#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqb s LYS 1002N 0.00 2.82 0.02 3.17 -2.85 -1.26 -0.71 119.74 120.93 1jqb s LYS 1002Ca 0.00 -0.83 -0.21 0.00 -1.00 0.00 0.00 55.97 53.92 1jqb s LYS 1002Cb 0.00 -2.64 0.05 0.00 -2.06 0.00 0.00 37.83 33.18 1jqb s LYS 1002CO 0.00 0.51 0.48 0.20 0.10 0.00 0.00 175.35 176.64 1jqb s GLY 1003N -2.81 -0.37 -0.44 0.59 0.00 -0.39 -2.41 107.32 101.49 1jqb s GLY 1003Ca 0.30 0.59 -0.23 0.00 0.00 0.00 0.00 44.72 45.38 1jqb s GLY 1003CO 0.22 0.31 0.78 -0.12 0.00 0.00 0.00 173.10 174.29 1jqb s PHE 1004N -2.07 3.01 0.40 1.90 5.36 0.00 -1.15 117.98 125.43 1jqb s PHE 1004Ca -0.08 0.20 0.05 0.00 -0.96 0.00 0.00 56.93 56.15 1jqb s PHE 1004Cb -0.01 -3.62 -0.06 0.00 -0.34 0.00 0.00 43.02 38.99 1jqb s PHE 1004CO 0.01 -0.95 0.03 0.00 -1.46 0.00 0.00 175.22 172.85 1jqb s ALA 1005N 3.25 3.07 -0.53 11.12 0.00 0.14 -0.94 121.76 137.86 1jqb s ALA 1005Ca 0.30 -1.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.19 1jqb s ALA 1005Cb -0.12 0.33 0.06 0.00 0.00 0.00 0.00 23.12 23.39 1jqb s ALA 1005CO 0.22 -0.17 0.73 1.41 0.00 0.00 0.00 175.76 177.94 1jqb s MET 1006N -3.79 3.16 0.00 0.00 1.75 -0.50 -1.70 119.30 118.22 1jqb s MET 1006Ca 0.30 -0.78 0.11 0.00 -1.25 0.00 0.00 55.69 54.07 1jqb s MET 1006Cb 0.08 -4.11 0.65 0.00 2.84 0.00 0.00 34.83 34.29 1jqb s MET 1006CO 0.15 -1.35 1.08 1.28 -0.65 0.00 0.00 175.02 175.53 1jqb n LEU 1007N 6.58 0.00 0.00 4.11 4.32 -0.34 -0.80 117.00 130.87 1jqb n LEU 1007Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1jqb n LEU 1007Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1jqb n LEU 1007CO 0.57 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 1jqb n GLY 1008N -0.22 1.57 3.65 -0.72 0.00 -1.23 -4.52 105.19 103.71 1jqb n GLY 1008Ca 0.08 -2.01 -0.57 0.00 0.00 0.00 0.00 46.02 43.52 1jqb n GLY 1008CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jqb n ILE 1009N -1.68 0.14 -0.87 -0.61 -0.00 -1.26 -0.37 119.36 114.71 1jqb n ILE 1009Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 1jqb n ILE 1009Cb 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 39.64 38.74 1jqb n ILE 1009CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1jqb n ASN 1010N 3.89 -1.95 -4.27 4.38 3.02 -0.30 -5.00 115.26 115.03 1jqb n ASN 1010Ca 0.23 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.46 1jqb n ASN 1010Cb 0.13 -1.52 -0.16 0.00 -0.61 0.00 0.00 39.78 37.61 1jqb n ASN 1010CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1jqb s LYS 1011N -0.69 3.02 0.10 3.52 2.47 0.50 -4.97 119.74 123.69 1jqb s LYS 1011Ca 0.00 -0.84 0.06 0.00 -1.56 0.00 0.00 55.97 53.63 1jqb s LYS 1011Cb 0.00 -2.35 -0.03 0.00 -1.46 0.00 0.00 37.83 33.99 1jqb s LYS 1011CO 0.00 0.24 -0.16 -0.51 0.16 0.00 0.00 175.35 175.08 1jqb s LEU 1012N 0.22 2.35 0.00 5.43 1.43 -1.26 -1.20 118.68 125.65 1jqb s LEU 1012Ca -0.14 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1jqb s LEU 1012Cb -0.17 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1jqb s LEU 1012CO 0.07 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1jqb n GLY 1013N 0.86 1.96 3.74 -3.19 0.00 -0.69 -4.83 105.19 103.04 1jqb n GLY 1013Ca -0.18 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 1jqb n GLY 1013CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jqb s TRP 1014N -2.00 3.75 0.26 1.61 0.52 -1.26 -0.68 118.94 121.14 1jqb s TRP 1014Ca 0.00 1.56 0.02 0.00 0.02 0.00 0.00 56.10 57.70 1jqb s TRP 1014Cb 0.00 -2.89 -0.04 0.00 -1.15 0.00 0.00 33.47 29.39 1jqb s TRP 1014CO 0.00 0.24 0.14 0.96 0.02 0.00 0.00 176.95 178.32 1jqb s ILE 1015N 0.00 0.24 -0.09 2.03 -4.36 -0.30 -4.94 121.20 113.78 1jqb s ILE 1015Ca 0.41 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.75 1jqb s ILE 1015Cb -0.21 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 1jqb s ILE 1015CO 0.25 0.00 0.12 -1.61 0.24 0.00 0.00 174.94 173.94 1jqb s GLU 1016N -3.96 3.34 -0.00 0.37 2.02 -1.26 -1.27 118.70 117.93 1jqb s GLU 1016Ca 0.38 -0.23 -0.06 0.00 0.02 0.00 0.00 54.97 55.08 1jqb s GLU 1016Cb 0.06 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1jqb s GLU 1016CO 0.15 0.74 0.11 0.15 0.02 0.00 0.00 175.26 176.43 1jqb s LYS 1017N -1.22 0.39 0.53 1.61 -0.14 0.11 -4.97 119.74 116.04 1jqb s LYS 1017Ca 0.17 -0.32 -0.22 0.00 -1.36 0.00 0.00 55.97 54.24 1jqb s LYS 1017Cb -0.12 0.16 -0.05 0.00 -1.68 0.00 0.00 37.83 36.14 1jqb s LYS 1017CO 0.07 -0.09 1.30 -1.21 -0.76 0.00 0.00 175.35 174.67 1jqb s GLU 1018N -1.12 3.29 0.10 1.68 2.02 -1.26 -0.97 118.70 122.44 1jqb s GLU 1018Ca -0.12 2.10 -0.31 0.00 0.02 0.00 0.00 54.97 56.66 1jqb s GLU 1018Cb -0.07 -2.28 -0.08 0.00 0.10 0.00 0.00 34.13 31.80 1jqb s GLU 1018CO 0.01 -1.02 1.52 0.50 0.02 0.00 0.00 175.26 176.29 1jqb s ARG 1019N -2.87 4.25 0.46 1.61 3.52 -1.26 -4.75 118.95 119.91 1jqb s ARG 1019Ca 0.70 2.22 -0.24 0.00 -0.13 0.00 0.00 55.73 58.28 1jqb s ARG 1019Cb -0.37 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.58 1jqb s ARG 1019CO 0.44 -0.60 1.26 -1.25 -0.81 0.00 0.00 175.30 174.34 1jqb s PRO 1020N 1.74 3.68 0.01 5.12 0.04 -1.26 -5.03 135.00 139.29 1jqb s PRO 1020Ca 0.69 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.80 1jqb s PRO 1020Cb -0.39 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 1jqb s PRO 1020CO 0.31 -0.69 -0.12 0.14 0.04 0.00 0.00 177.00 176.68 1jqb s VAL 1021N -1.38 3.25 0.12 -0.36 -7.23 -1.26 -4.97 120.40 108.57 1jqb s VAL 1021Ca 0.63 -0.91 -0.19 0.00 -1.81 0.00 0.00 61.98 59.70 1jqb s VAL 1021Cb -0.35 -2.38 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 1jqb s VAL 1021CO 0.43 0.41 0.62 0.00 -0.31 0.00 0.00 175.10 176.25 1jqb s ALA 1022N -0.93 3.54 0.89 1.32 0.00 -1.26 -5.03 121.76 120.29 1jqb s ALA 1022Ca 0.15 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.09 1jqb s ALA 1022Cb -0.11 -2.69 0.19 0.00 0.00 0.00 0.00 23.12 20.50 1jqb s ALA 1022CO 0.06 0.38 1.21 0.20 0.00 0.00 0.00 175.76 177.61 1jqb s GLY 1023N -1.30 1.78 0.42 0.00 0.00 -1.26 -4.80 107.32 102.16 1jqb s GLY 1023Ca 0.34 -1.48 0.25 0.00 0.00 0.00 0.00 44.72 43.82 1jqb s GLY 1023CO 0.20 -0.75 1.69 1.76 0.00 0.00 0.00 173.10 176.00 1jqb h SER 1024N -1.27 0.33 -0.13 1.64 0.02 -1.97 -1.48 113.55 110.70 1jqb h SER 1024Ca -0.41 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1jqb h SER 1024Cb 1.24 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1jqb h SER 1024CO 0.36 -0.06 0.00 -1.22 -1.14 0.00 0.00 176.83 174.77 1jqb n TYR 1025N -4.67 0.15 -2.58 3.45 4.02 -1.26 -0.51 117.16 115.76 1jqb n TYR 1025Ca 0.32 -0.13 -0.22 0.00 -0.01 0.00 0.00 57.90 57.85 1jqb n TYR 1025Cb 1.17 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 40.55 1jqb n TYR 1025CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1jqb s ASP 1026N -1.14 4.86 0.01 7.72 1.01 -0.56 -0.33 116.67 128.25 1jqb s ASP 1026Ca 0.20 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.35 1jqb s ASP 1026Cb 0.13 -0.55 -0.01 0.00 1.01 0.00 0.00 42.92 43.51 1jqb s ASP 1026CO 0.18 -1.47 -0.02 0.00 0.21 0.00 0.00 175.17 174.08 1jqb s ALA 1027N -2.96 0.10 -0.20 5.23 0.00 -0.88 -0.24 121.76 122.82 1jqb s ALA 1027Ca 0.61 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 1jqb s ALA 1027Cb -0.08 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1jqb s ALA 1027CO 0.41 -0.03 0.08 0.42 0.00 0.00 0.00 175.76 176.64 1jqb s ILE 1028N -0.47 4.84 0.05 0.00 -1.09 0.33 -1.51 121.20 123.35 1jqb s ILE 1028Ca -0.05 -0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.43 1jqb s ILE 1028Cb -0.03 -3.20 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 1jqb s ILE 1028CO -0.00 0.43 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.27 1jqb s VAL 1029N 0.59 1.45 -0.14 2.92 1.01 -0.20 -1.06 120.40 124.98 1jqb s VAL 1029Ca 0.04 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1jqb s VAL 1029Cb -0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1jqb s VAL 1029CO 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 175.10 175.16 1jqb s ARG 1030N -1.27 3.55 0.24 2.72 1.70 -0.55 -0.50 118.95 124.85 1jqb s ARG 1030Ca 0.05 -0.51 -0.30 0.00 -0.47 0.00 0.00 55.73 54.50 1jqb s ARG 1030Cb -0.09 -2.88 -0.09 0.00 -0.57 0.00 0.00 34.95 31.32 1jqb s ARG 1030CO 0.02 0.31 1.28 -1.25 -1.08 0.00 0.00 175.30 174.58 1jqb s PRO 1031N 0.17 4.41 -0.21 3.89 0.04 -1.26 -0.86 135.00 141.18 1jqb s PRO 1031Ca -0.01 2.06 0.13 0.00 0.04 0.00 0.00 61.00 63.21 1jqb s PRO 1031Cb -0.14 -3.16 -0.22 0.00 0.04 0.00 0.00 34.50 31.02 1jqb s PRO 1031CO 0.03 -0.17 -0.02 1.28 0.04 0.00 0.00 177.00 178.15 1jqb n LEU 1032N 1.98 0.90 -3.70 -3.56 4.77 0.35 -4.75 117.00 112.99 1jqb n LEU 1032Ca 0.04 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1jqb n LEU 1032Cb 0.43 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1jqb n LEU 1032CO 0.58 0.61 0.19 0.00 -1.33 0.00 0.00 177.39 177.44 1jqb s ALA 1033N -2.48 -1.24 0.20 -1.18 0.00 -1.07 -1.69 121.76 114.30 1jqb s ALA 1033Ca -0.17 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1jqb s ALA 1033Cb 0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1jqb s ALA 1033CO 0.73 -0.25 0.12 0.14 0.00 0.00 0.00 175.76 176.50 1jqb s VAL 1034N 0.04 0.09 -0.10 0.00 -7.23 -0.47 -1.81 120.40 110.91 1jqb s VAL 1034Ca -0.02 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1jqb s VAL 1034Cb -0.03 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.48 1jqb s VAL 1034CO 0.02 -0.06 0.27 -0.55 -0.31 0.00 0.00 175.10 174.46 1jqb s SER 1035N -3.17 -0.29 0.40 4.85 0.15 -0.76 -0.80 113.70 114.09 1jqb s SER 1035Ca 0.37 0.55 -0.20 0.00 0.70 0.00 0.00 55.95 57.38 1jqb s SER 1035Cb 0.07 0.53 -0.11 0.00 -1.71 0.00 0.00 66.02 64.81 1jqb s SER 1035CO 0.11 -0.11 0.90 -2.16 1.20 0.00 0.00 173.24 173.18 1jqb s PRO 1036N 0.41 4.18 0.10 5.44 0.04 -1.26 -4.29 135.00 139.62 1jqb s PRO 1036Ca -0.02 1.01 0.10 0.00 0.04 0.00 0.00 61.00 62.13 1jqb s PRO 1036Cb -0.04 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1jqb s PRO 1036CO -0.02 0.01 -0.25 0.00 0.04 0.00 0.00 177.00 176.79 1jqb h THR 1038N 4.02 0.48 -0.79 0.00 1.35 -1.97 -0.49 112.91 115.51 1jqb h THR 1038Ca -0.48 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.34 1jqb h THR 1038Cb 1.17 0.92 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 1jqb h THR 1038CO 0.40 0.00 0.35 0.28 -0.25 0.00 0.00 175.52 176.31 1jqb h SER 1039N 0.00 1.05 -0.71 5.36 0.02 -1.97 -1.05 113.55 116.25 1jqb h SER 1039Ca 0.04 -0.15 0.12 0.00 -0.84 0.00 0.00 61.79 60.96 1jqb h SER 1039Cb 0.22 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 1jqb h SER 1039CO -0.00 0.91 0.47 0.44 -1.14 0.00 0.00 176.83 177.51 1jqb h ASP 1040N 1.12 0.44 -0.13 3.07 3.32 -1.47 -0.97 116.42 121.80 1jqb h ASP 1040Ca 0.27 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1jqb h ASP 1040Cb 0.16 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1jqb h ASP 1040CO -0.03 0.25 -0.13 0.40 -1.72 0.00 0.00 179.24 178.01 1jqb h ILE 1041N 0.48 1.35 -0.63 0.35 1.08 -1.23 -1.80 117.51 117.11 1jqb h ILE 1041Ca 0.34 -1.30 0.04 0.00 -0.39 0.00 0.00 64.86 63.55 1jqb h ILE 1041Cb 0.65 1.91 -0.05 0.00 -3.07 0.00 0.00 36.82 36.26 1jqb h ILE 1041CO -0.11 0.38 0.37 0.45 -0.69 0.00 0.00 178.15 178.55 1jqb h HIS 1042N -0.06 0.69 -0.55 1.37 3.86 -0.58 -0.51 115.15 119.37 1jqb h HIS 1042Ca 0.02 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1jqb h HIS 1042Cb 0.66 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1jqb h HIS 1042CO 0.09 0.36 0.09 1.15 0.86 0.00 0.00 177.93 180.48 1jqb h THR 1043N 0.71 1.25 0.00 2.45 2.02 -1.21 -2.43 112.91 115.71 1jqb h THR 1043Ca 0.27 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1jqb h THR 1043Cb 0.09 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1jqb h THR 1043CO -0.14 0.35 -0.03 0.58 0.37 0.00 0.00 175.52 176.65 1jqb h VAL 1044N 0.80 0.00 -0.14 3.16 2.07 -1.06 -2.54 116.25 118.54 1jqb h VAL 1044Ca 0.17 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1jqb h VAL 1044Cb 0.41 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1jqb h VAL 1044CO 0.01 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.09 1jqb n PHE 1045N -4.59 0.23 -1.36 1.57 3.72 -0.22 -1.15 117.46 115.66 1jqb n PHE 1045Ca -0.00 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1jqb n PHE 1045Cb 0.02 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1jqb n PHE 1045CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1jqb n GLU 1046N -0.05 0.00 -4.18 -1.08 1.02 -0.97 -4.87 120.64 110.51 1jqb n GLU 1046Ca 0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.86 1jqb n GLU 1046Cb 0.17 -0.17 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1jqb n GLU 1046CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jqb n GLY 1047N 0.00 -0.33 0.31 0.62 0.00 -0.96 -4.82 105.19 100.02 1jqb n GLY 1047Ca 0.00 0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.35 1jqb n GLY 1047CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb h ALA 1048N 0.87 1.13 -0.31 4.61 0.00 -1.64 -2.37 119.26 121.55 1jqb h ALA 1048Ca -0.61 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1jqb h ALA 1048Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1jqb h ALA 1048CO 0.73 0.03 0.00 1.28 0.00 0.00 0.00 179.25 181.29 1jqb n LEU 1049N -3.31 2.82 0.00 0.00 4.77 -1.26 -4.99 117.00 115.03 1jqb n LEU 1049Ca -0.02 -1.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 1jqb n LEU 1049Cb 0.14 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1jqb n LEU 1049CO 0.24 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1jqb n GLY 1050N 0.50 1.08 3.76 -0.72 0.00 -0.89 -4.99 105.19 103.92 1jqb n GLY 1050Ca 0.11 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 1jqb n GLY 1050CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jqb s ASP 1051N -0.32 5.95 0.04 1.61 2.15 -1.26 -4.85 116.67 119.99 1jqb s ASP 1051Ca 0.00 2.65 -0.01 0.00 0.43 0.00 0.00 52.55 55.62 1jqb s ASP 1051Cb 0.00 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 1jqb s ASP 1051CO 0.00 -1.10 -0.03 -0.13 -0.17 0.00 0.00 175.17 173.75 1jqb s ARG 1052N -2.53 0.54 -0.10 4.34 1.81 -1.26 -5.12 118.95 116.63 1jqb s ARG 1052Ca 0.63 -1.07 -0.03 0.00 -1.72 0.00 0.00 55.73 53.53 1jqb s ARG 1052Cb -0.38 0.19 0.05 0.00 -0.45 0.00 0.00 34.95 34.36 1jqb s ARG 1052CO 0.47 -0.10 0.14 0.21 -0.68 0.00 0.00 175.30 175.34 1jqb s LYS 1053N -3.33 0.03 -1.40 3.54 2.47 -1.26 -4.19 119.74 115.59 1jqb s LYS 1053Ca 0.02 0.41 -0.07 0.00 -1.56 0.00 0.00 55.97 54.76 1jqb s LYS 1053Cb 0.04 -0.61 0.04 0.00 -1.46 0.00 0.00 37.83 35.83 1jqb s LYS 1053CO -0.08 -0.39 0.92 0.09 0.16 0.00 0.00 175.35 176.05 1jqb n ASN 1054N 5.31 -3.60 -4.63 1.43 3.02 0.02 -4.97 115.26 111.85 1jqb n ASN 1054Ca -0.05 -0.74 -0.38 0.00 -0.03 0.00 0.00 54.58 53.38 1jqb n ASN 1054Cb 0.50 -4.24 -0.09 0.00 -0.61 0.00 0.00 39.78 35.34 1jqb n ASN 1054CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1jqb s MET 1055N -6.25 4.05 0.37 3.52 -2.45 -1.21 -4.83 119.30 112.49 1jqb s MET 1055Ca 0.37 -0.05 -0.28 0.00 -1.25 0.00 0.00 55.69 54.48 1jqb s MET 1055Cb -0.18 -3.61 -0.11 0.00 1.25 0.00 0.00 34.83 32.18 1jqb s MET 1055CO 0.80 -0.15 1.43 0.42 1.05 0.00 0.00 175.02 178.57 1jqb s ILE 1056N 1.67 2.25 0.68 10.11 1.01 -1.26 -1.41 121.20 134.24 1jqb s ILE 1056Ca 0.13 0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.05 1jqb s ILE 1056Cb -0.15 -3.16 0.11 0.00 0.01 0.00 0.00 42.46 39.27 1jqb s ILE 1056CO 0.09 0.06 0.94 -0.76 0.00 0.00 0.00 174.94 175.26 1jqb s LEU 1057N -2.03 3.02 0.00 2.97 1.43 -0.12 -0.59 118.68 123.37 1jqb s LEU 1057Ca 0.52 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1jqb s LEU 1057Cb -0.44 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1jqb s LEU 1057CO 0.60 -1.71 0.00 0.61 0.23 0.00 0.00 176.35 176.08 1jqb n GLY 1058N -2.67 -1.27 0.45 -3.19 0.00 -1.26 -1.12 105.19 96.14 1jqb n GLY 1058Ca 0.15 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1jqb n GLY 1058CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jqb n HIS 1059N -0.06 0.00 -3.97 1.61 1.44 -1.26 -1.12 115.22 111.85 1jqb n HIS 1059Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 1jqb n HIS 1059Cb 0.00 0.09 -0.15 0.00 0.12 0.00 0.00 29.99 30.05 1jqb n HIS 1059CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1jqb s GLU 1060N 0.00 1.70 -0.01 -1.40 2.02 -1.26 -3.98 118.70 115.77 1jqb s GLU 1060Ca 0.00 -1.24 -0.28 0.00 0.02 0.00 0.00 54.97 53.46 1jqb s GLU 1060Cb 0.00 -2.73 0.10 0.00 0.10 0.00 0.00 34.13 31.59 1jqb s GLU 1060CO 0.00 -0.68 0.82 0.00 0.02 0.00 0.00 175.26 175.43 1jqb s ALA 1061N 1.25 -1.79 0.03 5.21 0.00 -1.26 -1.84 121.76 123.35 1jqb s ALA 1061Ca -0.03 1.06 0.08 0.00 0.00 0.00 0.00 51.96 53.07 1jqb s ALA 1061Cb -0.19 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1jqb s ALA 1061CO -0.08 -0.59 -0.24 0.08 0.00 0.00 0.00 175.76 174.94 1jqb s VAL 1062N -2.62 2.32 0.06 0.00 1.01 -0.75 -2.63 120.40 117.79 1jqb s VAL 1062Ca 0.01 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 1jqb s VAL 1062Cb -0.01 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1jqb s VAL 1062CO -0.05 0.42 0.11 0.61 0.00 0.00 0.00 175.10 176.19 1jqb n GLY 1063N 1.89 2.17 3.38 4.51 0.00 -0.17 -0.49 105.19 116.48 1jqb n GLY 1063Ca -0.17 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 1jqb n GLY 1063CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jqb s GLU 1064N -2.05 3.26 0.06 1.61 2.12 -0.04 0.18 118.70 123.85 1jqb s GLU 1064Ca 0.03 -0.70 -0.31 0.00 0.36 0.00 0.00 54.97 54.36 1jqb s GLU 1064Cb -0.01 -2.58 -0.06 0.00 0.26 0.00 0.00 34.13 31.74 1jqb s GLU 1064CO 0.02 0.26 1.29 0.08 -0.54 0.00 0.00 175.26 176.38 1jqb s VAL 1065N 0.21 3.75 -0.18 3.70 1.01 -0.00 -1.49 120.40 127.41 1jqb s VAL 1065Ca -0.09 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.14 1jqb s VAL 1065Cb -0.15 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 1jqb s VAL 1065CO 0.05 0.07 -0.16 0.52 0.00 0.00 0.00 175.10 175.59 1jqb n VAL 1066N 4.09 1.01 -3.97 2.92 0.31 -0.22 0.36 118.33 122.83 1jqb n VAL 1066Ca 0.11 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.96 1jqb n VAL 1066Cb 0.45 -1.13 -0.11 0.00 -0.91 0.00 0.00 33.84 32.13 1jqb n VAL 1066CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1jqb s GLU 1067N -2.35 0.28 0.02 5.55 2.02 -1.09 -4.56 118.70 118.56 1jqb s GLU 1067Ca -0.24 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.22 1jqb s GLU 1067Cb 0.06 0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.37 1jqb s GLU 1067CO 0.41 -0.04 -0.04 0.14 0.02 0.00 0.00 175.26 175.74 1jqb s VAL 1068N -1.29 0.30 1.08 2.63 -7.23 -1.26 -0.51 120.40 114.11 1jqb s VAL 1068Ca -0.14 -0.58 -0.12 0.00 -1.81 0.00 0.00 61.98 59.32 1jqb s VAL 1068Cb -0.09 -0.34 0.24 0.00 0.56 0.00 0.00 36.38 36.75 1jqb s VAL 1068CO -0.01 -0.19 1.06 -0.83 -0.31 0.00 0.00 175.10 174.82 1jqb s GLY 1069N -0.83 1.57 0.40 2.32 0.00 0.67 -4.91 107.32 106.55 1jqb s GLY 1069Ca -0.06 -0.09 0.29 0.00 0.00 0.00 0.00 44.72 44.86 1jqb s GLY 1069CO -0.00 0.56 1.86 1.48 0.00 0.00 0.00 173.10 177.00 1jqb h SER 1070N -2.32 0.00 -0.06 1.64 4.64 -1.74 -2.85 113.55 112.86 1jqb h SER 1070Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1jqb h SER 1070Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1jqb h SER 1070CO 0.51 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.85 1jqb n GLU 1071N -2.62 2.32 -2.46 4.77 -0.58 0.33 -4.92 120.64 117.48 1jqb n GLU 1071Ca 0.01 -1.95 -0.43 0.00 -0.42 0.00 0.00 57.16 54.37 1jqb n GLU 1071Cb 0.23 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.61 1jqb n GLU 1071CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1jqb s VAL 1072N -1.94 4.32 -0.14 2.62 1.01 -1.08 -4.91 120.40 120.28 1jqb s VAL 1072Ca 0.29 1.61 0.11 0.00 0.00 0.00 0.00 61.98 63.99 1jqb s VAL 1072Cb 0.20 -4.04 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 1jqb s VAL 1072CO 0.30 -0.10 0.02 0.29 0.00 0.00 0.00 175.10 175.61 1jqb n LYS 1073N 6.16 1.55 0.00 2.72 4.76 -1.26 -4.70 118.16 127.39 1jqb n LYS 1073Ca 0.13 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 1jqb n LYS 1073Cb 0.45 -1.36 0.16 0.00 -1.84 0.00 0.00 35.03 32.45 1jqb n LYS 1073CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jqb n ASP 1074N -2.59 1.45 -4.15 4.39 8.00 -1.26 -4.94 116.55 117.45 1jqb n ASP 1074Ca -0.24 -1.15 -0.15 0.00 0.71 0.00 0.00 54.79 53.96 1jqb n ASP 1074Cb 0.94 0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 42.29 1jqb n ASP 1074CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jqb s PHE 1075N -2.56 1.04 0.18 1.24 0.08 -1.26 -5.05 117.98 111.65 1jqb s PHE 1075Ca 0.20 -0.56 -0.12 0.00 0.12 0.00 0.00 56.93 56.57 1jqb s PHE 1075Cb 0.18 -0.58 0.00 0.00 -0.57 0.00 0.00 43.02 42.05 1jqb s PHE 1075CO 0.58 0.01 0.36 -1.59 -0.10 0.00 0.00 175.22 174.48 1jqb s LYS 1076N -2.22 1.24 0.29 0.44 -2.85 -1.26 -4.95 119.74 110.43 1jqb s LYS 1076Ca 0.00 -1.09 -0.29 0.00 -1.00 0.00 0.00 55.97 53.59 1jqb s LYS 1076Cb -0.07 0.42 -0.13 0.00 -2.06 0.00 0.00 37.83 36.00 1jqb s LYS 1076CO 0.01 -0.48 1.31 -2.30 0.10 0.00 0.00 175.35 173.98 1jqb n PRO 1077N -0.26 2.01 0.00 1.78 -0.02 -1.26 -1.93 135.00 135.32 1jqb n PRO 1077Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1jqb n PRO 1077Cb 0.63 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1jqb n PRO 1077CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jqb n GLY 1078N 1.37 2.85 3.75 -1.23 0.00 0.16 -4.97 105.19 107.12 1jqb n GLY 1078Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1jqb n GLY 1078CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jqb s ASP 1079N -0.08 6.52 -0.13 1.61 1.01 -0.81 -4.70 116.67 120.08 1jqb s ASP 1079Ca 0.00 2.81 -0.20 0.00 0.71 0.00 0.00 52.55 55.87 1jqb s ASP 1079Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1jqb s ASP 1079CO 0.00 -0.80 0.56 -0.13 0.21 0.00 0.00 175.17 175.01 1jqb s ARG 1080N -0.54 4.32 0.07 8.23 1.81 -1.26 -0.82 118.95 130.76 1jqb s ARG 1080Ca 0.61 0.58 0.03 0.00 -1.72 0.00 0.00 55.73 55.22 1jqb s ARG 1080Cb -0.45 -3.48 -0.03 0.00 -0.45 0.00 0.00 34.95 30.54 1jqb s ARG 1080CO 0.46 0.02 -0.09 0.14 -0.68 0.00 0.00 175.30 175.16 1jqb s VAL 1081N 1.06 0.72 -0.21 3.52 -7.23 0.13 -0.93 120.40 117.45 1jqb s VAL 1081Ca 0.29 -1.45 -0.10 0.00 -1.81 0.00 0.00 61.98 58.90 1jqb s VAL 1081Cb -0.16 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 1jqb s VAL 1081CO 0.12 -0.54 0.15 -0.63 -0.31 0.00 0.00 175.10 173.89 1jqb s ILE 1082N -2.21 5.38 -0.36 -0.62 1.01 0.14 -1.00 121.20 123.54 1jqb s ILE 1082Ca 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 1jqb s ILE 1082Cb -0.04 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 39.00 1jqb s ILE 1082CO -0.01 0.40 0.13 -0.69 0.00 0.00 0.00 174.94 174.77 1jqb s VAL 1083N 0.66 3.57 0.36 2.92 1.01 -1.08 -2.72 120.40 125.13 1jqb s VAL 1083Ca 0.08 -1.45 -0.28 0.00 0.00 0.00 0.00 61.98 60.34 1jqb s VAL 1083Cb -0.12 -3.16 -0.11 0.00 0.00 0.00 0.00 36.38 33.00 1jqb s VAL 1083CO 0.01 -0.34 1.44 -2.16 0.00 0.00 0.00 175.10 174.05 1jqb s PRO 1084N 1.31 4.18 0.56 2.72 0.04 -1.26 -4.39 135.00 138.16 1jqb s PRO 1084Ca 0.01 2.48 0.24 0.00 0.04 0.00 0.00 61.00 63.76 1jqb s PRO 1084Cb -0.21 -3.00 1.58 0.00 0.04 0.00 0.00 34.50 32.92 1jqb s PRO 1084CO 0.00 -0.44 2.20 0.00 0.04 0.00 0.00 177.00 178.80 1jqb s THR 1086N -4.82 5.27 -0.64 0.00 2.01 -1.26 -4.29 115.64 111.91 1jqb s THR 1086Ca -0.05 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.67 1jqb s THR 1086Cb 0.16 -3.76 0.16 0.00 0.01 0.00 0.00 72.50 69.07 1jqb s THR 1086CO 0.60 -0.08 0.44 0.42 -0.69 0.00 0.00 174.62 175.31 1jqb s THR 1087N 1.71 2.58 0.86 -0.82 -4.23 -0.49 -1.42 115.64 113.83 1jqb s THR 1087Ca 0.06 -3.93 -0.11 0.00 -1.18 0.00 0.00 61.69 56.53 1jqb s THR 1087Cb -0.18 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.06 1jqb s THR 1087CO 0.10 -0.99 1.14 -2.84 -0.54 0.00 0.00 174.62 171.50 1jqb s PRO 1088N -1.08 1.42 -0.49 3.99 0.02 -1.22 -4.79 135.00 132.85 1jqb s PRO 1088Ca 0.24 1.50 -0.17 0.00 0.02 0.00 0.00 61.00 62.59 1jqb s PRO 1088Cb -0.08 -1.78 0.07 0.00 0.02 0.00 0.00 34.50 32.73 1jqb s PRO 1088CO -0.14 -2.33 0.51 -0.51 -0.33 0.00 0.00 177.00 174.21 1jqb s ASP 1089N -2.74 6.18 0.53 2.53 1.01 -1.26 -4.93 116.67 118.00 1jqb s ASP 1089Ca 0.67 -1.15 0.30 0.00 0.71 0.00 0.00 52.55 53.08 1jqb s ASP 1089Cb -0.22 -2.24 1.48 0.00 1.01 0.00 0.00 42.92 42.95 1jqb s ASP 1089CO 0.56 -0.77 2.06 -0.50 0.21 0.00 0.00 175.17 176.73 1jqb h TRP 1090N 8.88 0.00 -1.93 4.23 4.06 -1.95 -3.31 115.95 125.93 1jqb h TRP 1090Ca -0.28 0.00 -0.76 0.00 2.06 0.00 0.00 58.89 59.91 1jqb h TRP 1090Cb 1.10 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 29.08 1jqb h TRP 1090CO 0.69 0.10 1.59 0.54 -3.56 0.00 0.00 178.44 177.80 1jqb n ARG 1091N -3.45 3.70 -3.84 0.49 1.74 -1.26 -4.78 116.66 109.25 1jqb n ARG 1091Ca -0.01 -3.82 -0.10 0.00 -0.77 0.00 0.00 57.85 53.15 1jqb n ARG 1091Cb 0.26 -2.86 -0.08 0.00 -1.02 0.00 0.00 32.46 28.75 1jqb n ARG 1091CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jqb s SER 1092N 0.92 0.04 0.48 0.55 1.04 -1.25 -5.01 113.70 110.47 1jqb s SER 1092Ca 0.38 -0.41 0.24 0.00 0.48 0.00 0.00 55.95 56.64 1jqb s SER 1092Cb 0.05 0.30 1.19 0.00 0.10 0.00 0.00 66.02 67.66 1jqb s SER 1092CO 0.02 -0.60 1.97 -0.07 0.98 0.00 0.00 173.24 175.54 1jqb h LEU 1093N 3.29 0.00 -0.55 2.42 3.38 -1.93 -2.15 115.31 119.77 1jqb h LEU 1093Ca -0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 1jqb h LEU 1093Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1jqb h LEU 1093CO 0.50 0.19 -0.12 -0.33 0.09 0.00 0.00 178.44 178.77 1jqb h GLU 1094N 0.00 1.04 -0.63 1.13 3.07 -1.87 -0.62 114.58 116.70 1jqb h GLU 1094Ca -0.00 -0.39 -0.08 0.00 -0.50 0.00 0.00 59.36 58.38 1jqb h GLU 1094Cb 0.49 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1jqb h GLU 1094CO 0.02 1.09 0.07 0.28 -1.40 0.00 0.00 179.01 179.07 1jqb h VAL 1095N 0.92 1.26 0.00 3.13 2.07 -1.60 -0.77 116.25 121.27 1jqb h VAL 1095Ca 0.14 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1jqb h VAL 1095Cb 0.69 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1jqb h VAL 1095CO 0.05 0.40 -0.05 1.56 0.02 0.00 0.00 177.57 179.55 1jqb h GLN 1096N 0.98 0.00 -0.01 1.57 4.20 -0.95 -1.28 115.11 119.63 1jqb h GLN 1096Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1jqb h GLN 1096Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1jqb h GLN 1096CO 0.02 0.05 -0.40 0.00 -0.67 0.00 0.00 178.83 177.82 1jqb n ALA 1097N -2.19 3.39 -0.04 3.87 0.00 -0.28 -4.97 120.51 120.29 1jqb n ALA 1097Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1jqb n ALA 1097Cb 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1jqb n ALA 1097CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqb n GLY 1098N 1.40 0.98 2.64 0.00 0.00 -0.48 -5.06 105.19 104.67 1jqb n GLY 1098Ca 0.10 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1jqb n GLY 1098CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jqb s PHE 1099N -2.00 2.27 0.38 1.61 0.08 -0.41 -4.95 117.98 114.96 1jqb s PHE 1099Ca 0.00 -2.80 0.08 0.00 0.12 0.00 0.00 56.93 54.33 1jqb s PHE 1099Cb 0.00 -1.78 0.82 0.00 -0.57 0.00 0.00 43.02 41.49 1jqb s PHE 1099CO 0.00 -0.70 1.95 -0.56 -0.10 0.00 0.00 175.22 175.82 1jqb h GLN 1100N 5.57 0.65 -0.01 0.44 3.07 -1.87 -2.00 115.11 120.96 1jqb h GLN 1100Ca 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.90 1jqb h GLN 1100Cb 0.84 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 28.25 1jqb h GLN 1100CO 0.54 0.43 0.04 1.96 0.09 0.00 0.00 178.83 181.89 1jqb h GLN 1101N 0.67 0.00 -0.27 0.06 7.50 -1.92 -2.52 115.11 118.63 1jqb h GLN 1101Ca 0.32 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 59.30 1jqb h GLN 1101Cb 0.38 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.79 1jqb h GLN 1101CO -0.11 0.00 -0.39 0.72 -1.50 0.00 0.00 178.83 177.55 1jqb n HIS 1102N -3.16 0.92 -1.65 2.96 8.25 -0.75 -0.54 115.22 121.24 1jqb n HIS 1102Ca -0.03 -1.71 -0.44 0.00 -0.26 0.00 0.00 57.72 55.29 1jqb n HIS 1102Cb 0.11 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 1jqb n HIS 1102CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jqb n SER 1103N -1.05 3.90 -1.66 0.41 3.41 -0.95 -1.44 113.62 116.24 1jqb n SER 1103Ca 0.29 0.83 -0.16 0.00 -0.26 0.00 0.00 58.87 59.57 1jqb n SER 1103Cb 0.85 -1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 1jqb n SER 1103CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jqb n ASN 1104N 7.88 -4.83 0.00 4.04 3.02 -1.26 -4.19 115.26 119.92 1jqb n ASN 1104Ca 0.22 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1jqb n ASN 1104Cb 0.39 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 1jqb n ASN 1104CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jqb n GLY 1105N -1.01 4.64 3.67 7.41 0.00 -0.52 -4.88 105.19 114.49 1jqb n GLY 1105Ca -0.18 -1.23 -0.52 0.00 0.00 0.00 0.00 46.02 44.09 1jqb n GLY 1105CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1jqb n MET 1106N -1.91 1.56 -0.79 1.61 1.56 -1.26 -0.21 117.12 117.68 1jqb n MET 1106Ca 0.00 0.57 0.00 0.00 -0.27 0.00 0.00 57.70 58.00 1jqb n MET 1106Cb 0.00 -2.29 0.00 0.00 2.15 0.00 0.00 33.22 33.08 1jqb n MET 1106CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1jqb n LEU 1107N 4.59 0.88 0.00 -0.89 4.77 -1.25 -4.82 117.00 120.28 1jqb n LEU 1107Ca 0.22 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1jqb n LEU 1107Cb 0.21 -1.81 0.24 0.00 -2.33 0.00 0.00 43.42 39.73 1jqb n LEU 1107CO 0.71 -0.67 0.66 0.00 -1.33 0.00 0.00 177.39 176.77 1jqb n ALA 1108N 1.00 1.52 0.16 -1.18 0.00 0.70 -1.69 120.51 121.03 1jqb n ALA 1108Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1jqb n ALA 1108Cb 0.23 -1.18 0.25 0.00 0.00 0.00 0.00 19.45 18.75 1jqb n ALA 1108CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jqb h GLY 1109N 1.86 0.00 -7.24 0.00 0.00 -0.98 -3.39 103.07 93.31 1jqb h GLY 1109Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 1jqb h GLY 1109CO 0.00 0.00 -0.02 0.86 0.00 0.00 0.00 176.54 177.38 1jqb s TRP 1110N -3.55 3.09 -0.27 5.60 -0.00 -0.68 -1.40 118.94 121.73 1jqb s TRP 1110Ca -0.00 -0.61 -0.12 0.00 -0.00 0.00 0.00 56.10 55.37 1jqb s TRP 1110Cb 0.11 -3.47 -0.13 0.00 -0.00 0.00 0.00 33.47 29.99 1jqb s TRP 1110CO 0.72 -0.99 -0.32 1.63 -0.00 0.00 0.00 176.95 178.00 1jqb n LYS 1111N 5.99 0.60 -1.65 5.86 5.02 -1.26 -4.61 118.16 128.10 1jqb n LYS 1111Ca -0.08 0.26 -0.48 0.00 -2.02 0.00 0.00 58.31 55.99 1jqb n LYS 1111Cb 0.45 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 1jqb n LYS 1111CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jqb n PHE 1112N -4.14 2.24 -0.76 2.13 3.72 -1.26 -1.20 117.46 118.18 1jqb n PHE 1112Ca -0.53 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 1jqb n PHE 1112Cb 0.89 -2.66 0.00 0.00 -0.94 0.00 0.00 39.48 36.77 1jqb n PHE 1112CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jqb n SER 1113N 7.37 0.00 -0.08 4.37 2.88 -0.38 -4.57 113.62 123.22 1jqb n SER 1113Ca 0.25 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.72 1jqb n SER 1113Cb 0.30 -0.51 -0.02 0.00 -0.75 0.00 0.00 64.21 63.23 1jqb n SER 1113CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1jqb n ASN 1114N 0.00 1.72 0.00 -3.46 5.15 -0.36 -4.89 115.26 113.42 1jqb n ASN 1114Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1jqb n ASN 1114Cb 0.00 -0.76 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1jqb n ASN 1114CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1jqb n PHE 1115N -4.33 0.00 -4.65 1.20 1.16 -0.78 -5.07 117.46 105.00 1jqb n PHE 1115Ca -0.10 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.17 1jqb n PHE 1115Cb 0.38 0.01 -0.12 0.00 -1.61 0.00 0.00 39.48 38.14 1jqb n PHE 1115CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1jqb s LYS 1116N 0.00 2.16 0.18 3.97 2.20 -0.34 -5.05 119.74 122.86 1jqb s LYS 1116Ca 0.00 -0.93 -0.33 0.00 -0.36 0.00 0.00 55.97 54.35 1jqb s LYS 1116Cb 0.00 -2.24 -0.15 0.00 -1.51 0.00 0.00 37.83 33.94 1jqb s LYS 1116CO 0.00 0.55 1.39 -0.25 -0.36 0.00 0.00 175.35 176.68 1jqb n ASP 1117N 1.59 2.36 -2.51 1.43 8.00 -1.26 -1.25 116.55 124.91 1jqb n ASP 1117Ca -0.16 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.46 1jqb n ASP 1117Cb 0.52 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1jqb n ASP 1117CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jqb n GLY 1118N 2.49 -1.00 0.26 0.44 0.00 0.25 -4.58 105.19 103.05 1jqb n GLY 1118Ca 0.15 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.66 1jqb n GLY 1118CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jqb n VAL 1119N -1.04 0.00 -0.99 1.61 0.24 -0.28 -4.27 118.33 113.60 1jqb n VAL 1119Ca 0.00 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 1jqb n VAL 1119Cb 0.00 0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.50 1jqb n VAL 1119CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1jqb n PHE 1120N -0.51 0.43 -4.20 6.34 3.72 -0.27 -4.79 117.46 118.18 1jqb n PHE 1120Ca 0.16 -1.53 -0.12 0.00 -0.05 0.00 0.00 57.45 55.91 1jqb n PHE 1120Cb 0.31 -1.30 -0.10 0.00 -0.94 0.00 0.00 39.48 37.45 1jqb n PHE 1120CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jqb s GLY 1121N 1.54 0.98 0.52 1.37 0.00 -1.26 -0.82 107.32 109.65 1jqb s GLY 1121Ca 0.50 -1.46 0.21 0.00 0.00 0.00 0.00 44.72 43.96 1jqb s GLY 1121CO -0.04 -1.48 2.07 0.83 0.00 0.00 0.00 173.10 174.47 1jqb h GLU 1122N 2.84 0.00 -3.25 2.90 5.08 -1.79 -3.42 114.58 116.95 1jqb h GLU 1122Ca -0.36 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.87 1jqb h GLU 1122Cb 1.18 -0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 1jqb h GLU 1122CO 0.63 0.00 -0.38 0.71 -1.00 0.00 0.00 179.01 178.98 1jqb s TYR 1123N -5.04 -0.09 0.07 4.33 2.02 -1.26 -4.35 117.35 113.02 1jqb s TYR 1123Ca -0.05 0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.78 1jqb s TYR 1123Cb 0.18 0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.74 1jqb s TYR 1123CO 0.70 -0.32 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.73 1jqb s PHE 1124N -1.23 0.64 -0.18 2.71 -0.12 0.35 -4.85 117.98 115.29 1jqb s PHE 1124Ca -0.13 -1.02 -0.09 0.00 -0.05 0.00 0.00 56.93 55.65 1jqb s PHE 1124Cb -0.06 -0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 1jqb s PHE 1124CO 0.03 -0.31 0.10 -1.58 -0.05 0.00 0.00 175.22 173.41 1jqb s HIS 1125N -3.82 3.37 -0.25 3.49 5.65 -1.26 -1.03 115.29 121.44 1jqb s HIS 1125Ca 0.08 0.26 -0.01 0.00 0.25 0.00 0.00 55.06 55.64 1jqb s HIS 1125Cb 0.07 -2.10 0.03 0.00 -1.18 0.00 0.00 32.58 29.40 1jqb s HIS 1125CO -0.08 0.29 -0.07 0.08 -0.65 0.00 0.00 174.74 174.31 1jqb s VAL 1126N 0.18 2.73 0.31 0.89 1.01 -0.57 -5.01 120.40 119.94 1jqb s VAL 1126Ca 0.07 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 1jqb s VAL 1126Cb -0.12 -2.42 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 1jqb s VAL 1126CO -0.01 0.16 1.14 0.54 0.00 0.00 0.00 175.10 176.94 1jqb s ASN 1127N 1.28 7.07 -0.65 3.32 4.22 -1.26 -2.07 114.94 126.84 1jqb s ASN 1127Ca -0.01 2.34 -0.11 0.00 -2.14 0.00 0.00 52.86 52.94 1jqb s ASN 1127Cb -0.17 -2.63 0.02 0.00 1.28 0.00 0.00 41.25 39.75 1jqb s ASN 1127CO -0.05 -0.29 0.64 -0.67 -2.04 0.00 0.00 177.10 174.69 1jqb n ASP 1128N 0.92 -6.36 -0.17 3.54 -0.08 -1.20 -4.53 116.55 108.67 1jqb n ASP 1128Ca -0.00 -0.28 -0.02 0.00 -1.51 0.00 0.00 54.79 52.98 1jqb n ASP 1128Cb 0.45 -3.35 0.05 0.00 2.34 0.00 0.00 41.12 40.61 1jqb n ASP 1128CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jqb h ALA 1129N 1.35 0.42 0.00 -1.67 0.00 -0.83 -0.02 119.26 118.51 1jqb h ALA 1129Ca -0.33 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1jqb h ALA 1129Cb 1.22 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1jqb h ALA 1129CO 0.29 -0.42 -0.11 -0.44 0.00 0.00 0.00 179.25 178.57 1jqb h ASP 1130N 0.05 0.00 0.45 0.00 3.32 -1.91 -2.50 116.42 115.84 1jqb h ASP 1130Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1jqb h ASP 1130Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1jqb h ASP 1130CO -0.49 0.11 -1.32 0.23 -1.72 0.00 0.00 179.24 176.05 1jqb n MET 1131N -4.20 0.49 -0.08 3.56 2.81 -0.69 -4.56 117.12 114.45 1jqb n MET 1131Ca -0.03 -0.03 0.07 0.00 -1.81 0.00 0.00 57.70 55.90 1jqb n MET 1131Cb 0.19 -1.64 0.09 0.00 -0.71 0.00 0.00 33.22 31.16 1jqb n MET 1131CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jqb n ASN 1132N -2.26 2.05 -4.28 7.83 3.02 -0.11 -0.25 115.26 121.27 1jqb n ASN 1132Ca -0.00 -2.70 -0.16 0.00 -0.03 0.00 0.00 54.58 51.68 1jqb n ASN 1132Cb 0.51 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 39.28 1jqb n ASN 1132CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jqb s LEU 1133N -2.16 2.52 -0.00 3.41 1.43 -0.96 -4.36 118.68 118.55 1jqb s LEU 1133Ca 0.21 -0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1jqb s LEU 1133Cb 0.19 -0.48 -0.00 0.00 0.03 0.00 0.00 46.19 45.92 1jqb s LEU 1133CO 0.02 -0.25 0.01 0.00 0.23 0.00 0.00 176.35 176.36 1jqb s ALA 1134N -3.05 -0.02 0.27 4.21 0.00 -1.10 -4.50 121.76 117.57 1jqb s ALA 1134Ca 0.17 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1jqb s ALA 1134Cb 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 23.12 23.03 1jqb s ALA 1134CO 0.03 -0.03 1.28 0.42 0.00 0.00 0.00 175.76 177.46 1jqb s ILE 1135N -0.18 3.03 -0.19 0.00 -1.09 -1.26 0.25 121.20 121.77 1jqb s ILE 1135Ca -0.02 0.95 -0.26 0.00 -2.23 0.00 0.00 60.65 59.09 1jqb s ILE 1135Cb -0.01 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1jqb s ILE 1135CO -0.00 0.19 0.86 -0.22 -1.23 0.00 0.00 174.94 174.54 1jqb s LEU 1136N -1.01 4.14 0.32 2.97 2.96 -0.11 -4.66 118.68 123.29 1jqb s LEU 1136Ca 0.52 1.18 -0.29 0.00 -0.22 0.00 0.00 54.13 55.31 1jqb s LEU 1136Cb -0.37 -3.27 -0.12 0.00 0.50 0.00 0.00 46.19 42.93 1jqb s LEU 1136CO 0.45 -0.46 1.51 -2.65 -1.32 0.00 0.00 176.35 173.87 1jqb n PRO 1137N 5.55 2.55 -0.15 0.98 -0.02 -1.26 -4.86 135.00 137.79 1jqb n PRO 1137Ca 0.06 0.90 0.20 0.00 -2.02 0.00 0.00 63.50 62.64 1jqb n PRO 1137Cb 0.48 -2.63 0.59 0.00 -0.02 0.00 0.00 33.50 31.92 1jqb n PRO 1137CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1jqb h LYS 1138N 3.91 0.24 -0.36 -0.52 3.64 -1.98 -1.91 116.57 119.58 1jqb h LYS 1138Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1jqb h LYS 1138Cb 1.24 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1jqb h LYS 1138CO 0.72 0.16 0.00 -0.25 -2.27 0.00 0.00 179.45 177.81 1jqb n ASP 1139N -4.43 3.08 -4.65 4.20 8.00 -1.26 -4.93 116.55 116.55 1jqb n ASP 1139Ca 0.15 -1.94 -0.41 0.00 0.71 0.00 0.00 54.79 53.30 1jqb n ASP 1139Cb 0.67 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 1jqb n ASP 1139CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1jqb s MET 1140N -1.53 4.23 0.23 -1.24 1.75 -0.72 -5.01 119.30 117.01 1jqb s MET 1140Ca 0.38 0.91 -0.31 0.00 -1.25 0.00 0.00 55.69 55.42 1jqb s MET 1140Cb 0.22 -3.61 -0.14 0.00 2.84 0.00 0.00 34.83 34.14 1jqb s MET 1140CO 0.30 -0.41 1.39 -2.30 -0.65 0.00 0.00 175.02 173.35 1jqb n PRO 1141N 5.58 1.96 -0.27 4.11 -0.02 -1.26 -4.84 135.00 140.26 1jqb n PRO 1141Ca 0.04 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.21 1jqb n PRO 1141Cb 0.48 -2.34 0.11 0.00 -0.02 0.00 0.00 33.50 31.73 1jqb n PRO 1141CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jqb h LEU 1142N 4.14 0.73 -1.36 2.45 3.38 -1.97 -1.87 115.31 120.81 1jqb h LEU 1142Ca -0.45 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1jqb h LEU 1142Cb 1.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1jqb h LEU 1142CO 0.75 0.48 0.07 -0.33 0.09 0.00 0.00 178.44 179.50 1jqb h GLU 1143N 0.87 0.50 -0.12 1.13 3.07 -1.99 -2.08 114.58 115.97 1jqb h GLU 1143Ca 0.33 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 1jqb h GLU 1143Cb 0.12 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1jqb h GLU 1143CO -0.15 0.48 -0.13 -0.91 -1.40 0.00 0.00 179.01 176.89 1jqb h ASN 1144N 0.49 0.32 -0.91 1.42 4.21 -1.76 -3.21 115.58 116.15 1jqb h ASN 1144Ca 0.12 -0.49 0.07 0.00 1.21 0.00 0.00 56.30 57.21 1jqb h ASN 1144Cb 0.21 -0.09 -0.06 0.00 -1.12 0.00 0.00 38.32 37.26 1jqb h ASN 1144CO -0.00 0.75 0.59 0.00 -1.29 0.00 0.00 177.43 177.47 1jqb h ALA 1145N 0.58 1.53 -0.08 -0.83 0.00 -0.97 -1.29 119.26 118.21 1jqb h ALA 1145Ca 0.02 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jqb h ALA 1145Cb 0.66 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jqb h ALA 1145CO 0.03 0.32 0.06 0.28 0.00 0.00 0.00 179.25 179.94 1jqb h VAL 1146N 1.00 0.91 0.00 0.00 2.07 -1.39 -1.29 116.25 117.56 1jqb h VAL 1146Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 1jqb h VAL 1146Cb 0.24 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1jqb h VAL 1146CO -0.15 0.00 0.00 0.24 0.02 0.00 0.00 177.57 177.68 1jqb h MET 1147N 0.00 0.00 -0.11 1.57 2.07 -1.28 -3.02 114.93 114.16 1jqb h MET 1147Ca 0.04 0.00 -0.22 0.00 -2.07 0.00 0.00 59.70 57.45 1jqb h MET 1147Cb 0.16 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.90 1jqb h MET 1147CO -0.00 0.00 -0.81 0.82 1.07 0.00 0.00 176.91 177.99 1jqb h ILE 1148N 0.00 1.31 -0.15 -1.22 2.04 -1.31 -1.05 117.51 117.12 1jqb h ILE 1148Ca 0.00 -2.07 0.04 0.00 1.00 0.00 0.00 64.86 63.84 1jqb h ILE 1148Cb 0.46 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1jqb h ILE 1148CO 0.00 0.64 0.16 0.71 0.00 0.00 0.00 178.15 179.66 1jqb h THR 1149N 0.45 0.54 0.00 -0.27 1.35 -1.63 -3.25 112.91 110.09 1jqb h THR 1149Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1jqb h THR 1149Cb 1.43 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1jqb h THR 1149CO 0.16 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.76 1jqb n ASP 1150N -3.91 -0.59 0.11 5.36 2.03 -1.25 -1.24 116.55 117.05 1jqb n ASP 1150Ca 0.01 0.34 -0.13 0.00 0.52 0.00 0.00 54.79 55.53 1jqb n ASP 1150Cb 0.28 0.70 -0.06 0.00 -0.72 0.00 0.00 41.12 41.32 1jqb n ASP 1150CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1jqb h MET 1151N 0.00 -0.28 -0.22 -0.67 2.86 -1.77 -0.12 114.93 114.72 1jqb h MET 1151Ca 0.00 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1jqb h MET 1151Cb 0.00 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1jqb h MET 1151CO 0.00 -0.19 -0.05 1.98 1.06 0.00 0.00 176.91 179.71 1jqb h MET 1152N -0.29 0.43 -0.25 1.72 1.85 -1.37 -0.57 114.93 116.45 1jqb h MET 1152Ca 0.01 -0.16 -0.08 0.00 -0.61 0.00 0.00 59.70 58.85 1jqb h MET 1152Cb 0.28 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.27 1jqb h MET 1152CO -0.04 0.66 -0.19 0.00 -0.40 0.00 0.00 176.91 176.94 1jqb h THR 1153N 0.16 1.24 0.08 -0.77 1.03 -1.59 -1.02 112.91 112.05 1jqb h THR 1153Ca 0.06 -1.12 -0.00 0.00 -0.01 0.00 0.00 66.41 65.33 1jqb h THR 1153Cb 0.50 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1jqb h THR 1153CO 0.02 0.36 -0.04 0.74 -0.01 0.00 0.00 175.52 176.59 1jqb h THR 1154N 0.41 1.16 -0.80 0.00 2.02 -0.95 -1.79 112.91 112.95 1jqb h THR 1154Ca 0.07 -1.39 0.02 0.00 0.77 0.00 0.00 66.41 65.88 1jqb h THR 1154Cb 0.57 1.98 -0.05 0.00 -1.74 0.00 0.00 68.15 68.92 1jqb h THR 1154CO 0.04 0.31 0.52 1.23 0.37 0.00 0.00 175.52 177.99 1jqb h GLY 1155N -0.80 1.15 1.78 2.16 0.00 -1.10 -1.49 103.07 104.78 1jqb h GLY 1155Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1jqb h GLY 1155CO 0.02 0.36 -0.28 0.74 0.00 0.00 0.00 176.54 177.38 1jqb h PHE 1156N 1.03 0.28 -0.22 5.60 -1.00 -1.26 -2.29 116.94 119.08 1jqb h PHE 1156Ca 0.31 -0.05 -0.10 0.00 2.81 0.00 0.00 57.97 60.94 1jqb h PHE 1156Cb -0.03 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 1jqb h PHE 1156CO -0.02 0.51 -0.28 1.25 -1.61 0.00 0.00 178.31 178.16 1jqb h HIS 1157N 0.23 0.48 -0.79 -0.55 2.76 -0.39 -0.37 115.15 116.51 1jqb h HIS 1157Ca 0.03 -0.10 0.01 0.00 -2.20 0.00 0.00 60.37 58.11 1jqb h HIS 1157Cb 0.61 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 1jqb h HIS 1157CO 0.01 0.67 0.52 0.78 -1.30 0.00 0.00 177.93 178.61 1jqb h GLY 1158N 1.04 1.12 1.63 5.26 0.00 -0.73 0.64 103.07 112.03 1jqb h GLY 1158Ca 0.05 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1jqb h GLY 1158CO 0.05 0.39 -0.55 0.00 0.00 0.00 0.00 176.54 176.43 1jqb h ALA 1159N 1.30 0.81 0.03 3.60 0.00 -1.20 -2.31 119.26 121.49 1jqb h ALA 1159Ca 0.30 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jqb h ALA 1159Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1jqb h ALA 1159CO -0.07 0.69 -0.02 0.93 0.00 0.00 0.00 179.25 180.78 1jqb h GLU 1160N 0.30 -0.04 0.00 0.00 5.08 -0.47 -2.85 114.58 116.59 1jqb h GLU 1160Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1jqb h GLU 1160Cb 1.06 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1jqb h GLU 1160CO 0.09 0.31 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.22 1jqb h LEU 1161N -0.39 0.00 -0.41 1.33 3.38 -0.91 -1.44 115.31 116.86 1jqb h LEU 1161Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jqb h LEU 1161Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1jqb h LEU 1161CO 0.01 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1jqb n ALA 1162N -2.45 1.48 -3.90 1.53 0.00 -0.87 -4.89 120.51 111.41 1jqb n ALA 1162Ca -0.03 0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1jqb n ALA 1162Cb 0.19 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.41 1jqb n ALA 1162CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jqb n ASP 1163N -1.83 -3.98 -4.77 0.00 2.03 -0.54 -4.83 116.55 102.62 1jqb n ASP 1163Ca 0.02 -1.15 -0.39 0.00 0.52 0.00 0.00 54.79 53.79 1jqb n ASP 1163Cb 0.15 -2.56 -0.02 0.00 -0.72 0.00 0.00 41.12 37.96 1jqb n ASP 1163CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jqb s ILE 1164N -3.59 3.04 0.23 5.18 1.01 -1.26 -5.05 121.20 120.75 1jqb s ILE 1164Ca 0.41 0.93 0.08 0.00 0.00 0.00 0.00 60.65 62.07 1jqb s ILE 1164Cb -0.18 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1jqb s ILE 1164CO 0.92 0.13 0.05 -1.61 0.00 0.00 0.00 174.94 174.43 1jqb s GLU 1165N -2.10 2.50 -0.17 2.79 2.02 -1.26 -4.92 118.70 117.55 1jqb s GLU 1165Ca 0.54 -1.21 -0.31 0.00 0.02 0.00 0.00 54.97 54.02 1jqb s GLU 1165Cb -0.33 -2.34 -0.08 0.00 0.10 0.00 0.00 34.13 31.48 1jqb s GLU 1165CO 0.43 0.41 2.12 -1.33 0.02 0.00 0.00 175.26 176.91 1jqb n MET 1166N -0.66 2.01 -0.33 1.61 2.81 -1.26 -0.79 117.12 120.51 1jqb n MET 1166Ca -0.08 0.63 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 1jqb n MET 1166Cb 0.57 -2.98 0.00 0.00 -0.71 0.00 0.00 33.22 30.11 1jqb n MET 1166CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jqb n GLY 1167N 5.47 0.78 3.74 3.03 0.00 0.93 -4.94 105.19 114.20 1jqb n GLY 1167Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 1jqb n GLY 1167CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jqb s SER 1168N -2.32 4.69 -0.13 1.61 0.01 0.03 -4.04 113.70 113.56 1jqb s SER 1168Ca 0.00 2.45 -0.14 0.00 1.31 0.00 0.00 55.95 59.58 1jqb s SER 1168Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1jqb s SER 1168CO 0.00 -1.93 0.31 -0.94 0.41 0.00 0.00 173.24 171.09 1jqb s SER 1169N -1.68 6.51 -0.03 2.44 1.04 -1.26 -0.71 113.70 120.02 1jqb s SER 1169Ca 0.78 0.60 0.02 0.00 0.48 0.00 0.00 55.95 57.84 1jqb s SER 1169Cb -0.32 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1jqb s SER 1169CO 0.39 0.16 -0.09 -0.69 0.98 0.00 0.00 173.24 173.99 1jqb s VAL 1170N 0.07 0.78 -0.15 5.02 1.01 0.42 -1.29 120.40 126.26 1jqb s VAL 1170Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1jqb s VAL 1170Cb -0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1jqb s VAL 1170CO 0.06 0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 1jqb s VAL 1171N 0.22 3.19 -0.32 2.92 1.01 -0.43 -0.05 120.40 126.94 1jqb s VAL 1171Ca -0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1jqb s VAL 1171Cb -0.09 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1jqb s VAL 1171CO 0.01 0.50 0.08 -0.69 0.00 0.00 0.00 175.10 175.00 1jqb s VAL 1172N 0.60 3.72 -0.52 2.92 1.01 0.59 -0.27 120.40 128.45 1jqb s VAL 1172Ca -0.06 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 1jqb s VAL 1172Cb -0.15 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.22 1jqb s VAL 1172CO 0.03 -0.08 0.94 -0.63 0.00 0.00 0.00 175.10 175.36 1jqb s ILE 1173N 1.41 4.41 0.00 2.22 1.01 0.34 -1.41 121.20 129.18 1jqb s ILE 1173Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1jqb s ILE 1173Cb -0.19 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.78 1jqb s ILE 1173CO 0.02 -1.01 0.00 0.61 0.00 0.00 0.00 174.94 174.56 1jqb n GLY 1174N 5.05 2.22 2.05 6.18 0.00 -0.86 -0.56 105.19 119.27 1jqb n GLY 1174Ca 0.04 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 1jqb n GLY 1174CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jqb n ILE 1175N 2.00 2.55 -1.93 -0.61 -5.35 -1.21 -4.09 119.36 110.71 1jqb n ILE 1175Ca 0.00 -4.23 -0.24 0.00 -0.27 0.00 0.00 62.75 58.01 1jqb n ILE 1175Cb 0.00 -1.15 0.16 0.00 -1.74 0.00 0.00 39.64 36.91 1jqb n ILE 1175CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jqb n GLY 1176N -0.70 -1.04 0.34 3.28 0.00 -1.26 -4.49 105.19 101.32 1jqb n GLY 1176Ca 0.44 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.80 1jqb n GLY 1176CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb h ALA 1177N -1.58 0.96 -0.43 4.61 0.00 -1.95 0.15 119.26 121.01 1jqb h ALA 1177Ca -0.35 0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1jqb h ALA 1177Cb 1.01 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1jqb h ALA 1177CO 0.27 -0.49 0.13 0.28 0.00 0.00 0.00 179.25 179.44 1jqb h VAL 1178N 0.02 1.22 -0.29 0.00 2.07 -1.91 -1.58 116.25 115.77 1jqb h VAL 1178Ca 0.53 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1jqb h VAL 1178Cb 1.01 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1jqb h VAL 1178CO -0.91 0.26 -0.08 1.23 0.02 0.00 0.00 177.57 178.09 1jqb h GLY 1179N 0.56 0.51 1.04 2.17 0.00 -0.96 -0.26 103.07 106.13 1jqb h GLY 1179Ca 0.14 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1jqb h GLY 1179CO -0.00 0.31 -0.02 1.41 0.00 0.00 0.00 176.54 178.23 1jqb h LEU 1180N 0.45 0.93 -1.03 3.11 3.38 -0.60 0.52 115.31 122.07 1jqb h LEU 1180Ca 0.09 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1jqb h LEU 1180Cb 0.42 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1jqb h LEU 1180CO 0.02 1.02 -0.21 0.24 0.09 0.00 0.00 178.44 179.61 1jqb h MET 1181N 0.81 0.00 -0.33 1.13 2.86 -0.97 -0.53 114.93 117.90 1jqb h MET 1181Ca 0.15 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.64 1jqb h MET 1181Cb 0.56 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1jqb h MET 1181CO 0.03 0.21 -0.36 0.78 1.06 0.00 0.00 176.91 178.63 1jqb h GLY 1182N 2.25 0.90 0.90 8.32 0.00 -0.10 0.59 103.07 115.92 1jqb h GLY 1182Ca -0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.36 1jqb h GLY 1182CO 0.03 0.84 0.08 -2.22 0.00 0.00 0.00 176.54 175.26 1jqb h ILE 1183N 0.60 1.22 -0.42 2.60 2.04 -0.49 0.16 117.51 123.22 1jqb h ILE 1183Ca 0.05 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1jqb h ILE 1183Cb 0.94 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1jqb h ILE 1183CO 0.09 0.24 0.21 0.00 0.00 0.00 0.00 178.15 178.69 1jqb h ALA 1184N 0.91 0.55 -0.50 1.87 0.00 -1.04 -2.13 119.26 118.92 1jqb h ALA 1184Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1jqb h ALA 1184Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jqb h ALA 1184CO 0.00 0.10 0.11 0.78 0.00 0.00 0.00 179.25 180.24 1jqb h GLY 1185N 0.55 0.82 0.89 0.00 0.00 -0.72 -1.49 103.07 103.12 1jqb h GLY 1185Ca 0.15 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1jqb h GLY 1185CO -0.02 0.44 0.07 0.00 0.00 0.00 0.00 176.54 177.03 1jqb h ALA 1186N 1.39 0.39 -0.78 3.60 0.00 -0.69 -2.22 119.26 120.94 1jqb h ALA 1186Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jqb h ALA 1186Cb 0.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1jqb h ALA 1186CO -0.00 0.05 0.44 -0.22 0.00 0.00 0.00 179.25 179.52 1jqb h LYS 1187N 0.31 1.07 0.00 0.00 3.64 -1.20 -0.42 116.57 119.97 1jqb h LYS 1187Ca 0.09 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jqb h LYS 1187Cb 0.30 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1jqb h LYS 1187CO 0.00 0.77 0.00 1.28 -2.27 0.00 0.00 179.45 179.23 1jqb n LEU 1188N -4.36 0.00 0.00 5.20 4.77 -0.58 -1.89 117.00 120.14 1jqb n LEU 1188Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1jqb n LEU 1188Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1jqb n LEU 1188CO 0.38 0.00 0.42 0.54 -1.33 0.00 0.00 177.39 177.40 1jqb n ARG 1189N -0.53 1.71 -0.13 3.23 5.12 -0.23 -4.99 116.66 120.85 1jqb n ARG 1189Ca 0.01 -1.17 0.00 0.00 -1.93 0.00 0.00 57.85 54.76 1jqb n ARG 1189Cb 0.01 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 1jqb n ARG 1189CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jqb n GLY 1190N -0.34 0.85 3.66 -0.13 0.00 -0.79 -4.46 105.19 103.98 1jqb n GLY 1190Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1jqb n GLY 1190CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n ALA 1191N -1.61 0.77 -1.61 4.61 0.00 -0.83 -0.05 120.51 121.79 1jqb n ALA 1191Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1jqb n ALA 1191Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1jqb n ALA 1191CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqb n GLY 1192N 1.00 0.60 3.72 0.00 0.00 0.11 -4.66 105.19 105.96 1jqb n GLY 1192Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1jqb n GLY 1192CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jqb s ARG 1193N 0.08 4.56 -0.21 1.61 3.52 -1.23 -4.93 118.95 122.35 1jqb s ARG 1193Ca 0.00 1.54 -0.01 0.00 -0.13 0.00 0.00 55.73 57.13 1jqb s ARG 1193Cb 0.00 -3.40 0.06 0.00 -1.56 0.00 0.00 34.95 30.05 1jqb s ARG 1193CO 0.00 -0.03 -0.01 0.42 -0.81 0.00 0.00 175.30 174.86 1jqb s ILE 1194N 0.68 1.05 -0.37 4.11 1.01 -1.26 -0.44 121.20 125.99 1jqb s ILE 1194Ca 0.52 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 1jqb s ILE 1194Cb -0.24 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 1jqb s ILE 1194CO 0.29 -0.14 0.31 -0.63 0.00 0.00 0.00 174.94 174.78 1jqb s ILE 1195N 1.62 5.22 0.03 2.92 1.01 0.93 -0.40 121.20 132.53 1jqb s ILE 1195Ca -0.03 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1jqb s ILE 1195Cb -0.18 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 1jqb s ILE 1195CO -0.07 -0.16 0.44 -0.83 0.00 0.00 0.00 174.94 174.33 1jqb s GLY 1196N 1.73 2.51 -0.32 6.18 0.00 -0.14 -0.30 107.32 116.98 1jqb s GLY 1196Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.60 1jqb s GLY 1196CO 0.11 0.18 0.03 0.14 0.00 0.00 0.00 173.10 173.56 1jqb s VAL 1197N -1.13 3.10 -0.04 1.40 1.01 -0.50 -1.05 120.40 123.19 1jqb s VAL 1197Ca 0.26 -1.43 -0.31 0.00 0.00 0.00 0.00 61.98 60.50 1jqb s VAL 1197Cb -0.17 -2.82 0.13 0.00 0.00 0.00 0.00 36.38 33.52 1jqb s VAL 1197CO 0.15 -0.18 1.33 -0.83 0.00 0.00 0.00 175.10 175.57 1jqb s GLY 1198N 1.32 -0.44 0.00 4.51 0.00 -0.38 -2.02 107.32 110.31 1jqb s GLY 1198Ca -0.03 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1jqb s GLY 1198CO -0.01 0.14 0.00 -1.14 0.00 0.00 0.00 173.10 172.09 1jqb n SER 1199N -0.49 2.36 -4.53 1.64 3.41 -1.26 -4.31 113.62 110.44 1jqb n SER 1199Ca -0.09 0.00 -0.50 0.00 -0.26 0.00 0.00 58.87 58.02 1jqb n SER 1199Cb 0.63 0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 64.84 1jqb n SER 1199CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jqb n ARG 1200N -1.03 1.39 -0.33 4.33 0.63 -1.26 -4.80 116.66 115.58 1jqb n ARG 1200Ca 0.00 0.42 -0.04 0.00 -0.92 0.00 0.00 57.85 57.31 1jqb n ARG 1200Cb 0.15 -2.57 -0.01 0.00 0.45 0.00 0.00 32.46 30.48 1jqb n ARG 1200CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1jqb n PRO 1201N 7.79 -0.26 -0.00 -0.14 -0.02 -1.26 -0.63 135.00 140.48 1jqb n PRO 1201Ca 0.35 1.29 -0.01 0.00 -2.02 0.00 0.00 63.50 63.11 1jqb n PRO 1201Cb 0.26 -1.90 0.26 0.00 -0.02 0.00 0.00 33.50 32.10 1jqb n PRO 1201CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1jqb h ILE 1202N 0.00 1.22 -0.24 4.25 6.09 -1.89 -2.58 117.51 124.35 1jqb h ILE 1202Ca 0.24 -0.93 -0.19 0.00 -1.37 0.00 0.00 64.86 62.60 1jqb h ILE 1202Cb 0.45 1.05 0.00 0.00 0.47 0.00 0.00 36.82 38.79 1jqb h ILE 1202CO -0.82 0.31 -0.61 0.00 -3.07 0.00 0.00 178.15 173.96 1jqb h VAL 1204N 0.60 1.14 -0.30 0.00 2.07 -0.62 0.60 116.25 119.74 1jqb h VAL 1204Ca -0.00 -0.38 -0.18 0.00 0.82 0.00 0.00 66.70 66.96 1jqb h VAL 1204Cb 1.22 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1jqb h VAL 1204CO 0.13 0.20 -0.51 -0.33 0.02 0.00 0.00 177.57 177.08 1jqb h GLU 1205N 1.11 0.85 -0.56 1.57 4.39 -1.41 -2.62 114.58 117.91 1jqb h GLU 1205Ca 0.36 -0.52 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 1jqb h GLU 1205Cb 0.01 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1jqb h GLU 1205CO -0.12 1.15 -0.02 0.00 -1.16 0.00 0.00 179.01 178.87 1jqb h ALA 1206N 0.75 0.91 -0.23 3.43 0.00 -1.04 -1.59 119.26 121.48 1jqb h ALA 1206Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1jqb h ALA 1206Cb 1.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1jqb h ALA 1206CO 0.11 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.16 1jqb h ALA 1207N 1.07 0.29 -0.53 0.00 0.00 -0.81 0.18 119.26 119.46 1jqb h ALA 1207Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1jqb h ALA 1207Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1jqb h ALA 1207CO 0.03 -0.23 0.14 0.87 0.00 0.00 0.00 179.25 180.06 1jqb h LYS 1208N 0.31 0.81 -0.74 0.00 1.57 -1.35 -0.06 116.57 117.11 1jqb h LYS 1208Ca 0.08 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1jqb h LYS 1208Cb -0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1jqb h LYS 1208CO -0.02 0.72 0.30 0.35 -0.57 0.00 0.00 179.45 180.23 1jqb h PHE 1209N 0.78 1.10 0.00 -1.35 3.57 -0.38 -2.70 116.94 117.97 1jqb h PHE 1209Ca 0.18 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1jqb h PHE 1209Cb 0.27 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1jqb h PHE 1209CO 0.02 0.83 -0.03 0.66 -2.23 0.00 0.00 178.31 177.56 1jqb n TYR 1210N -4.29 0.00 0.00 0.41 4.01 0.54 -4.89 117.16 112.94 1jqb n TYR 1210Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1jqb n TYR 1210Cb 0.18 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 1jqb n TYR 1210CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jqb n GLY 1211N 1.50 0.26 3.73 2.72 0.00 -0.79 -3.96 105.19 108.65 1jqb n GLY 1211Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1jqb n GLY 1211CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb s ALA 1212N -0.15 3.83 -0.22 4.61 0.00 -0.11 -4.63 121.76 125.09 1jqb s ALA 1212Ca 0.00 1.49 0.21 0.00 0.00 0.00 0.00 51.96 53.66 1jqb s ALA 1212Cb 0.00 -3.65 -0.31 0.00 0.00 0.00 0.00 23.12 19.16 1jqb s ALA 1212CO 0.00 -0.86 0.55 0.25 0.00 0.00 0.00 175.76 175.70 1jqb n THR 1213N 3.59 0.00 -3.91 0.00 -2.24 0.47 -4.47 114.28 107.72 1jqb n THR 1213Ca 0.13 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1jqb n THR 1213Cb 0.37 0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.70 1jqb n THR 1213CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jqb s ASP 1214N -4.18 0.09 -0.05 3.42 1.11 -1.09 -4.98 116.67 110.99 1jqb s ASP 1214Ca -0.05 -0.25 0.02 0.00 0.18 0.00 0.00 52.55 52.45 1jqb s ASP 1214Cb 0.14 0.16 0.01 0.00 1.07 0.00 0.00 42.92 44.30 1jqb s ASP 1214CO 0.89 -0.29 -0.10 -0.63 1.18 0.00 0.00 175.17 176.22 1jqb s ILE 1215N -1.17 0.91 0.12 0.77 -1.09 -1.26 -0.96 121.20 118.51 1jqb s ILE 1215Ca -0.13 -0.38 0.09 0.00 -2.23 0.00 0.00 60.65 58.00 1jqb s ILE 1215Cb -0.07 -0.83 -0.04 0.00 -1.58 0.00 0.00 42.46 39.94 1jqb s ILE 1215CO 0.00 0.29 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.04 1jqb s LEU 1216N 0.51 2.33 -0.06 2.97 1.43 -0.21 -4.97 118.68 120.68 1jqb s LEU 1216Ca -0.09 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 1jqb s LEU 1216Cb -0.13 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 1jqb s LEU 1216CO 0.02 0.06 -0.23 0.21 0.23 0.00 0.00 176.35 176.63 1jqb s ASN 1217N -2.10 2.86 0.23 2.29 2.47 -1.26 -1.26 114.94 118.17 1jqb s ASN 1217Ca 0.10 -0.48 -0.07 0.00 0.42 0.00 0.00 52.86 52.83 1jqb s ASN 1217Cb -0.09 -0.83 0.28 0.00 -1.45 0.00 0.00 41.25 39.16 1jqb s ASN 1217CO 0.05 0.22 1.86 1.88 -3.72 0.00 0.00 177.10 177.39 1jqb h TYR 1218N 6.16 0.97 0.00 0.43 -1.99 -1.88 -2.88 116.97 117.79 1jqb h TYR 1218Ca -0.31 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1jqb h TYR 1218Cb 1.18 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 39.59 1jqb h TYR 1218CO 0.43 0.53 0.00 1.63 -0.00 0.00 0.00 178.16 180.75 1jqb n LYS 1219N -4.61 0.52 -0.47 4.88 5.02 -1.26 -2.07 118.16 120.17 1jqb n LYS 1219Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1jqb n LYS 1219Cb 0.13 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1jqb n LYS 1219CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jqb n ASN 1220N 1.70 0.00 0.00 4.39 5.03 -1.09 -5.13 115.26 120.16 1jqb n ASN 1220Ca 0.00 -1.68 0.00 0.00 0.87 0.00 0.00 54.58 53.77 1jqb n ASN 1220Cb 0.26 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1jqb n ASN 1220CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jqb n GLY 1221N 0.00 2.91 3.65 7.41 0.00 -0.88 -4.99 105.19 113.30 1jqb n GLY 1221Ca 0.00 -1.90 -0.55 0.00 0.00 0.00 0.00 46.02 43.57 1jqb n GLY 1221CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jqb n HIS 1222N 0.05 1.82 -0.31 1.61 8.25 -1.26 -4.73 115.22 120.65 1jqb n HIS 1222Ca 0.00 0.56 0.06 0.00 -0.26 0.00 0.00 57.72 58.09 1jqb n HIS 1222Cb 0.00 -2.41 0.21 0.00 1.12 0.00 0.00 29.99 28.92 1jqb n HIS 1222CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1jqb h ILE 1223N 4.34 0.81 -0.62 1.59 6.09 -1.90 -0.91 117.51 126.90 1jqb h ILE 1223Ca -0.47 -0.25 -0.03 0.00 -1.37 0.00 0.00 64.86 62.73 1jqb h ILE 1223Cb 1.32 0.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.60 1jqb h ILE 1223CO 0.88 0.13 0.25 1.05 -3.07 0.00 0.00 178.15 177.39 1jqb h GLU 1224N 0.73 0.91 -0.31 2.19 9.09 -1.88 -1.21 114.58 124.10 1jqb h GLU 1224Ca 0.45 -0.14 -0.09 0.00 0.05 0.00 0.00 59.36 59.63 1jqb h GLU 1224Cb 0.55 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 1jqb h GLU 1224CO -0.31 0.74 -0.14 -0.44 0.05 0.00 0.00 179.01 178.90 1jqb h ASP 1225N 0.89 0.66 -0.47 3.06 3.32 -1.57 -1.70 116.42 120.61 1jqb h ASP 1225Ca 0.21 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.88 1jqb h ASP 1225Cb 0.17 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1jqb h ASP 1225CO -0.02 0.92 0.28 1.56 -1.72 0.00 0.00 179.24 180.25 1jqb h GLN 1226N 0.40 0.54 -0.72 3.56 4.20 -0.94 -1.39 115.11 120.75 1jqb h GLN 1226Ca 0.07 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1jqb h GLN 1226Cb 0.67 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1jqb h GLN 1226CO 0.04 0.36 0.29 0.28 -0.67 0.00 0.00 178.83 179.13 1jqb h VAL 1227N 0.56 1.24 -0.63 -0.54 2.07 -1.16 -0.82 116.25 116.97 1jqb h VAL 1227Ca 0.19 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1jqb h VAL 1227Cb 0.01 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1jqb h VAL 1227CO -0.08 0.31 0.35 0.24 0.02 0.00 0.00 177.57 178.40 1jqb h MET 1228N 1.05 0.88 0.51 1.57 2.86 -0.67 -0.87 114.93 120.25 1jqb h MET 1228Ca 0.24 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1jqb h MET 1228Cb 0.20 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.69 1jqb h MET 1228CO -0.02 0.67 -0.25 0.87 1.06 0.00 0.00 176.91 179.24 1jqb h LYS 1229N 0.86 -0.66 -0.96 1.72 1.57 -0.75 0.98 116.57 119.33 1jqb h LYS 1229Ca 0.22 0.05 0.20 0.00 -1.87 0.00 0.00 60.65 59.25 1jqb h LYS 1229Cb 0.04 0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 1jqb h LYS 1229CO -0.04 -0.42 0.61 -0.07 -0.57 0.00 0.00 179.45 178.97 1jqb h LEU 1230N -0.72 0.55 -2.96 2.94 3.38 -0.95 0.50 115.31 118.03 1jqb h LEU 1230Ca -0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jqb h LEU 1230Cb 0.54 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jqb h LEU 1230CO 0.12 0.20 0.00 0.35 0.09 0.00 0.00 178.44 179.20 1jqb n THR 1231N -4.60 1.98 -3.94 0.22 -2.24 -0.35 -4.94 114.28 100.40 1jqb n THR 1231Ca 0.21 -1.10 -0.37 0.00 -2.27 0.00 0.00 64.05 60.51 1jqb n THR 1231Cb 0.67 -0.13 0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1jqb n THR 1231CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jqb n ASN 1232N 0.74 -3.66 0.00 3.42 2.85 0.17 -1.36 115.26 117.43 1jqb n ASN 1232Ca 0.23 -1.16 0.00 0.00 -0.11 0.00 0.00 54.58 53.54 1jqb n ASN 1232Cb 0.93 -2.45 0.00 0.00 1.24 0.00 0.00 39.78 39.50 1jqb n ASN 1232CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jqb n GLY 1233N -1.98 1.42 0.09 8.20 0.00 0.33 -4.86 105.19 108.39 1jqb n GLY 1233Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1jqb n GLY 1233CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jqb h LYS 1234N 1.49 0.10 0.00 1.61 1.57 -1.41 -3.50 116.57 116.43 1jqb h LYS 1234Ca 0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1jqb h LYS 1234Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1jqb h LYS 1234CO 0.00 0.93 0.00 0.41 -0.57 0.00 0.00 179.45 180.22 1jqb n GLY 1235N 1.52 -2.33 3.51 3.86 0.00 -1.26 -4.65 105.19 105.85 1jqb n GLY 1235Ca -0.10 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 1jqb n GLY 1235CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jqb s VAL 1236N -0.28 2.50 0.14 1.61 -7.23 -0.66 -4.87 120.40 111.61 1jqb s VAL 1236Ca 0.00 -2.30 -0.08 0.00 -1.81 0.00 0.00 61.98 57.80 1jqb s VAL 1236Cb 0.00 -2.46 -0.13 0.00 0.56 0.00 0.00 36.38 34.36 1jqb s VAL 1236CO 0.00 -0.34 1.37 0.44 -0.31 0.00 0.00 175.10 176.27 1jqb h ASP 1237N 2.15 0.75 -5.03 4.85 3.32 -1.73 -0.70 116.42 120.03 1jqb h ASP 1237Ca -0.41 -0.48 -0.15 0.00 0.02 0.00 0.00 57.03 56.01 1jqb h ASP 1237Cb 1.26 -0.22 -0.20 0.00 0.22 0.00 0.00 39.33 40.39 1jqb h ASP 1237CO 0.63 1.25 -0.64 -0.13 -1.72 0.00 0.00 179.24 178.63 1jqb s ARG 1238N -3.73 0.42 -0.05 3.56 1.81 -0.41 -2.76 118.95 117.80 1jqb s ARG 1238Ca -0.08 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.25 1jqb s ARG 1238Cb 0.10 0.16 0.02 0.00 -0.45 0.00 0.00 34.95 34.78 1jqb s ARG 1238CO 0.88 -0.08 -0.03 0.08 -0.68 0.00 0.00 175.30 175.46 1jqb s VAL 1239N -1.97 0.44 -0.25 3.52 1.01 -0.87 -1.32 120.40 120.97 1jqb s VAL 1239Ca -0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1jqb s VAL 1239Cb -0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1jqb s VAL 1239CO -0.02 0.22 0.03 -0.63 0.00 0.00 0.00 175.10 174.69 1jqb s ILE 1240N 1.13 3.88 -0.46 2.22 1.01 0.63 -0.05 121.20 129.56 1jqb s ILE 1240Ca -0.08 -0.40 -0.22 0.00 0.00 0.00 0.00 60.65 59.94 1jqb s ILE 1240Cb -0.14 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.52 1jqb s ILE 1240CO -0.01 0.32 0.76 -0.04 0.00 0.00 0.00 174.94 175.96 1jqb s MET 1241N 1.54 3.35 -0.08 2.79 -1.94 0.29 -0.51 119.30 124.75 1jqb s MET 1241Ca 0.05 -0.23 0.11 0.00 -1.71 0.00 0.00 55.69 53.92 1jqb s MET 1241Cb -0.15 -3.96 -0.16 0.00 2.01 0.00 0.00 34.83 32.56 1jqb s MET 1241CO 0.01 -1.13 0.13 0.00 -0.01 0.00 0.00 175.02 174.01 1jqb n ALA 1242N 6.65 2.00 -3.83 3.03 0.00 0.27 -1.45 120.51 127.17 1jqb n ALA 1242Ca 0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 53.44 52.79 1jqb n ALA 1242Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 1jqb n ALA 1242CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jqb s GLY 1243N -4.07 -0.06 0.00 0.00 0.00 -0.20 -4.37 107.32 98.61 1jqb s GLY 1243Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1jqb s GLY 1243CO 0.50 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 174.18 1jqb n GLY 1244N -0.48 -2.98 3.72 0.20 0.00 -1.26 -4.46 105.19 99.93 1jqb n GLY 1244Ca -0.05 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 1jqb n GLY 1244CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jqb s GLY 1245N 0.00 1.67 0.58 -0.02 0.00 -1.26 -4.93 107.32 103.36 1jqb s GLY 1245Ca 0.00 -1.11 0.37 0.00 0.00 0.00 0.00 44.72 43.98 1jqb s GLY 1245CO 0.00 -0.24 2.10 1.48 0.00 0.00 0.00 173.10 176.44 1jqb h SER 1246N -2.29 0.00 0.31 1.64 4.64 -1.94 -2.63 113.55 113.28 1jqb h SER 1246Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1jqb h SER 1246Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1jqb h SER 1246CO 0.33 0.01 0.00 -1.84 -0.87 0.00 0.00 176.83 174.46 1jqb n GLU 1247N -3.12 0.02 0.28 4.77 0.00 -1.26 -1.98 120.64 119.35 1jqb n GLU 1247Ca -0.01 0.32 0.17 0.00 0.00 0.00 0.00 57.16 57.64 1jqb n GLU 1247Cb 0.23 -1.50 0.78 0.00 0.00 0.00 0.00 31.44 30.95 1jqb n GLU 1247CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1jqb h THR 1248N 0.00 0.16 -0.44 3.84 1.35 -1.83 -2.67 112.91 113.31 1jqb h THR 1248Ca 0.00 -0.48 -0.06 0.00 -0.55 0.00 0.00 66.41 65.31 1jqb h THR 1248Cb 0.15 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1jqb h THR 1248CO 0.00 0.05 0.03 0.25 -0.25 0.00 0.00 175.52 175.60 1jqb h LEU 1249N 0.00 0.74 -0.73 3.87 5.85 -1.65 -0.04 115.31 123.35 1jqb h LEU 1249Ca -0.00 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1jqb h LEU 1249Cb 0.41 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1jqb h LEU 1249CO 0.01 0.84 0.30 -1.28 -0.34 0.00 0.00 178.44 177.96 1jqb h SER 1250N 0.61 1.00 -0.46 1.25 0.87 -1.53 -0.96 113.55 114.33 1jqb h SER 1250Ca 0.13 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1jqb h SER 1250Cb 0.44 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1jqb h SER 1250CO 0.02 0.89 0.27 1.56 -0.53 0.00 0.00 176.83 179.03 1jqb h GLN 1251N 1.04 0.63 -0.60 2.24 4.20 -1.28 -1.56 115.11 119.78 1jqb h GLN 1251Ca 0.24 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1jqb h GLN 1251Cb 0.20 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1jqb h GLN 1251CO -0.02 0.48 0.31 0.00 -0.67 0.00 0.00 178.83 178.92 1jqb h ALA 1252N 1.12 0.77 -0.65 3.87 0.00 -0.60 -2.17 119.26 121.59 1jqb h ALA 1252Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jqb h ALA 1252Cb 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1jqb h ALA 1252CO -0.03 0.31 0.27 0.28 0.00 0.00 0.00 179.25 180.08 1jqb h VAL 1253N 0.81 1.22 -0.01 0.00 2.07 -0.91 -1.29 116.25 118.15 1jqb h VAL 1253Ca 0.21 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.90 1jqb h VAL 1253Cb 0.08 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1jqb h VAL 1253CO -0.03 0.28 -0.63 0.11 0.02 0.00 0.00 177.57 177.31 1jqb h LYS 1254N 0.93 0.05 0.00 1.57 1.57 -0.96 -3.26 116.57 116.47 1jqb h LYS 1254Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1jqb h LYS 1254Cb 0.16 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1jqb h LYS 1254CO -0.02 0.66 -1.13 0.00 -0.57 0.00 0.00 179.45 178.40 1jqb n MET 1255N -3.80 0.40 -3.07 3.15 0.00 -0.85 -4.94 117.12 108.01 1jqb n MET 1255Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.36 1jqb n MET 1255Cb 0.63 -1.64 -0.06 0.00 0.00 0.00 0.00 33.22 32.15 1jqb n MET 1255CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1jqb s VAL 1256N -3.27 4.60 0.66 3.17 0.11 -0.51 -1.65 120.40 123.51 1jqb s VAL 1256Ca 0.01 1.11 -0.11 0.00 -2.93 0.00 0.00 61.98 60.07 1jqb s VAL 1256Cb 0.13 -3.66 -0.02 0.00 -1.53 0.00 0.00 36.38 31.31 1jqb s VAL 1256CO 0.81 -0.13 1.05 -0.54 -3.33 0.00 0.00 175.10 172.96 1jqb s LYS 1257N -2.81 3.25 0.49 1.54 1.02 -0.27 -4.81 119.74 118.15 1jqb s LYS 1257Ca 0.53 0.86 -0.23 0.00 0.02 0.00 0.00 55.97 57.15 1jqb s LYS 1257Cb -0.11 -2.03 -0.07 0.00 -0.52 0.00 0.00 37.83 35.10 1jqb s LYS 1257CO 0.18 -0.85 1.33 -2.14 -0.92 0.00 0.00 175.35 172.95 1jqb s PRO 1258N -5.10 3.51 0.00 -1.68 0.02 -1.26 -0.93 135.00 129.56 1jqb s PRO 1258Ca 0.57 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1jqb s PRO 1258Cb -0.13 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.94 1jqb s PRO 1258CO 0.54 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 1jqb n GLY 1259N 0.63 2.27 3.79 0.52 0.00 0.72 -4.95 105.19 108.18 1jqb n GLY 1259Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1jqb n GLY 1259CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jqb s GLY 1260N -1.98 1.67 -0.06 -0.02 0.00 -0.10 -4.81 107.32 102.03 1jqb s GLY 1260Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.78 1jqb s GLY 1260CO 0.00 -0.21 -0.12 -0.42 0.00 0.00 0.00 173.10 172.34 1jqb s ILE 1261N -3.48 1.13 -0.23 0.90 1.01 -1.11 -1.59 121.20 117.83 1jqb s ILE 1261Ca 0.71 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.79 1jqb s ILE 1261Cb -0.08 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1jqb s ILE 1261CO 0.54 0.35 0.06 -0.63 0.00 0.00 0.00 174.94 175.26 1jqb s ILE 1262N 0.53 4.38 -0.32 2.92 1.01 0.58 -2.05 121.20 128.26 1jqb s ILE 1262Ca -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 1jqb s ILE 1262Cb -0.14 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.35 1jqb s ILE 1262CO 0.03 0.37 0.05 -0.55 0.00 0.00 0.00 174.94 174.84 1jqb s SER 1263N 1.28 5.05 -0.21 3.58 0.15 0.93 -0.62 113.70 123.87 1jqb s SER 1263Ca 0.05 -1.32 -0.15 0.00 0.70 0.00 0.00 55.95 55.23 1jqb s SER 1263Cb -0.15 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1jqb s SER 1263CO 0.03 -0.31 0.35 0.21 1.20 0.00 0.00 173.24 174.72 1jqb s ASN 1264N 1.36 6.38 0.00 5.45 2.47 -0.44 -0.55 114.94 129.62 1jqb s ASN 1264Ca -0.03 0.44 0.00 0.00 0.42 0.00 0.00 52.86 53.69 1jqb s ASN 1264Cb -0.20 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 1jqb s ASN 1264CO -0.00 -0.04 0.72 2.30 -3.72 0.00 0.00 177.10 176.35 1jqb n ILE 1265N 4.30 0.51 -2.85 -5.21 -5.35 -0.53 -1.99 119.36 108.24 1jqb n ILE 1265Ca -0.10 -0.57 -0.41 0.00 -0.27 0.00 0.00 62.75 61.40 1jqb n ILE 1265Cb 0.51 0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 39.18 1jqb n ILE 1265CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jqb s ASN 1266N -0.51 7.29 -0.63 7.28 2.47 -1.03 -4.94 114.94 124.86 1jqb s ASN 1266Ca 0.00 1.55 -0.24 0.00 0.42 0.00 0.00 52.86 54.59 1jqb s ASN 1266Cb 0.00 -2.52 0.05 0.00 -1.45 0.00 0.00 41.25 37.33 1jqb s ASN 1266CO 0.00 -0.11 1.03 -0.47 -3.72 0.00 0.00 177.10 173.83 1jqb s TYR 1267N 0.41 2.64 -0.49 0.43 5.04 -1.26 -4.98 117.35 119.13 1jqb s TYR 1267Ca 0.44 -0.22 -0.28 0.00 -2.44 0.00 0.00 57.07 54.57 1jqb s TYR 1267Cb -0.21 -4.29 0.03 0.00 0.35 0.00 0.00 41.96 37.84 1jqb s TYR 1267CO 0.25 -1.63 1.10 -1.01 -1.34 0.00 0.00 175.55 172.93 1jqb s HIS 1268N 4.39 2.81 -0.86 4.97 3.76 -1.26 -4.92 115.29 124.18 1jqb s HIS 1268Ca 0.28 0.60 0.24 0.00 -0.15 0.00 0.00 55.06 56.04 1jqb s HIS 1268Cb -0.13 -4.36 0.39 0.00 1.11 0.00 0.00 32.58 29.58 1jqb s HIS 1268CO 0.15 -1.28 1.33 0.41 -0.85 0.00 0.00 174.74 174.50 1jqb n GLY 1269N 4.90 -1.28 3.29 -2.22 0.00 -1.26 -4.99 105.19 103.64 1jqb n GLY 1269Ca 0.10 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1jqb n GLY 1269CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jqb s SER 1270N -3.42 0.09 0.00 1.61 1.04 -1.26 -4.23 113.70 107.53 1jqb s SER 1270Ca 0.09 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1jqb s SER 1270Cb 0.16 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1jqb s SER 1270CO 0.72 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1jqb n GLY 1271N -0.17 2.23 0.17 7.32 0.00 -1.26 -4.86 105.19 108.61 1jqb n GLY 1271Ca -0.09 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 1jqb n GLY 1271CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1jqb h ASP 1272N 0.00 0.53 -5.36 1.61 3.58 -2.03 -3.48 116.42 111.28 1jqb h ASP 1272Ca 0.00 -0.43 -0.16 0.00 0.42 0.00 0.00 57.03 56.86 1jqb h ASP 1272Cb 0.00 -0.15 -0.08 0.00 1.72 0.00 0.00 39.33 40.82 1jqb h ASP 1272CO 0.00 0.85 -0.13 0.00 -2.88 0.00 0.00 179.24 177.07 1jqb s ALA 1273N -4.51 0.23 -0.11 -0.78 0.00 -1.26 -5.15 121.76 110.18 1jqb s ALA 1273Ca -0.13 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1jqb s ALA 1273Cb 0.07 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.25 1jqb s ALA 1273CO 0.78 -0.83 -0.07 -0.51 0.00 0.00 0.00 175.76 175.13 1jqb s LEU 1274N -3.13 3.11 -0.06 0.00 1.02 -1.26 -5.00 118.68 113.36 1jqb s LEU 1274Ca 0.26 -0.12 -0.13 0.00 0.02 0.00 0.00 54.13 54.16 1jqb s LEU 1274Cb -0.01 -1.71 -0.05 0.00 0.02 0.00 0.00 46.19 44.45 1jqb s LEU 1274CO 0.14 0.26 0.34 -0.22 0.02 0.00 0.00 176.35 176.89 1jqb s LEU 1275N -0.18 4.40 -0.23 1.79 0.20 -1.26 -5.08 118.68 118.32 1jqb s LEU 1275Ca 0.02 0.77 -0.03 0.00 0.69 0.00 0.00 54.13 55.59 1jqb s LEU 1275Cb -0.13 -2.46 0.00 0.00 -0.43 0.00 0.00 46.19 43.18 1jqb s LEU 1275CO 0.03 0.28 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.68 1jqb s ILE 1276N -0.66 3.14 -0.21 6.68 1.01 -1.26 -3.54 121.20 126.37 1jqb s ILE 1276Ca 0.21 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1jqb s ILE 1276Cb -0.15 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1jqb s ILE 1276CO 0.10 0.35 1.68 -2.16 0.00 0.00 0.00 174.94 174.91 1jqb s PRO 1277N 1.42 3.76 0.15 2.79 0.04 -1.26 -4.90 135.00 137.00 1jqb s PRO 1277Ca 0.04 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 62.58 1jqb s PRO 1277Cb -0.15 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.34 1jqb s PRO 1277CO -0.04 -1.34 1.61 -0.09 0.04 0.00 0.00 177.00 177.18 1jqb h ARG 1278N 11.06 -0.30 0.37 4.56 2.43 -1.97 -1.70 114.38 128.84 1jqb h ARG 1278Ca -0.35 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1jqb h ARG 1278Cb 1.16 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1jqb h ARG 1278CO 1.00 -0.20 -0.30 0.28 -1.51 0.00 0.00 179.97 179.24 1jqb h VAL 1279N -0.31 0.38 0.00 0.20 2.07 -1.96 -0.45 116.25 116.18 1jqb h VAL 1279Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1jqb h VAL 1279Cb 0.52 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1jqb h VAL 1279CO -0.42 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 176.84 1jqb h GLU 1280N -0.68 0.00 -0.69 1.57 3.07 -1.92 -0.35 114.58 115.59 1jqb h GLU 1280Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1jqb h GLU 1280Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1jqb h GLU 1280CO -0.01 0.00 0.00 1.87 -1.40 0.00 0.00 179.01 179.47 1jqb n TRP 1281N -2.53 0.93 -2.72 4.33 -0.00 -0.65 -4.81 117.44 111.99 1jqb n TRP 1281Ca 0.00 -0.34 -0.20 0.00 -0.00 0.00 0.00 57.50 56.96 1jqb n TRP 1281Cb 0.18 -0.24 0.01 0.00 -0.00 0.00 0.00 31.31 31.26 1jqb n TRP 1281CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jqb n GLY 1282N 0.51 -0.51 2.51 5.87 0.00 -0.14 -0.50 105.19 112.93 1jqb n GLY 1282Ca 0.14 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1jqb n GLY 1282CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n GLY 1284N -0.49 0.71 0.10 0.00 0.00 0.34 -4.96 105.19 100.90 1jqb n GLY 1284Ca -0.21 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.57 1jqb n GLY 1284CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jqb n MET 1285N -2.51 1.52 -0.24 1.61 2.81 -0.35 -4.76 117.12 115.20 1jqb n MET 1285Ca 0.00 -1.66 0.09 0.00 -1.81 0.00 0.00 57.70 54.33 1jqb n MET 1285Cb 0.00 -1.03 0.25 0.00 -0.71 0.00 0.00 33.22 31.74 1jqb n MET 1285CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jqb n ALA 1286N -0.68 2.43 -3.30 3.04 0.00 -1.24 -4.94 120.51 115.81 1jqb n ALA 1286Ca 0.06 -0.89 -0.24 0.00 0.00 0.00 0.00 53.44 52.37 1jqb n ALA 1286Cb 0.49 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.99 1jqb n ALA 1286CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jqb n HIS 1287N 1.03 -1.93 -3.08 0.00 8.25 -1.26 -0.20 115.22 118.03 1jqb n HIS 1287Ca 0.18 0.54 -0.45 0.00 -0.26 0.00 0.00 57.72 57.74 1jqb n HIS 1287Cb 0.46 -3.65 -0.02 0.00 1.12 0.00 0.00 29.99 27.90 1jqb n HIS 1287CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jqb s LYS 1288N -5.97 3.74 0.29 -0.41 1.02 -1.26 -2.10 119.74 115.06 1jqb s LYS 1288Ca 0.40 -2.23 -0.29 0.00 0.02 0.00 0.00 55.97 53.86 1jqb s LYS 1288Cb -0.20 -4.78 -0.10 0.00 -0.52 0.00 0.00 37.83 32.24 1jqb s LYS 1288CO 0.49 -1.59 1.29 0.99 -0.92 0.00 0.00 175.35 175.61 1jqb s THR 1289N 1.44 2.90 -0.20 2.17 2.01 -0.62 -4.88 115.64 118.47 1jqb s THR 1289Ca 0.30 0.86 0.01 0.00 0.31 0.00 0.00 61.69 63.17 1jqb s THR 1289Cb -0.06 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.92 1jqb s THR 1289CO -0.08 0.19 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.24 1jqb s ILE 1290N -0.81 2.22 0.34 1.82 1.01 -1.26 -0.30 121.20 124.22 1jqb s ILE 1290Ca 0.51 -0.98 0.09 0.00 0.00 0.00 0.00 60.65 60.26 1jqb s ILE 1290Cb -0.38 -1.99 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 1jqb s ILE 1290CO 0.48 0.45 0.01 -0.54 0.00 0.00 0.00 174.94 175.33 1jqb s LYS 1291N 1.29 2.05 -0.30 2.79 1.02 0.21 -4.99 119.74 121.81 1jqb s LYS 1291Ca 0.03 -1.78 -0.11 0.00 0.02 0.00 0.00 55.97 54.13 1jqb s LYS 1291Cb -0.14 -1.90 0.17 0.00 -0.52 0.00 0.00 37.83 35.45 1jqb s LYS 1291CO -0.11 0.12 0.94 0.20 -0.92 0.00 0.00 175.35 175.58 1jqb s GLY 1292N -3.71 -0.43 0.04 -3.33 0.00 -1.26 -1.32 107.32 97.31 1jqb s GLY 1292Ca 0.35 2.68 -0.07 0.00 0.00 0.00 0.00 44.72 47.68 1jqb s GLY 1292CO 0.19 3.53 0.13 -0.32 0.00 0.00 0.00 173.10 176.62 1jqb s GLY 1293N 2.77 0.13 0.33 0.20 0.00 -0.84 -4.97 107.32 104.94 1jqb s GLY 1293Ca 0.03 -0.47 -0.27 0.00 0.00 0.00 0.00 44.72 44.01 1jqb s GLY 1293CO -0.15 -0.62 1.09 -2.27 0.00 0.00 0.00 173.10 171.15 1jqb s LEU 1294N -2.11 4.38 0.41 0.66 2.96 -1.26 -4.70 118.68 119.03 1jqb s LEU 1294Ca -0.05 2.20 -0.27 0.00 -0.22 0.00 0.00 54.13 55.79 1jqb s LEU 1294Cb -0.01 -3.85 -0.10 0.00 0.50 0.00 0.00 46.19 42.73 1jqb s LEU 1294CO -0.04 -0.31 1.46 0.00 -1.32 0.00 0.00 176.35 176.14 1jqb s PRO 1296N -2.25 2.31 0.00 0.00 0.02 -1.26 -4.79 135.00 129.02 1jqb s PRO 1296Ca 0.56 1.41 0.00 0.00 0.02 0.00 0.00 61.00 63.00 1jqb s PRO 1296Cb -0.45 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1jqb s PRO 1296CO 0.60 -1.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.04 1jqb n GLY 1297N -0.47 5.10 0.00 0.52 0.00 -1.26 -4.71 105.19 104.37 1jqb n GLY 1297Ca 0.11 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1jqb n GLY 1297CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqb n GLY 1298N 0.00 -0.26 0.17 -0.02 0.00 -0.51 -4.29 105.19 100.27 1jqb n GLY 1298Ca 0.00 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 1jqb n GLY 1298CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jqb h ARG 1299N 0.00 -0.20 -0.20 1.61 2.43 -0.83 -2.41 114.38 114.78 1jqb h ARG 1299Ca 0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1jqb h ARG 1299Cb 0.00 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1jqb h ARG 1299CO 0.00 -0.14 -0.18 1.25 -1.51 0.00 0.00 179.97 179.39 1jqb h LEU 1300N -0.21 -0.59 -0.31 3.80 5.85 -1.85 0.37 115.31 122.37 1jqb h LEU 1300Ca 0.05 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1jqb h LEU 1300Cb 0.27 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1jqb h LEU 1300CO -0.13 -0.23 0.08 -0.09 -0.34 0.00 0.00 178.44 177.74 1jqb h ARG 1301N -0.20 0.19 -0.78 1.25 9.65 -1.73 -0.12 114.38 122.65 1jqb h ARG 1301Ca 0.12 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1jqb h ARG 1301Cb 0.38 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 1jqb h ARG 1301CO -0.32 0.13 0.37 0.00 2.80 0.00 0.00 179.97 182.95 1jqb h ALA 1302N 1.22 1.01 -0.42 2.80 0.00 -0.93 -1.27 119.26 121.67 1jqb h ALA 1302Ca 0.14 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1jqb h ALA 1302Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1jqb h ALA 1302CO -0.17 0.58 -0.27 0.93 0.00 0.00 0.00 179.25 180.32 1jqb h GLU 1303N 1.11 0.90 -0.34 0.00 5.08 -0.57 0.10 114.58 120.86 1jqb h GLU 1303Ca 0.27 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1jqb h GLU 1303Cb 0.13 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1jqb h GLU 1303CO -0.03 1.06 0.07 0.00 -1.00 0.00 0.00 179.01 179.10 1jqb h ARG 1304N 0.77 0.55 -0.36 2.33 3.08 -0.78 -0.74 114.38 119.22 1jqb h ARG 1304Ca 0.09 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 1jqb h ARG 1304Cb 0.83 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1jqb h ARG 1304CO 0.07 0.62 -0.38 -0.07 -1.07 0.00 0.00 179.97 179.14 1jqb h LEU 1305N 0.39 0.93 -0.24 3.04 3.38 -1.19 -1.59 115.31 120.04 1jqb h LEU 1305Ca 0.10 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1jqb h LEU 1305Cb 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1jqb h LEU 1305CO 0.00 1.20 0.01 -0.09 0.09 0.00 0.00 178.44 179.66 1jqb h ARG 1306N 0.72 0.09 -0.24 1.13 2.43 -0.68 -1.63 114.38 116.19 1jqb h ARG 1306Ca 0.06 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1jqb h ARG 1306Cb 0.96 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1jqb h ARG 1306CO 0.09 0.06 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.11 1jqb h ASP 1307N 0.09 0.35 -0.27 -3.80 3.32 -0.94 -0.80 116.42 114.38 1jqb h ASP 1307Ca 0.11 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1jqb h ASP 1307Cb 0.14 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1jqb h ASP 1307CO -0.18 0.46 0.00 0.24 -1.72 0.00 0.00 179.24 178.04 1jqb h MET 1308N 0.36 0.59 -0.21 3.56 2.86 -0.50 -0.57 114.93 121.02 1jqb h MET 1308Ca 0.08 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.40 1jqb h MET 1308Cb 0.34 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1jqb h MET 1308CO 0.02 0.61 -0.59 0.28 1.06 0.00 0.00 176.91 178.29 1jqb h VAL 1309N 0.56 1.29 -0.88 -2.22 2.07 -0.41 0.11 116.25 116.77 1jqb h VAL 1309Ca 0.12 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 65.85 1jqb h VAL 1309Cb 0.35 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 1jqb h VAL 1309CO 0.01 0.57 0.58 0.58 0.02 0.00 0.00 177.57 179.33 1jqb h VAL 1310N 0.51 1.23 -0.31 2.57 2.07 -0.76 -0.64 116.25 120.92 1jqb h VAL 1310Ca -0.01 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1jqb h VAL 1310Cb 1.21 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1jqb h VAL 1310CO 0.13 0.22 0.06 -1.22 0.02 0.00 0.00 177.57 176.78 1jqb n TYR 1311N -4.40 1.07 -4.23 1.57 4.01 -0.26 -4.91 117.16 110.01 1jqb n TYR 1311Ca 0.10 -0.50 -0.34 0.00 -0.16 0.00 0.00 57.90 57.00 1jqb n TYR 1311Cb 0.02 -0.35 -0.05 0.00 -0.31 0.00 0.00 39.34 38.66 1jqb n TYR 1311CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1jqb n ASN 1312N 0.18 -1.73 0.16 7.72 4.13 -0.25 -4.84 115.26 120.63 1jqb n ASN 1312Ca 0.16 -1.09 0.04 0.00 1.68 0.00 0.00 54.58 55.37 1jqb n ASN 1312Cb 0.77 -2.45 0.11 0.00 -1.54 0.00 0.00 39.78 36.67 1jqb n ASN 1312CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1jqb h ARG 1313N -1.52 0.00 -3.12 3.52 2.47 -0.99 -3.45 114.38 111.29 1jqb h ARG 1313Ca -0.61 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 57.97 1jqb h ARG 1313Cb 1.39 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.48 1jqb h ARG 1313CO 0.76 0.45 -0.35 0.54 0.56 0.00 0.00 179.97 181.92 1jqb s VAL 1314N -3.12 0.04 -0.45 2.04 0.11 -1.26 -5.06 120.40 112.70 1jqb s VAL 1314Ca 0.03 -0.33 -0.10 0.00 -2.93 0.00 0.00 61.98 58.65 1jqb s VAL 1314Cb 0.08 -0.50 0.10 0.00 -1.53 0.00 0.00 36.38 34.53 1jqb s VAL 1314CO 0.73 -0.18 0.32 -0.62 -3.33 0.00 0.00 175.10 172.02 1jqb s ASP 1315N -0.76 5.77 0.29 3.54 -1.08 -1.26 -4.72 116.67 118.43 1jqb s ASP 1315Ca -0.09 -1.64 0.26 0.00 -0.52 0.00 0.00 52.55 50.56 1jqb s ASP 1315Cb -0.04 -2.04 0.83 0.00 -1.46 0.00 0.00 42.92 40.21 1jqb s ASP 1315CO 0.02 -0.63 1.75 -0.07 0.52 0.00 0.00 175.17 176.77 1jqb h LEU 1316N 8.50 0.00 -2.30 -1.34 3.38 -1.97 -3.31 115.31 118.28 1jqb h LEU 1316Ca -0.24 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1jqb h LEU 1316Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1jqb h LEU 1316CO 0.83 0.00 0.10 0.77 0.09 0.00 0.00 178.44 180.23 1jqb h SER 1317N 0.00 0.00 0.79 -0.43 4.64 -1.92 -1.60 113.55 115.03 1jqb h SER 1317Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jqb h SER 1317Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1jqb h SER 1317CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1jqb n LYS 1318N -3.93 0.19 0.08 4.77 4.76 -1.25 -2.76 118.16 120.02 1jqb n LYS 1318Ca -0.01 0.39 -0.10 0.00 -2.87 0.00 0.00 58.31 55.73 1jqb n LYS 1318Cb 0.20 -1.84 -0.10 0.00 -1.84 0.00 0.00 35.03 31.45 1jqb n LYS 1318CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1jqb h LEU 1319N 0.00 0.16 -8.53 -0.35 3.38 -1.57 -3.43 115.31 104.97 1jqb h LEU 1319Ca 0.00 -0.16 -0.61 0.00 0.09 0.00 0.00 57.88 57.20 1jqb h LEU 1319Cb 0.39 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 1jqb h LEU 1319CO 0.00 1.10 0.57 -0.69 0.09 0.00 0.00 178.44 179.51 1jqb s VAL 1320N -2.78 4.40 -0.10 1.22 1.01 -1.11 -1.55 120.40 121.48 1jqb s VAL 1320Ca -0.01 0.38 0.20 0.00 0.00 0.00 0.00 61.98 62.55 1jqb s VAL 1320Cb 0.09 -4.52 -0.27 0.00 0.00 0.00 0.00 36.38 31.68 1jqb s VAL 1320CO 0.84 -1.06 0.41 0.35 0.00 0.00 0.00 175.10 175.64 1jqb n THR 1321N 6.24 0.59 -4.50 3.92 -2.24 -0.25 -4.93 114.28 113.11 1jqb n THR 1321Ca 0.03 -0.64 -0.24 0.00 -2.27 0.00 0.00 64.05 60.93 1jqb n THR 1321Cb 0.48 -0.23 -0.17 0.00 -2.10 0.00 0.00 70.33 68.31 1jqb n THR 1321CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1jqb s HIS 1322N -3.13 1.33 -0.07 4.78 3.76 -0.97 -4.99 115.29 116.00 1jqb s HIS 1322Ca -0.08 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.38 1jqb s HIS 1322Cb 0.11 -1.00 0.01 0.00 1.11 0.00 0.00 32.58 32.80 1jqb s HIS 1322CO 0.87 -0.27 -0.17 0.08 -0.85 0.00 0.00 174.74 174.40 1jqb s VAL 1323N 0.73 1.48 0.11 -0.90 1.01 -1.26 -0.49 120.40 121.07 1jqb s VAL 1323Ca -0.14 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1jqb s VAL 1323Cb -0.15 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1jqb s VAL 1323CO 0.03 0.43 -0.21 -0.31 0.00 0.00 0.00 175.10 175.04 1jqb s TYR 1324N 0.41 1.82 -0.20 5.22 2.02 0.11 -4.97 117.35 121.75 1jqb s TYR 1324Ca -0.13 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 1jqb s TYR 1324Cb -0.15 -0.98 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1jqb s TYR 1324CO 0.05 0.23 -0.17 -1.01 -1.57 0.00 0.00 175.55 173.08 1jqb s HIS 1325N -1.29 2.90 0.00 2.71 3.76 -1.26 0.01 115.29 122.12 1jqb s HIS 1325Ca 0.08 -1.77 0.00 0.00 -0.15 0.00 0.00 55.06 53.22 1jqb s HIS 1325Cb -0.09 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.66 1jqb s HIS 1325CO 0.05 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 173.53 1jqb n GLY 1326N 4.59 3.72 0.40 -2.22 0.00 0.17 -4.86 105.19 106.98 1jqb n GLY 1326Ca -0.19 -1.00 0.25 0.00 0.00 0.00 0.00 46.02 45.07 1jqb n GLY 1326CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jqb h PHE 1327N 0.00 0.70 0.00 1.61 3.57 -1.93 -1.11 116.94 119.77 1jqb h PHE 1327Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1jqb h PHE 1327Cb 0.00 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 1jqb h PHE 1327CO 0.00 -0.00 -0.07 -0.44 -2.23 0.00 0.00 178.31 175.57 1jqb h ASP 1328N 0.36 0.00 0.56 0.41 3.45 -1.98 -2.68 116.42 116.54 1jqb h ASP 1328Ca 0.65 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.11 1jqb h ASP 1328Cb 1.67 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.44 1jqb h ASP 1328CO -0.36 0.07 0.00 1.41 -1.57 0.00 0.00 179.24 178.78 1jqb n HIS 1329N -3.86 0.72 -0.32 4.55 8.25 -0.42 -3.25 115.22 120.88 1jqb n HIS 1329Ca -0.02 0.30 0.14 0.00 -0.26 0.00 0.00 57.72 57.87 1jqb n HIS 1329Cb 0.16 -0.98 0.32 0.00 1.12 0.00 0.00 29.99 30.61 1jqb n HIS 1329CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1jqb h ILE 1330N 0.00 0.55 0.32 1.59 2.04 -1.65 -0.05 117.51 120.31 1jqb h ILE 1330Ca 0.00 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1jqb h ILE 1330Cb 0.28 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1jqb h ILE 1330CO 0.00 0.10 -0.17 -0.08 0.00 0.00 0.00 178.15 178.00 1jqb h GLU 1331N 0.52 -0.43 -0.28 2.37 4.81 -1.82 -0.38 114.58 119.37 1jqb h GLU 1331Ca 0.58 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.84 1jqb h GLU 1331Cb 1.05 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1jqb h GLU 1331CO -0.48 -0.29 0.17 1.49 -0.73 0.00 0.00 179.01 179.18 1jqb h GLU 1332N -0.45 0.34 -0.09 1.92 4.81 -1.50 -2.16 114.58 117.44 1jqb h GLU 1332Ca -0.04 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1jqb h GLU 1332Cb 0.35 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1jqb h GLU 1332CO 0.06 0.23 -0.04 0.00 -0.73 0.00 0.00 179.01 178.52 1jqb h ALA 1333N 1.12 0.03 -0.62 2.92 0.00 -0.94 -1.89 119.26 119.88 1jqb h ALA 1333Ca 0.11 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1jqb h ALA 1333Cb -0.01 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1jqb h ALA 1333CO -0.04 -0.51 0.41 1.25 0.00 0.00 0.00 179.25 180.36 1jqb h LEU 1334N -0.04 0.54 -1.13 0.00 6.46 -0.93 -0.24 115.31 119.98 1jqb h LEU 1334Ca 0.05 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.72 1jqb h LEU 1334Cb 0.11 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1jqb h LEU 1334CO -0.11 0.36 -0.43 -0.07 -0.62 0.00 0.00 178.44 177.56 1jqb h LEU 1335N 0.62 0.00 -1.15 2.25 3.38 -0.71 -2.61 115.31 117.09 1jqb h LEU 1335Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1jqb h LEU 1335Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1jqb h LEU 1335CO -0.08 0.43 0.06 -0.07 0.09 0.00 0.00 178.44 178.87 1jqb h LEU 1336N 0.00 0.61 -2.31 1.67 3.38 -0.29 0.10 115.31 118.48 1jqb h LEU 1336Ca -0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1jqb h LEU 1336Cb 0.78 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1jqb h LEU 1336CO 0.06 0.64 -0.01 0.24 0.09 0.00 0.00 178.44 179.46 1jqb h MET 1337N 0.63 0.00 0.10 1.13 2.86 -1.31 1.34 114.93 119.67 1jqb h MET 1337Ca 0.14 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.52 1jqb h MET 1337Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1jqb h MET 1337CO 0.00 0.01 -1.36 -0.22 1.06 0.00 0.00 176.91 176.40 1jqb h LYS 1338N 0.00 0.20 -0.02 1.72 3.64 -0.89 -3.39 116.57 117.84 1jqb h LYS 1338Ca -0.00 -0.35 -0.13 0.00 -1.27 0.00 0.00 60.65 58.90 1jqb h LYS 1338Cb 0.23 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1jqb h LYS 1338CO 0.00 1.17 -0.50 -0.44 -2.27 0.00 0.00 179.45 177.41 1jqb h ASP 1339N -0.40 0.47 -4.97 4.20 5.19 -0.40 -3.49 116.42 117.01 1jqb h ASP 1339Ca -0.30 -0.74 -0.09 0.00 -0.62 0.00 0.00 57.03 55.28 1jqb h ASP 1339Cb 1.68 -0.14 0.07 0.00 0.18 0.00 0.00 39.33 41.12 1jqb h ASP 1339CO 0.02 1.15 -0.29 0.29 -3.12 0.00 0.00 179.24 177.29 1jqb n LYS 1340N -4.29 -1.40 -2.00 3.56 5.02 0.46 -4.96 118.16 114.54 1jqb n LYS 1340Ca -0.10 1.07 -0.37 0.00 -2.02 0.00 0.00 58.31 56.89 1jqb n LYS 1340Cb 0.62 -5.02 0.03 0.00 -0.02 0.00 0.00 35.03 30.64 1jqb n LYS 1340CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1jqb s PRO 1341N -3.47 3.21 0.61 1.97 0.04 -1.26 -4.86 135.00 131.23 1jqb s PRO 1341Ca 0.16 1.94 0.31 0.00 0.04 0.00 0.00 61.00 63.45 1jqb s PRO 1341Cb -0.02 -2.14 1.68 0.00 0.04 0.00 0.00 34.50 34.06 1jqb s PRO 1341CO 0.61 -1.04 1.94 0.87 0.04 0.00 0.00 177.00 179.41 1jqb h LYS 1342N 1.34 0.00 -0.64 4.56 1.79 -2.00 -1.03 116.57 120.59 1jqb h LYS 1342Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1jqb h LYS 1342Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1jqb h LYS 1342CO 0.57 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.54 1jqb n ASP 1343N -2.80 3.71 -4.79 0.86 5.75 -1.26 -4.28 116.55 113.74 1jqb n ASP 1343Ca -0.02 -2.00 -0.35 0.00 -0.01 0.00 0.00 54.79 52.42 1jqb n ASP 1343Cb 0.28 -0.43 -0.07 0.00 -1.03 0.00 0.00 41.12 39.87 1jqb n ASP 1343CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1jqb s LEU 1344N -1.11 3.99 0.01 -2.12 2.96 -0.39 -4.86 118.68 117.16 1jqb s LEU 1344Ca 0.46 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1jqb s LEU 1344Cb 0.24 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1jqb s LEU 1344CO 0.32 0.35 0.00 -0.38 -1.32 0.00 0.00 176.35 175.32 1jqb n ILE 1345N 1.70 0.06 -4.00 6.68 5.41 -1.26 -4.90 119.36 123.05 1jqb n ILE 1345Ca -0.17 0.02 -0.12 0.00 1.00 0.00 0.00 62.75 63.48 1jqb n ILE 1345Cb 0.54 -0.76 -0.13 0.00 -0.71 0.00 0.00 39.64 38.58 1jqb n ILE 1345CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1jqb s LYS 1346N -1.06 0.29 -0.01 0.38 -0.14 -0.60 -4.62 119.74 113.97 1jqb s LYS 1346Ca 0.00 -0.39 0.07 0.00 -1.36 0.00 0.00 55.97 54.29 1jqb s LYS 1346Cb 0.00 -0.10 -0.02 0.00 -1.68 0.00 0.00 37.83 36.02 1jqb s LYS 1346CO 0.00 0.02 -0.22 0.00 -0.76 0.00 0.00 175.35 174.38 1jqb s ALA 1347N -0.78 2.34 -0.05 5.17 0.00 -1.26 -1.09 121.76 126.09 1jqb s ALA 1347Ca -0.07 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1jqb s ALA 1347Cb -0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1jqb s ALA 1347CO -0.00 0.54 -0.21 0.08 0.00 0.00 0.00 175.76 176.17 1jqb s VAL 1348N -0.69 1.70 -0.25 0.00 1.01 0.35 -4.04 120.40 118.48 1jqb s VAL 1348Ca 0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1jqb s VAL 1348Cb -0.10 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 1jqb s VAL 1348CO 0.00 0.48 0.02 -0.69 0.00 0.00 0.00 175.10 174.91 1jqb s VAL 1349N -0.08 3.72 -0.26 2.92 1.01 0.02 -0.72 120.40 127.01 1jqb s VAL 1349Ca -0.03 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1jqb s VAL 1349Cb -0.12 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1jqb s VAL 1349CO 0.03 0.28 0.17 -0.63 0.00 0.00 0.00 175.10 174.95 1jqb s ILE 1350N 1.50 5.33 -2.00 2.22 1.01 0.10 -1.37 121.20 128.00 1jqb s ILE 1350Ca 0.04 0.17 0.25 0.00 0.00 0.00 0.00 60.65 61.12 1jqb s ILE 1350Cb -0.15 -3.51 0.71 0.00 0.01 0.00 0.00 42.46 39.51 1jqb s ILE 1350CO -0.00 0.30 1.84 0.18 0.00 0.00 0.00 174.94 177.26