.33 2.72 1.02 -1.26 -4.99 120.64 120.93 1orj n GLU 1014Ca -0.04 -0.24 -0.43 0.00 -0.02 0.00 0.00 57.16 56.44 1orj n GLU 1014Cb 0.48 -0.74 -0.02 0.00 -0.02 0.00 0.00 31.44 31.14 1orj n GLU 1014CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1orj s THR 1015N -0.58 4.11 -1.97 2.62 2.01 -1.26 -4.92 115.64 115.64 1orj s THR 1015Ca 0.00 1.33 0.23 0.00 0.31 0.00 0.00 61.69 63.57 1orj s THR 1015Cb 0.00 -3.90 0.04 0.00 0.01 0.00 0.00 72.50 68.66 1orj s THR 1015CO 0.01 -0.16 1.18 0.00 -0.69 0.00 0.00 174.62 174.96 1orj n ALA 1016N 6.90 3.48 -0.11 7.40 0.00 -1.26 -4.49 120.51 132.42 1orj n ALA 1016Ca 0.15 -0.60 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 1orj n ALA 1016Cb 0.45 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 1orj n ALA 1016CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1orj h THR 1017N 2.17 1.10 -0.31 0.00 2.02 -2.00 -1.78 112.91 114.12 1orj h THR 1017Ca 0.00 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1orj h THR 1017Cb 0.70 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1orj h THR 1017CO 0.00 0.10 -0.19 -0.65 0.37 0.00 0.00 175.52 175.14 1orj h PRO 1018N 0.49 0.57 -0.41 6.66 0.11 -2.01 -2.38 132.00 135.02 1orj h PRO 1018Ca 0.13 -0.20 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 1orj h PRO 1018Cb -0.05 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 1orj h PRO 1018CO -0.03 0.73 0.02 1.25 -0.21 0.00 0.00 178.00 179.77 1orj h LEU 1019N 0.51 0.61 -0.94 2.35 5.85 -1.76 -1.98 115.31 119.95 1orj h LEU 1019Ca 0.08 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 1orj h LEU 1019Cb 0.62 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1orj h LEU 1019CO 0.04 0.67 -0.45 -0.33 -0.34 0.00 0.00 178.44 178.03 1orj h GLU 1020N 0.62 0.17 -0.51 1.25 5.08 -1.05 -2.60 114.58 117.54 1orj h GLU 1020Ca 0.13 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1orj h GLU 1020Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1orj h GLU 1020CO 0.01 0.59 -0.14 1.96 -1.00 0.00 0.00 179.01 180.43 1orj h GLN 1021N 0.14 0.99 -0.20 2.33 1.08 -0.87 -1.49 115.11 117.08 1orj h GLN 1021Ca 0.01 -0.39 0.03 0.00 -1.45 0.00 0.00 58.65 56.85 1orj h GLN 1021Cb 0.86 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.21 1orj h GLN 1021CO 0.07 1.06 0.03 0.82 -0.95 0.00 0.00 178.83 179.86 1orj h ILE 1022N 0.85 0.90 -0.40 2.54 1.08 -1.14 -0.97 117.51 120.37 1orj h ILE 1022Ca 0.13 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.54 1orj h ILE 1022Cb 0.71 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1orj h ILE 1022CO 0.05 0.02 0.17 0.40 -0.69 0.00 0.00 178.15 178.10 1orj h ILE 1023N 0.10 1.15 -0.53 -0.67 2.04 -1.35 -1.40 117.51 116.86 1orj h ILE 1023Ca 0.09 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1orj h ILE 1023Cb 0.09 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1orj h ILE 1023CO -0.13 0.18 0.21 -0.07 0.00 0.00 0.00 178.15 178.34 1orj h LEU 1024N 0.56 0.74 -0.35 1.44 -0.00 -0.72 0.16 115.31 117.15 1orj h LEU 1024Ca 0.14 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 1orj h LEU 1024Cb 0.10 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 1orj h LEU 1024CO -0.02 0.71 0.13 -0.07 -0.00 0.00 0.00 178.44 179.20 1orj h LEU 1025N 0.72 0.49 -0.24 1.67 3.38 -0.33 -0.82 115.31 120.19 1orj h LEU 1025Ca 0.18 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1orj h LEU 1025Cb 0.21 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1orj h LEU 1025CO -0.01 0.53 0.01 1.88 0.09 0.00 0.00 178.44 180.94 1orj h TYR 1026N 0.41 0.02 -0.51 1.13 -1.99 -1.06 -1.37 116.97 113.60 1orj h TYR 1026Ca 0.12 0.02 0.10 0.00 2.00 0.00 0.00 58.73 60.96 1orj h TYR 1026Cb 0.20 0.03 -0.10 0.00 2.00 0.00 0.00 36.73 38.86 1orj h TYR 1026CO -0.00 -0.02 -0.19 -0.44 -0.00 0.00 0.00 178.16 177.51 1orj h ASP 1027N 0.09 -0.67 -0.23 3.88 5.19 -0.68 -0.69 116.42 123.31 1orj h ASP 1027Ca 0.11 0.17 -0.12 0.00 -0.62 0.00 0.00 57.03 56.57 1orj h ASP 1027Cb 0.13 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1orj h ASP 1027CO -0.18 -0.22 -0.29 0.50 -3.12 0.00 0.00 179.24 175.92 1orj h LYS 1028N -0.07 0.73 -0.36 3.56 1.63 -0.61 -2.64 116.57 118.80 1orj h LYS 1028Ca 0.24 -0.32 -0.11 0.00 -0.85 0.00 0.00 60.65 59.61 1orj h LYS 1028Cb 0.45 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1orj h LYS 1028CO -0.56 0.93 -0.21 0.00 -3.45 0.00 0.00 179.45 176.16 1orj h ALA 1029N 1.05 0.95 -0.10 5.00 0.00 -0.84 -2.35 119.26 122.97 1orj h ALA 1029Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1orj h ALA 1029Cb 0.81 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1orj h ALA 1029CO 0.07 0.61 -0.17 0.82 0.00 0.00 0.00 179.25 180.58 1orj h ILE 1030N 0.62 1.39 -0.62 0.00 2.04 -0.90 -1.89 117.51 118.14 1orj h ILE 1030Ca 0.09 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.56 1orj h ILE 1030Cb 0.69 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 1orj h ILE 1030CO 0.05 0.41 0.41 -0.08 0.00 0.00 0.00 178.15 178.94 1orj h GLU 1031N -0.15 0.70 0.00 2.37 4.81 -1.52 -0.47 114.58 120.32 1orj h GLU 1031Ca 0.01 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 1orj h GLU 1031Cb 0.74 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1orj h GLU 1031CO 0.04 0.46 -0.83 0.00 -0.73 0.00 0.00 179.01 177.95 1orj h LEU 1033N 0.00 0.97 -0.38 0.00 6.46 -0.92 -2.14 115.31 119.30 1orj h LEU 1033Ca -0.01 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.24 1orj h LEU 1033Cb 1.51 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 1orj h LEU 1033CO 0.11 1.29 0.18 -0.33 -0.62 0.00 0.00 178.44 179.07 1orj h GLU 1034N 0.69 0.55 0.01 1.25 5.08 -1.12 -0.04 114.58 120.99 1orj h GLU 1034Ca 0.03 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1orj h GLU 1034Cb 1.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1orj h GLU 1034CO 0.11 0.49 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.41 1orj h ARG 1035N 0.48 -0.19 -0.39 2.33 9.65 -1.42 0.35 114.38 125.18 1orj h ARG 1035Ca 0.13 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1orj h ARG 1035Cb 0.12 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1orj h ARG 1035CO -0.02 -0.12 0.20 0.00 2.80 0.00 0.00 179.97 182.83 1orj h ALA 1036N 0.76 1.63 -0.31 2.80 0.00 -1.21 -0.87 119.26 122.06 1orj h ALA 1036Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1orj h ALA 1036Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1orj h ALA 1036CO -0.10 0.31 -0.29 0.82 0.00 0.00 0.00 179.25 179.99 1orj h ILE 1037N 0.54 1.30 -0.84 0.00 2.04 -0.49 -1.57 117.51 118.48 1orj h ILE 1037Ca 0.14 -1.46 0.13 0.00 1.00 0.00 0.00 64.86 64.68 1orj h ILE 1037Cb 0.03 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 1orj h ILE 1037CO -0.02 0.47 0.54 -0.08 0.00 0.00 0.00 178.15 179.06 1orj h GLU 1038N 0.50 0.62 -0.24 2.37 4.81 0.39 -1.88 114.58 121.15 1orj h GLU 1038Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1orj h GLU 1038Cb 0.86 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1orj h GLU 1038CO 0.07 0.41 0.00 0.44 -0.73 0.00 0.00 179.01 179.20 1orj n ILE 1039N -4.53 1.99 -0.32 2.32 -5.35 -0.62 -4.66 119.36 108.19 1orj n ILE 1039Ca 0.16 -1.74 0.03 0.00 -0.27 0.00 0.00 62.75 60.93 1orj n ILE 1039Cb 0.45 -0.10 0.17 0.00 -1.74 0.00 0.00 39.64 38.42 1orj n ILE 1039CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1orj h TYR 1040N 1.62 1.01 0.00 4.28 5.03 -0.42 -2.83 116.97 125.67 1orj h TYR 1040Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1orj h TYR 1040Cb 1.25 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 39.21 1orj h TYR 1040CO 0.39 0.47 0.00 -0.25 -1.32 0.00 0.00 178.16 177.45 1orj n ASP 1041N -4.64 0.00 -1.21 -2.11 8.00 -1.26 -3.46 116.55 111.88 1orj n ASP 1041Ca 0.14 0.49 0.02 0.00 0.71 0.00 0.00 54.79 56.15 1orj n ASP 1041Cb 0.23 -0.49 0.26 0.00 -0.02 0.00 0.00 41.12 41.10 1orj n ASP 1041CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1orj n GLN 1042N -1.49 2.85 -0.00 -1.24 6.02 -1.07 -4.66 117.38 117.78 1orj n GLN 1042Ca 0.06 -2.98 0.04 0.00 -0.01 0.00 0.00 57.00 54.11 1orj n GLN 1042Cb 0.28 -1.93 0.25 0.00 1.02 0.00 0.00 30.24 29.87 1orj n GLN 1042CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1orj n VAL 1043N -0.58 0.01 -0.03 5.09 0.24 -1.22 -2.08 118.33 119.76 1orj n VAL 1043Ca 0.29 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.43 1orj n VAL 1043Cb 1.04 -0.12 -0.10 0.00 -1.47 0.00 0.00 33.84 33.20 1orj n VAL 1043CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 1orj h ASN 1044N 0.08 0.31 -0.08 -1.34 -0.00 -1.90 -3.40 115.58 109.25 1orj h ASN 1044Ca 0.00 -0.65 -0.39 0.00 -0.00 0.00 0.00 56.30 55.25 1orj h ASN 1044Cb 0.02 -0.09 -0.10 0.00 -0.00 0.00 0.00 38.32 38.15 1orj h ASN 1044CO 0.00 0.91 1.81 -0.62 -0.00 0.00 0.00 177.43 179.53 1orj n GLU 1045N -4.50 0.07 0.28 6.67 1.02 -0.88 -4.82 120.64 118.48 1orj n GLU 1045Ca -0.08 -0.05 0.16 0.00 -0.02 0.00 0.00 57.16 57.17 1orj n GLU 1045Cb 0.46 -1.43 0.79 0.00 -0.02 0.00 0.00 31.44 31.25 1orj n GLU 1045CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1orj h LEU 1046N 12.35 0.00 0.03 -4.62 5.85 -1.85 0.42 115.31 127.49 1orj h LEU 1046Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1orj h LEU 1046Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1orj h LEU 1046CO 1.49 0.00 -0.01 -0.08 -0.34 0.00 0.00 178.44 179.50 1orj h GLU 1047N 0.00 -0.04 -0.63 1.25 4.57 -1.91 -2.87 114.58 114.95 1orj h GLU 1047Ca 0.04 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1orj h GLU 1047Cb 0.78 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 1orj h GLU 1047CO -0.00 0.65 0.42 0.87 -1.18 0.00 0.00 179.01 179.77 1orj h LYS 1048N -0.83 0.83 -0.48 1.92 1.79 -1.29 -1.42 116.57 117.09 1orj h LYS 1048Ca -0.00 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1orj h LYS 1048Cb 0.71 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.13 1orj h LYS 1048CO 0.01 0.55 0.27 -0.09 -1.08 0.00 0.00 179.45 179.10 1orj h ARG 1049N 0.86 0.51 -0.54 3.15 2.43 -1.07 0.11 114.38 119.83 1orj h ARG 1049Ca 0.23 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1orj h ARG 1049Cb -0.10 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1orj h ARG 1049CO -0.05 0.34 0.02 0.87 -1.51 0.00 0.00 179.97 179.63 1orj h LYS 1050N 0.53 0.94 0.00 0.20 1.57 -1.05 -0.25 116.57 118.51 1orj h LYS 1050Ca 0.20 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1orj h LYS 1050Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1orj h LYS 1050CO -0.11 0.95 -0.20 1.49 -0.57 0.00 0.00 179.45 181.01 1orj h GLU 1051N 0.82 0.00 -0.10 3.15 4.81 -1.05 -1.80 114.58 120.42 1orj h GLU 1051Ca 0.16 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 1orj h GLU 1051Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1orj h GLU 1051CO 0.02 0.20 -0.37 0.35 -0.73 0.00 0.00 179.01 178.49 1orj h PHE 1052N 0.00 0.55 -0.42 0.92 3.57 0.71 -2.06 116.94 120.21 1orj h PHE 1052Ca -0.00 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 1orj h PHE 1052Cb 0.45 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1orj h PHE 1052CO 0.00 0.97 0.08 0.28 -2.23 0.00 0.00 178.31 177.42 1orj h VAL 1053N -0.03 1.20 -0.25 1.41 2.07 -0.94 -1.28 116.25 118.43 1orj h VAL 1053Ca -0.02 -0.72 -0.20 0.00 0.82 0.00 0.00 66.70 66.58 1orj h VAL 1053Cb 1.00 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1orj h VAL 1053CO 0.08 0.26 -0.63 -0.33 0.02 0.00 0.00 177.57 176.97 1orj h GLU 1054N 0.61 0.86 -0.22 1.57 5.08 -1.32 -1.98 114.58 119.19 1orj h GLU 1054Ca 0.14 -0.60 -0.14 0.00 -1.00 0.00 0.00 59.36 57.76 1orj h GLU 1054Cb 0.26 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1orj h GLU 1054CO 0.00 1.22 -0.45 -0.91 -1.00 0.00 0.00 179.01 177.87 1orj h ASN 1055N 0.64 0.59 0.07 1.42 2.35 -1.11 -2.36 115.58 117.17 1orj h ASN 1055Ca -0.01 -0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.34 1orj h ASN 1055Cb 1.24 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1orj h ASN 1055CO 0.14 0.95 -0.44 0.40 -1.65 0.00 0.00 177.43 176.83 1orj h ILE 1056N 0.44 1.31 -0.90 2.81 1.08 -1.23 -1.74 117.51 119.29 1orj h ILE 1056Ca 0.03 -1.62 0.04 0.00 -0.39 0.00 0.00 64.86 62.92 1orj h ILE 1056Cb 0.96 1.65 -0.06 0.00 -3.07 0.00 0.00 36.82 36.30 1orj h ILE 1056CO 0.09 0.50 0.58 0.44 -0.69 0.00 0.00 178.15 179.06 1orj h ASP 1057N 0.37 0.95 -0.25 1.72 3.32 -1.21 -1.35 116.42 119.97 1orj h ASP 1057Ca 0.03 -0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 1orj h ASP 1057Cb 0.92 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1orj h ASP 1057CO 0.08 0.64 -0.57 0.03 -1.72 0.00 0.00 179.24 177.70 1orj h ARG 1058N 1.10 0.85 -0.49 3.56 3.08 -1.12 0.10 114.38 121.46 1orj h ARG 1058Ca 0.37 -0.55 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 1orj h ARG 1058Cb 0.05 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1orj h ARG 1058CO -0.13 1.18 0.12 0.28 -1.07 0.00 0.00 179.97 180.35 1orj h VAL 1059N 0.64 1.24 -0.45 2.04 2.07 -1.20 -1.30 116.25 119.30 1orj h VAL 1059Ca 0.01 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1orj h VAL 1059Cb 1.18 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1orj h VAL 1059CO 0.12 0.30 0.14 0.22 0.02 0.00 0.00 177.57 178.38 1orj h TYR 1060N 0.67 0.73 -0.49 1.57 3.20 -1.07 -1.07 116.97 120.51 1orj h TYR 1060Ca 0.15 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1orj h TYR 1060Cb 0.33 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1orj h TYR 1060CO 0.02 0.65 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.74 1orj h ASP 1061N 0.59 0.86 -0.24 -2.11 3.32 -0.72 -1.33 116.42 116.80 1orj h ASP 1061Ca 0.14 -0.32 -0.17 0.00 0.02 0.00 0.00 57.03 56.71 1orj h ASP 1061Cb 0.27 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1orj h ASP 1061CO -0.00 0.97 -0.50 0.40 -1.72 0.00 0.00 179.24 178.39 1orj h ILE 1062N 0.74 1.28 -0.02 0.35 2.04 -1.14 -1.87 117.51 118.89 1orj h ILE 1062Ca 0.14 -1.69 -0.13 0.00 1.00 0.00 0.00 64.86 64.17 1orj h ILE 1062Cb 0.54 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1orj h ILE 1062CO 0.03 0.55 -0.62 0.40 0.00 0.00 0.00 178.15 178.51 1orj h ILE 1063N 0.64 1.43 -0.62 -0.67 1.08 -1.21 0.99 117.51 119.15 1orj h ILE 1063Ca 0.03 -2.08 -0.05 0.00 -0.39 0.00 0.00 64.86 62.36 1orj h ILE 1063Cb 1.08 2.10 -0.03 0.00 -3.07 0.00 0.00 36.82 36.91 1orj h ILE 1063CO 0.11 0.60 0.18 0.28 -0.69 0.00 0.00 178.15 178.63 1orj h SER 1064N 0.05 0.92 0.31 1.72 0.02 -1.15 0.20 113.55 115.62 1orj h SER 1064Ca -0.01 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1orj h SER 1064Cb 1.10 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1orj h SER 1064CO 0.08 0.89 -0.15 0.00 -1.14 0.00 0.00 176.83 176.52 1orj h ALA 1065N 1.06 -0.42 -0.87 3.77 0.00 -1.06 -1.15 119.26 120.59 1orj h ALA 1065Ca 0.20 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1orj h ALA 1065Cb 0.32 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1orj h ALA 1065CO -0.00 -0.65 0.44 -0.07 0.00 0.00 0.00 179.25 178.96 1orj h LEU 1066N -0.59 0.50 -0.61 0.00 3.38 -0.64 0.66 115.31 118.02 1orj h LEU 1066Ca -0.04 0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1orj h LEU 1066Cb 0.43 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1orj h LEU 1066CO 0.07 0.17 -0.56 0.50 0.09 0.00 0.00 178.44 178.72 1orj h LYS 1067N 0.58 0.40 0.00 1.13 3.64 -0.41 -3.24 116.57 118.68 1orj h LYS 1067Ca 0.50 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1orj h LYS 1067Cb 0.77 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1orj h LYS 1067CO -0.40 0.85 -0.66 0.66 -2.27 0.00 0.00 179.45 177.63 1orj h SER 1068N 0.31 0.00 0.48 4.20 4.64 0.33 -2.85 113.55 120.65 1orj h SER 1068Ca 0.00 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1orj h SER 1068Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1orj h SER 1068CO 0.10 0.10 0.00 0.49 -0.87 0.00 0.00 176.83 176.64 1orj n PHE 1069N -2.17 0.21 -1.94 4.77 3.01 -0.01 -4.88 117.46 116.46 1orj n PHE 1069Ca 0.03 0.09 -0.41 0.00 1.01 0.00 0.00 57.45 58.17 1orj n PHE 1069Cb 0.45 -0.64 -0.01 0.00 -0.01 0.00 0.00 39.48 39.27 1orj n PHE 1069CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1orj s LEU 1070N -3.39 4.37 -1.11 4.37 1.43 -1.08 -4.87 118.68 118.40 1orj s LEU 1070Ca 0.05 2.86 -0.18 0.00 -1.03 0.00 0.00 54.13 55.83 1orj s LEU 1070Cb 0.08 -3.65 0.11 0.00 0.03 0.00 0.00 46.19 42.77 1orj s LEU 1070CO 0.26 -0.74 1.42 -0.62 0.23 0.00 0.00 176.35 176.90 1orj s ASP 1071N -0.10 6.78 0.21 2.29 -1.08 0.77 -4.81 116.67 120.74 1orj s ASP 1071Ca 0.54 -2.30 -0.04 0.00 -0.52 0.00 0.00 52.55 50.22 1orj s ASP 1071Cb -0.44 -2.47 0.18 0.00 -1.46 0.00 0.00 42.92 38.73 1orj s ASP 1071CO 0.55 -1.08 1.62 0.45 0.52 0.00 0.00 175.17 177.23 1orj h HIS 1072N 8.25 0.88 -0.27 -5.34 3.86 -1.92 0.33 115.15 120.94 1orj h HIS 1072Ca 0.28 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 1orj h HIS 1072Cb 0.94 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 1orj h HIS 1072CO 1.23 0.93 -0.15 1.49 0.86 0.00 0.00 177.93 182.29 1orj h GLU 1073N 0.67 0.57 -0.13 2.45 4.81 -1.96 -3.32 114.58 117.66 1orj h GLU 1073Ca 0.09 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1orj h GLU 1073Cb 0.74 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1orj h GLU 1073CO 0.06 0.83 0.00 1.63 -0.73 0.00 0.00 179.01 180.80 1orj n LYS 1074N -4.43 1.39 0.00 1.92 4.76 -1.24 -4.65 118.16 115.90 1orj n LYS 1074Ca -0.04 -1.46 0.13 0.00 -2.87 0.00 0.00 58.31 54.08 1orj n LYS 1074Cb 0.37 -1.21 0.32 0.00 -1.84 0.00 0.00 35.03 32.66 1orj n LYS 1074CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1orj n GLY 1075N 0.50 0.40 7.00 0.72 0.00 0.12 -4.98 105.19 108.95 1orj n GLY 1075Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1orj n GLY 1075CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1orj n LYS 1076N 0.63 0.00 0.29 1.61 5.02 -1.26 -1.39 118.16 123.07 1orj n LYS 1076Ca 0.16 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.63 1orj n LYS 1076Cb 0.46 0.00 0.85 0.00 -0.02 0.00 0.00 35.03 36.33 1orj n LYS 1076CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1orj h GLU 1077N 0.00 0.00 -0.33 1.97 9.09 -1.96 -3.03 114.58 120.32 1orj h GLU 1077Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.27 1orj h GLU 1077Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1orj h GLU 1077CO 0.00 0.03 -0.36 0.82 0.05 0.00 0.00 179.01 179.55 1orj h ILE 1078N 0.00 1.29 -0.44 -1.06 2.04 -1.89 0.89 117.51 118.33 1orj h ILE 1078Ca -0.00 -1.53 -0.11 0.00 1.00 0.00 0.00 64.86 64.22 1orj h ILE 1078Cb 0.34 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1orj h ILE 1078CO 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 178.15 178.52 1orj h ALA 1079N 0.73 0.61 -0.62 1.87 0.00 -1.11 -2.16 119.26 118.58 1orj h ALA 1079Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1orj h ALA 1079Cb 0.94 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1orj h ALA 1079CO 0.09 0.53 0.39 -0.22 0.00 0.00 0.00 179.25 180.03 1orj h LYS 1080N 0.70 0.82 -0.54 0.00 1.63 -1.38 0.19 116.57 118.00 1orj h LYS 1080Ca 0.11 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 1orj h LYS 1080Cb 0.68 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1orj h LYS 1080CO 0.05 0.57 -0.07 -0.91 -3.45 0.00 0.00 179.45 175.64 1orj h ASN 1081N 0.83 0.99 -0.64 4.20 2.35 -0.81 -1.56 115.58 120.94 1orj h ASN 1081Ca 0.22 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1orj h ASN 1081Cb -0.06 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 1orj h ASN 1081CO -0.05 1.08 0.21 0.25 -1.65 0.00 0.00 177.43 177.27 1orj h LEU 1082N 0.90 0.95 -1.08 1.61 5.85 -0.81 -2.26 115.31 120.47 1orj h LEU 1082Ca 0.15 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1orj h LEU 1082Cb 0.62 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1orj h LEU 1082CO 0.04 0.89 0.27 -0.78 -0.34 0.00 0.00 178.44 178.52 1orj h ASP 1083N 0.99 0.84 -0.18 1.25 3.58 -0.44 -0.33 116.42 122.13 1orj h ASP 1083Ca 0.22 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1orj h ASP 1083Cb 0.28 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1orj h ASP 1083CO -0.01 0.74 0.09 0.74 -2.88 0.00 0.00 179.24 177.92 1orj h THR 1084N 0.92 1.13 -0.06 2.25 2.02 -0.74 0.78 112.91 119.21 1orj h THR 1084Ca 0.22 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1orj h THR 1084Cb 0.15 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1orj h THR 1084CO -0.02 0.12 0.01 0.40 0.37 0.00 0.00 175.52 176.39 1orj h ILE 1085N 0.16 1.22 -0.66 3.11 2.04 -1.19 -2.10 117.51 120.10 1orj h ILE 1085Ca 0.06 -0.67 0.10 0.00 1.00 0.00 0.00 64.86 65.35 1orj h ILE 1085Cb 0.11 1.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 1orj h ILE 1085CO -0.01 0.18 0.27 1.88 0.00 0.00 0.00 178.15 180.48 1orj h TYR 1086N -0.16 0.48 -0.91 1.37 0.05 -0.99 -1.39 116.97 115.42 1orj h TYR 1086Ca 0.02 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.87 1orj h TYR 1086Cb 0.29 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 37.86 1orj h TYR 1086CO 0.02 0.13 0.59 1.15 -1.05 0.00 0.00 178.16 178.99 1orj h THR 1087N 0.46 1.13 -0.33 -2.88 2.02 -0.60 0.46 112.91 113.16 1orj h THR 1087Ca 0.33 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1orj h THR 1087Cb 0.41 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1orj h THR 1087CO -0.31 0.20 0.06 0.40 0.37 0.00 0.00 175.52 176.24 1orj h ILE 1088N 1.12 1.23 -0.17 3.11 2.04 -0.67 -0.51 117.51 123.67 1orj h ILE 1088Ca 0.37 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1orj h ILE 1088Cb 0.04 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1orj h ILE 1088CO -0.13 0.27 -0.07 0.40 0.00 0.00 0.00 178.15 178.61 1orj h ILE 1089N 0.38 0.75 -0.49 -0.67 2.04 -0.66 -1.24 117.51 117.62 1orj h ILE 1089Ca 0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1orj h ILE 1089Cb 0.34 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1orj h ILE 1089CO 0.01 0.00 0.28 -0.07 0.00 0.00 0.00 178.15 178.36 1orj h LEU 1090N -0.05 0.44 -1.86 1.44 3.38 -0.70 -0.12 115.31 117.84 1orj h LEU 1090Ca 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1orj h LEU 1090Cb 0.19 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1orj h LEU 1090CO -0.21 0.31 -0.11 0.78 0.09 0.00 0.00 178.44 179.30 1orj h ASN 1091N 0.55 0.00 -0.02 -0.43 2.35 -0.72 -2.42 115.58 114.90 1orj h ASN 1091Ca 0.20 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 1orj h ASN 1091Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.43 1orj h ASN 1091CO -0.11 0.11 -0.48 0.74 -1.65 0.00 0.00 177.43 176.05 1orj h THR 1092N 0.00 1.45 -0.02 2.81 2.02 0.09 -3.11 112.91 116.16 1orj h THR 1092Ca -0.00 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.17 1orj h THR 1092Cb 0.22 2.58 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1orj h THR 1092CO 0.01 0.57 -0.06 -0.07 0.37 0.00 0.00 175.52 176.35 1orj h LEU 1093N -0.19 0.03 0.00 2.58 3.38 -0.79 -2.76 115.31 117.55 1orj h LEU 1093Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1orj h LEU 1093Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1orj h LEU 1093CO 0.09 0.09 -0.39 0.58 0.09 0.00 0.00 178.44 178.90 1orj h VAL 1094N 0.03 0.00 -2.50 1.22 2.07 -1.45 -3.46 116.25 112.16 1orj h VAL 1094Ca 0.01 -0.54 -0.54 0.00 0.82 0.00 0.00 66.70 66.45 1orj h VAL 1094Cb 0.12 1.29 0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1orj h VAL 1094CO 0.01 0.00 1.02 0.29 0.02 0.00 0.00 177.57 178.91 1orj n LYS 1095N -2.25 2.66 0.19 1.57 5.02 -1.04 -4.89 118.16 119.42 1orj n LYS 1095Ca 0.04 0.96 0.06 0.00 -2.02 0.00 0.00 58.31 57.36 1orj n LYS 1095Cb 0.45 -2.82 0.36 0.00 -0.02 0.00 0.00 35.03 33.00 1orj n LYS 1095CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1orj h VAL 1096N 4.17 0.83 -0.81 -0.18 -1.51 -1.90 -3.03 116.25 113.83 1orj h VAL 1096Ca -0.45 -1.44 -0.54 0.00 -1.23 0.00 0.00 66.70 63.04 1orj h VAL 1096Cb 1.22 1.89 -0.31 0.00 -2.13 0.00 0.00 31.29 31.96 1orj h VAL 1096CO 0.94 0.34 0.14 -0.90 -1.23 0.00 0.00 177.57 176.86 1orj n ASP 1097N -3.52 5.62 -4.75 4.19 5.75 -1.26 -5.02 116.55 117.55 1orj n ASP 1097Ca -0.00 -3.77 -0.37 0.00 -0.01 0.00 0.00 54.79 50.64 1orj n ASP 1097Cb 0.49 -0.70 0.03 0.00 -1.03 0.00 0.00 41.12 39.91 1orj n ASP 1097CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1orj s LYS 1098N -3.62 3.20 0.30 0.11 -2.85 -1.15 -5.00 119.74 110.73 1orj s LYS 1098Ca 0.56 1.99 0.06 0.00 -1.00 0.00 0.00 55.97 57.59 1orj s LYS 1098Cb 0.46 -2.17 -0.02 0.00 -2.06 0.00 0.00 37.83 34.04 1orj s LYS 1098CO 0.02 -1.07 0.41 0.95 0.10 0.00 0.00 175.35 175.76 1orj s THR 1099N -1.45 4.38 0.34 3.79 -4.23 -1.26 -5.01 115.64 112.19 1orj s THR 1099Ca 0.72 -1.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.27 1orj s THR 1099Cb -0.34 -3.52 0.09 0.00 1.34 0.00 0.00 72.50 70.07 1orj s THR 1099CO 0.40 -0.22 1.80 0.50 -0.54 0.00 0.00 174.62 176.56 1orj h LYS 1100N 1.03 0.23 0.12 3.99 3.64 -1.99 -2.41 116.57 121.17 1orj h LYS 1100Ca -0.48 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 1orj h LYS 1100Cb 1.25 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1orj h LYS 1100CO 0.56 0.51 -0.06 1.49 -2.27 0.00 0.00 179.45 179.68 1orj h GLU 1101N 0.20 -0.16 -0.05 1.90 4.81 -1.99 -1.22 114.58 118.08 1orj h GLU 1101Ca 0.03 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1orj h GLU 1101Cb 0.62 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1orj h GLU 1101CO 0.05 -0.02 -0.44 1.05 -0.73 0.00 0.00 179.01 178.92 1orj h GLU 1102N -0.26 0.11 -0.26 1.92 4.11 -1.85 -1.94 114.58 116.41 1orj h GLU 1102Ca -0.02 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 1orj h GLU 1102Cb 0.21 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1orj h GLU 1102CO 0.03 0.53 -0.22 -0.07 0.07 0.00 0.00 179.01 179.35 1orj h LEU 1103N 0.09 0.47 -0.63 3.06 3.38 -1.35 -2.28 115.31 118.06 1orj h LEU 1103Ca 0.01 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1orj h LEU 1103Cb 0.82 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1orj h LEU 1103CO 0.06 0.70 -0.03 1.56 0.09 0.00 0.00 178.44 180.82 1orj h GLN 1104N 0.43 1.05 0.09 1.13 4.20 -0.47 -1.52 115.11 120.01 1orj h GLN 1104Ca 0.07 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 1orj h GLN 1104Cb 0.62 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1orj h GLN 1104CO 0.04 1.04 -0.04 0.87 -0.67 0.00 0.00 178.83 180.07 1orj h LYS 1105N 0.95 -0.12 -0.98 1.46 1.57 -1.34 -1.70 116.57 116.42 1orj h LYS 1105Ca 0.16 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.12 1orj h LYS 1105Cb 0.58 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.83 1orj h LYS 1105CO 0.03 0.09 0.61 0.82 -0.57 0.00 0.00 179.45 180.44 1orj h ILE 1106N -0.31 0.78 -0.57 1.86 2.04 -1.29 0.62 117.51 120.65 1orj h ILE 1106Ca -0.01 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1orj h ILE 1106Cb 0.26 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1orj h ILE 1106CO 0.02 0.14 0.03 0.25 0.00 0.00 0.00 178.15 178.60 1orj h LEU 1107N 0.78 0.91 -0.58 1.44 5.85 -0.83 0.21 115.31 123.09 1orj h LEU 1107Ca 0.53 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1orj h LEU 1107Cb 0.79 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1orj h LEU 1107CO -0.30 0.95 0.36 -0.33 -0.34 0.00 0.00 178.44 178.78 1orj h GLU 1108N 0.88 0.79 -0.68 1.25 4.39 -0.02 -1.37 114.58 119.83 1orj h GLU 1108Ca 0.17 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1orj h GLU 1108Cb 0.47 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1orj h GLU 1108CO 0.02 0.56 0.40 0.82 -1.16 0.00 0.00 179.01 179.65 1orj h ILE 1109N 0.79 1.20 -0.82 3.13 2.04 -0.37 0.15 117.51 123.63 1orj h ILE 1109Ca 0.21 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1orj h ILE 1109Cb -0.03 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 1orj h ILE 1109CO -0.04 0.21 0.42 -0.07 0.00 0.00 0.00 178.15 178.67 1orj h LEU 1110N 0.93 1.05 -0.67 1.44 3.38 -0.32 -1.78 115.31 119.34 1orj h LEU 1110Ca 0.24 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1orj h LEU 1110Cb -0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1orj h LEU 1110CO -0.04 0.87 0.04 0.11 0.09 0.00 0.00 178.44 179.51 1orj h LYS 1111N 1.16 1.08 -0.41 1.13 1.57 -0.29 0.07 116.57 120.88 1orj h LYS 1111Ca 0.29 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1orj h LYS 1111Cb 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1orj h LYS 1111CO -0.04 1.02 -0.07 0.38 -0.57 0.00 0.00 179.45 180.17 1orj h ASP 1112N 0.99 0.78 0.07 0.86 2.03 -0.29 -2.26 116.42 118.60 1orj h ASP 1112Ca 0.18 -0.35 0.01 0.00 -0.73 0.00 0.00 57.03 56.15 1orj h ASP 1112Cb 0.51 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.77 1orj h ASP 1112CO 0.02 0.95 -0.15 -0.07 -1.03 0.00 0.00 179.24 178.96 1orj h LEU 1113N 0.60 -0.42 -1.99 0.15 3.38 -1.20 -0.95 115.31 114.88 1orj h LEU 1113Ca 0.11 0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.32 1orj h LEU 1113Cb 0.59 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1orj h LEU 1113CO 0.04 -0.22 0.48 -0.09 0.09 0.00 0.00 178.44 178.73 1orj h ARG 1114N -0.29 0.01 0.01 1.13 1.12 -0.85 0.15 114.38 115.66 1orj h ARG 1114Ca 0.03 -0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.63 1orj h ARG 1114Cb 0.32 -0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.29 1orj h ARG 1114CO -0.10 0.01 -1.05 1.49 -3.11 0.00 0.00 179.97 177.21 1orj h GLU 1115N 0.01 0.65 -0.78 0.20 4.22 -0.70 -1.84 114.58 116.35 1orj h GLU 1115Ca 0.32 -0.72 0.08 0.00 0.08 0.00 0.00 59.36 59.12 1orj h GLU 1115Cb 1.25 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 1orj h GLU 1115CO -0.01 1.30 0.51 0.00 -2.18 0.00 0.00 179.01 178.63 1orj h ALA 1116N 0.45 1.70 0.03 2.92 0.00 0.54 -2.76 119.26 122.15 1orj h ALA 1116Ca -0.13 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 1orj h ALA 1116Cb 1.70 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 19.32 1orj h ALA 1116CO 0.20 0.16 -0.96 -1.49 0.00 0.00 0.00 179.25 177.16 1orj h TRP 1117N 0.78 0.91 0.00 0.00 4.06 -1.02 -2.80 115.95 117.88 1orj h TRP 1117Ca 0.35 -0.52 -0.03 0.00 2.06 0.00 0.00 58.89 60.75 1orj h TRP 1117Cb 0.33 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.39 1orj h TRP 1117CO -0.00 1.35 -0.15 0.93 -3.56 0.00 0.00 178.44 177.01 1orj h GLU 1118N 0.21 0.00 0.00 0.49 4.39 -1.20 -1.36 114.58 117.11 1orj h GLU 1118Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1orj h GLU 1118Cb 1.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 1orj h GLU 1118CO 0.19 0.15 -0.34 -1.91 -1.16 0.00 0.00 179.01 175.94 1orj n GLU 1119N -4.34 0.16 -0.05 2.33 2.13 -1.05 -1.06 120.64 118.75 1orj n GLU 1119Ca -0.03 0.08 -0.14 0.00 0.66 0.00 0.00 57.16 57.73 1orj n GLU 1119Cb 0.22 -1.63 -0.12 0.00 0.27 0.00 0.00 31.44 30.18 1orj n GLU 1119CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1orj h VAL 1120N 0.00 1.67 -0.72 6.31 2.07 -0.99 -2.91 116.25 121.68 1orj h VAL 1120Ca 0.00 -2.01 0.15 0.00 0.82 0.00 0.00 66.70 65.67 1orj h VAL 1120Cb 0.64 3.02 -0.10 0.00 -1.52 0.00 0.00 31.29 33.32 1orj h VAL 1120CO 0.00 0.52 0.19 0.50 0.02 0.00 0.00 177.57 178.80 1orj h LYS 1121N -0.81 0.29 -0.57 1.57 3.64 -1.38 0.56 116.57 119.86 1orj h LYS 1121Ca -0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1orj h LYS 1121Cb 0.88 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1orj h LYS 1121CO 0.01 0.19 0.38 -0.22 -2.27 0.00 0.00 179.45 177.53 1orj h LYS 1122N 0.29 0.75 -0.19 1.90 3.11 -1.16 -2.82 116.57 118.45 1orj h LYS 1122Ca 0.40 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 58.13 1orj h LYS 1122Cb 0.66 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 1orj h LYS 1122CO -0.48 0.50 -0.16 0.87 -2.81 0.00 0.00 179.45 177.37 1orj h LYS 1123N 0.77 0.32 0.04 1.90 1.57 -0.75 -3.12 116.57 117.30 1orj h LYS 1123Ca 0.21 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.67 1orj h LYS 1123Cb -0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1orj h LYS 1123CO -0.05 0.48 -1.12 0.28 -0.57 0.00 0.00 179.45 178.48 1orj h VAL 1124N 0.30 1.60 -0.32 0.50 2.07 -0.85 -3.16 116.25 116.39 1orj h VAL 1124Ca 0.06 -3.27 -0.08 0.00 0.82 0.00 0.00 66.70 64.23 1orj h VAL 1124Cb 0.46 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1orj h VAL 1124CO 0.03 0.93 -0.10 0.45 0.02 0.00 0.00 177.57 178.90 1orj h HIS 1125N 0.02 0.73 0.00 1.57 3.86 -1.50 -2.68 115.15 117.15 1orj h HIS 1125Ca -0.07 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1orj h HIS 1125Cb 1.85 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 30.15 1orj h HIS 1125CO 0.02 0.83 0.00 1.58 0.86 0.00 0.00 177.93 181.22 1orj n HIS 1126N -4.42 0.00 0.68 2.45 -0.00 -1.18 -5.16 115.22 107.59 1orj n HIS 1126Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.78 1orj n HIS 1126Cb 0.35 -0.24 0.07 0.00 -0.00 0.00 0.00 29.99 30.16 1orj n HIS 1126CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92