#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f51 s GLU 1004N 0.00 3.73 0.19 3.52 2.02 -1.26 -4.92 118.70 121.97 1f51 s GLU 1004Ca 0.00 -0.45 -0.30 0.00 0.02 0.00 0.00 54.97 54.24 1f51 s GLU 1004Cb 0.00 -3.49 -0.08 0.00 0.10 0.00 0.00 34.13 30.66 1f51 s GLU 1004CO 0.00 -0.22 1.01 0.15 0.02 0.00 0.00 175.26 176.23 1f51 s LYS 1005N 1.67 4.71 -0.03 1.61 1.02 -1.26 -1.56 119.74 125.90 1f51 s LYS 1005Ca 0.06 1.58 -0.00 0.00 0.02 0.00 0.00 55.97 57.64 1f51 s LYS 1005Cb -0.16 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1f51 s LYS 1005CO 0.07 0.26 0.02 0.42 -0.92 0.00 0.00 175.35 175.20 1f51 s ILE 1006N -0.56 0.06 -0.24 2.17 1.01 -0.65 -1.80 121.20 121.19 1f51 s ILE 1006Ca 0.46 0.20 -0.08 0.00 0.00 0.00 0.00 60.65 61.23 1f51 s ILE 1006Cb -0.27 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 1f51 s ILE 1006CO 0.33 0.14 0.08 -0.22 0.00 0.00 0.00 174.94 175.28 1f51 s LEU 1007N 1.35 3.56 -0.37 2.97 2.96 0.41 -1.65 118.68 127.91 1f51 s LEU 1007Ca -0.05 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 53.58 1f51 s LEU 1007Cb -0.13 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 1f51 s LEU 1007CO -0.03 -0.00 0.27 -0.63 -1.32 0.00 0.00 176.35 174.64 1f51 s ILE 1008N 1.44 5.27 -0.50 6.68 -1.09 0.21 0.79 121.20 133.99 1f51 s ILE 1008Ca 0.06 -0.40 -0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1f51 s ILE 1008Cb -0.15 -3.82 0.13 0.00 -1.58 0.00 0.00 42.46 37.05 1f51 s ILE 1008CO 0.04 -0.15 0.28 -0.69 -1.23 0.00 0.00 174.94 173.20 1f51 s VAL 1009N 1.72 3.12 -0.06 2.92 1.01 0.11 -0.47 120.40 128.76 1f51 s VAL 1009Ca 0.06 -2.74 -0.05 0.00 0.00 0.00 0.00 61.98 59.25 1f51 s VAL 1009Cb -0.18 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1f51 s VAL 1009CO 0.10 -0.77 0.15 -0.62 0.00 0.00 0.00 175.10 173.97 1f51 s ASP 1010N 0.76 -0.16 0.25 3.32 -1.08 -0.99 0.42 116.67 119.19 1f51 s ASP 1010Ca 0.14 0.30 0.25 0.00 -0.52 0.00 0.00 52.55 52.72 1f51 s ASP 1010Cb -0.22 0.31 0.92 0.00 -1.46 0.00 0.00 42.92 42.47 1f51 s ASP 1010CO -0.03 -0.06 1.74 -0.90 0.52 0.00 0.00 175.17 176.44 1f51 n ASP 1011N 2.98 0.75 -4.56 -0.34 5.75 -1.26 -4.37 116.55 115.49 1f51 n ASP 1011Ca -0.13 0.64 -0.37 0.00 -0.01 0.00 0.00 54.79 54.92 1f51 n ASP 1011Cb 0.59 -0.81 -0.11 0.00 -1.03 0.00 0.00 41.12 39.75 1f51 n ASP 1011CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1f51 s GLN 1012N -3.24 3.88 0.20 0.11 -0.21 -1.26 -4.98 119.66 114.16 1f51 s GLN 1012Ca 0.07 -0.36 -0.18 0.00 0.02 0.00 0.00 55.36 54.91 1f51 s GLN 1012Cb 0.10 -3.55 0.17 0.00 1.00 0.00 0.00 33.01 30.74 1f51 s GLN 1012CO 0.47 -0.15 1.59 0.77 -2.12 0.00 0.00 175.29 175.86 1f51 h SER 1013N 8.20 -1.04 -0.53 5.90 0.02 -2.00 -2.33 113.55 121.77 1f51 h SER 1013Ca -0.36 0.23 0.10 0.00 -0.84 0.00 0.00 61.79 60.92 1f51 h SER 1013Cb 1.18 0.55 -0.11 0.00 0.14 0.00 0.00 62.40 64.17 1f51 h SER 1013CO 0.57 -0.29 -0.29 1.23 -1.14 0.00 0.00 176.83 176.92 1f51 h GLY 1014N -0.11 -0.02 1.95 -3.77 0.00 -1.98 0.43 103.07 99.57 1f51 h GLY 1014Ca 0.27 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.95 1f51 h GLY 1014CO -0.71 -0.22 -0.06 -2.22 0.00 0.00 0.00 176.54 173.33 1f51 h ILE 1015N -0.15 1.08 0.22 2.60 2.04 -1.84 0.67 117.51 122.13 1f51 h ILE 1015Ca 0.23 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1f51 h ILE 1015Cb 0.53 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1f51 h ILE 1015CO -0.62 0.10 -0.11 -0.09 0.00 0.00 0.00 178.15 177.43 1f51 h ARG 1016N 0.06 -0.29 -0.68 2.37 2.43 -0.45 -1.44 114.38 116.38 1f51 h ARG 1016Ca 0.01 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.33 1f51 h ARG 1016Cb 0.16 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.68 1f51 h ARG 1016CO 0.01 -0.05 0.24 0.82 -1.51 0.00 0.00 179.97 179.47 1f51 h ILE 1017N -1.03 0.68 0.00 1.20 2.04 -0.14 -1.39 117.51 118.87 1f51 h ILE 1017Ca -0.03 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1f51 h ILE 1017Cb 0.37 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1f51 h ILE 1017CO 0.05 0.07 0.00 -0.11 0.00 0.00 0.00 178.15 178.16 1f51 n LEU 1018N -5.03 0.00 -0.26 1.44 7.94 0.22 0.06 117.00 121.37 1f51 n LEU 1018Ca 0.12 0.97 0.20 0.00 -1.11 0.00 0.00 56.01 56.19 1f51 n LEU 1018Cb 0.36 -0.49 0.37 0.00 0.53 0.00 0.00 43.42 44.19 1f51 n LEU 1018CO 0.19 -0.49 0.75 0.18 -1.11 0.00 0.00 177.39 176.91 1f51 n LEU 1019N -1.96 0.14 0.03 -1.96 4.77 -0.54 0.54 117.00 118.02 1f51 n LEU 1019Ca 0.00 1.30 -0.16 0.00 -0.03 0.00 0.00 56.01 57.12 1f51 n LEU 1019Cb 0.00 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.37 1f51 n LEU 1019CO 0.00 -1.40 -0.45 -0.55 -1.33 0.00 0.00 177.39 173.65 1f51 h ASN 1020N 0.00 0.30 0.00 -1.43 -1.07 -1.21 -2.45 115.58 109.73 1f51 h ASN 1020Ca 0.59 -0.49 0.00 0.00 0.07 0.00 0.00 56.30 56.47 1f51 h ASN 1020Cb 1.46 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.62 1f51 h ASN 1020CO -0.65 1.42 0.00 1.21 0.07 0.00 0.00 177.43 179.49 1f51 n GLU 1021N -3.37 0.22 0.00 4.14 2.13 0.19 -0.49 120.64 123.47 1f51 n GLU 1021Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1f51 n GLU 1021Cb 1.04 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.68 1f51 n GLU 1021CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1f51 n VAL 1022N 0.05 0.00 0.16 6.31 0.31 -0.86 -4.70 118.33 119.59 1f51 n VAL 1022Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1f51 n VAL 1022Cb 0.03 -0.62 0.07 0.00 -0.91 0.00 0.00 33.84 32.42 1f51 n VAL 1022CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1f51 h PHE 1023N 0.00 0.00 -0.22 3.52 0.04 -0.29 -3.19 116.94 116.80 1f51 h PHE 1023Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1f51 h PHE 1023Cb 0.74 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 1f51 h PHE 1023CO 0.00 0.31 -0.26 -0.91 -0.60 0.00 0.00 178.31 176.84 1f51 h ASN 1024N 0.00 0.62 0.00 2.17 2.35 -1.33 -2.19 115.58 117.19 1f51 h ASN 1024Ca -0.01 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1f51 h ASN 1024Cb 1.24 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1f51 h ASN 1024CO 0.04 0.99 0.00 0.29 -1.65 0.00 0.00 177.43 177.10 1f51 n LYS 1025N -4.35 0.51 -0.01 0.81 4.01 -1.21 -0.80 118.16 117.12 1f51 n LYS 1025Ca -0.05 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.76 1f51 n LYS 1025Cb 0.45 -1.02 0.01 0.00 -0.51 0.00 0.00 35.03 33.95 1f51 n LYS 1025CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1f51 n GLU 1026N -0.43 2.11 -2.10 1.97 -0.58 -0.92 -5.02 120.64 115.68 1f51 n GLU 1026Ca 0.00 -1.30 -0.04 0.00 -0.42 0.00 0.00 57.16 55.40 1f51 n GLU 1026Cb 0.01 -0.89 0.02 0.00 -0.57 0.00 0.00 31.44 30.01 1f51 n GLU 1026CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f51 n GLY 1027N -0.42 0.33 3.24 0.62 0.00 0.02 -5.07 105.19 103.91 1f51 n GLY 1027Ca 0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1f51 n GLY 1027CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f51 s TYR 1028N -3.10 1.21 -0.39 1.61 2.02 -0.87 -4.18 117.35 113.65 1f51 s TYR 1028Ca 0.08 -1.00 -0.11 0.00 -0.37 0.00 0.00 57.07 55.67 1f51 s TYR 1028Cb -0.01 -0.69 0.04 0.00 -0.40 0.00 0.00 41.96 40.91 1f51 s TYR 1028CO 0.19 -0.19 0.23 -1.14 -1.57 0.00 0.00 175.55 173.07 1f51 s GLN 1029N -3.90 2.77 0.41 -0.62 0.74 -0.60 -4.48 119.66 113.99 1f51 s GLN 1029Ca 0.23 -1.19 -0.17 0.00 0.05 0.00 0.00 55.36 54.28 1f51 s GLN 1029Cb 0.06 -3.76 -0.09 0.00 1.10 0.00 0.00 33.01 30.31 1f51 s GLN 1029CO 0.04 -0.78 0.88 0.95 -0.55 0.00 0.00 175.29 175.82 1f51 s THR 1030N 1.53 4.54 -0.11 -0.34 -4.23 -1.26 -1.64 115.64 114.12 1f51 s THR 1030Ca 0.02 1.19 -0.05 0.00 -1.18 0.00 0.00 61.69 61.66 1f51 s THR 1030Cb -0.20 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.05 1f51 s THR 1030CO 0.06 -0.38 0.26 -0.36 -0.54 0.00 0.00 174.62 173.66 1f51 s PHE 1031N -2.23 -0.36 0.23 3.99 0.08 -0.66 -4.92 117.98 114.11 1f51 s PHE 1031Ca 0.58 0.84 0.07 0.00 0.12 0.00 0.00 56.93 58.54 1f51 s PHE 1031Cb -0.10 0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.37 1f51 s PHE 1031CO 0.20 -0.25 0.13 -0.65 -0.10 0.00 0.00 175.22 174.54 1f51 s GLN 1032N 1.38 2.75 -0.25 0.44 -0.21 -1.26 0.67 119.66 123.19 1f51 s GLN 1032Ca -0.08 -1.09 -0.14 0.00 0.02 0.00 0.00 55.36 54.06 1f51 s GLN 1032Cb -0.10 -2.48 0.08 0.00 1.00 0.00 0.00 33.01 31.50 1f51 s GLN 1032CO -0.09 0.42 0.61 0.00 -2.12 0.00 0.00 175.29 174.11 1f51 s ALA 1033N -2.06 -1.66 -0.45 6.09 0.00 0.39 -4.87 121.76 119.21 1f51 s ALA 1033Ca 0.32 2.18 0.22 0.00 0.00 0.00 0.00 51.96 54.68 1f51 s ALA 1033Cb -0.08 -1.30 -0.07 0.00 0.00 0.00 0.00 23.12 21.67 1f51 s ALA 1033CO 0.23 -0.36 0.90 0.00 0.00 0.00 0.00 175.76 176.53 1f51 n ALA 1034N 4.33 3.23 -3.35 0.00 0.00 -1.26 -2.34 120.51 121.12 1f51 n ALA 1034Ca -0.21 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.66 1f51 n ALA 1034Cb 0.58 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 1f51 n ALA 1034CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1f51 s ASN 1035N -4.22 -0.37 0.14 0.00 2.20 -1.26 -4.29 114.94 107.14 1f51 s ASN 1035Ca 0.01 0.34 -0.09 0.00 -0.94 0.00 0.00 52.86 52.18 1f51 s ASN 1035Cb 0.14 0.41 0.16 0.00 -2.00 0.00 0.00 41.25 39.96 1f51 s ASN 1035CO 0.83 -0.50 0.91 0.61 -2.94 0.00 0.00 177.10 176.00 1f51 n GLY 1036N 1.16 -1.16 0.11 0.45 0.00 -1.26 -0.47 105.19 104.03 1f51 n GLY 1036Ca -0.20 0.65 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 1f51 n GLY 1036CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1f51 h LEU 1037N 0.00 -0.19 -0.76 0.99 3.38 -1.99 0.22 115.31 116.95 1f51 h LEU 1037Ca 0.22 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1f51 h LEU 1037Cb 0.36 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1f51 h LEU 1037CO -0.58 -0.09 0.49 1.56 0.09 0.00 0.00 178.44 179.91 1f51 h GLN 1038N -0.07 0.94 0.36 1.13 4.20 -1.19 -2.27 115.11 118.20 1f51 h GLN 1038Ca 0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1f51 h GLN 1038Cb 0.15 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1f51 h GLN 1038CO -0.12 0.62 -0.47 0.00 -0.67 0.00 0.00 178.83 178.19 1f51 h ALA 1039N 1.31 -0.99 -0.67 3.87 0.00 -0.54 -2.08 119.26 120.15 1f51 h ALA 1039Ca 0.30 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.21 1f51 h ALA 1039Cb -0.02 0.72 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 1f51 h ALA 1039CO -0.10 -1.11 0.05 -0.07 0.00 0.00 0.00 179.25 178.03 1f51 h LEU 1040N -0.87 -0.20 0.27 0.00 -0.00 -0.30 -0.78 115.31 113.43 1f51 h LEU 1040Ca -0.03 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1f51 h LEU 1040Cb 0.80 0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.68 1f51 h LEU 1040CO -0.13 -0.10 -0.47 0.44 -0.00 0.00 0.00 178.44 178.18 1f51 h ASP 1041N 0.16 -1.35 -0.80 -0.43 3.32 -1.04 -0.36 116.42 115.92 1f51 h ASP 1041Ca 0.36 0.13 0.18 0.00 0.02 0.00 0.00 57.03 57.72 1f51 h ASP 1041Cb 0.61 0.48 -0.11 0.00 0.22 0.00 0.00 39.33 40.53 1f51 h ASP 1041CO -0.54 -0.57 0.27 0.40 -1.72 0.00 0.00 179.24 177.08 1f51 h ILE 1042N -0.81 0.52 0.00 0.35 2.04 -0.66 2.02 117.51 120.96 1f51 h ILE 1042Ca -0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1f51 h ILE 1042Cb 0.77 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1f51 h ILE 1042CO -0.18 0.06 0.00 0.58 0.00 0.00 0.00 178.15 178.62 1f51 h VAL 1043N 0.35 0.00 0.00 1.67 2.07 -0.17 0.18 116.25 120.35 1f51 h VAL 1043Ca 0.47 -0.11 -0.21 0.00 0.82 0.00 0.00 66.70 67.66 1f51 h VAL 1043Cb 0.82 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1f51 h VAL 1043CO -0.50 0.00 -1.17 0.74 0.02 0.00 0.00 177.57 176.66 1f51 h THR 1044N 0.00 0.98 0.09 2.57 2.02 0.47 -3.31 112.91 115.73 1f51 h THR 1044Ca 0.00 -2.19 -0.19 0.00 0.77 0.00 0.00 66.41 64.80 1f51 h THR 1044Cb 0.12 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1f51 h THR 1044CO 0.00 0.34 -0.92 0.50 0.37 0.00 0.00 175.52 175.81 1f51 h LYS 1045N -0.99 0.18 -0.17 6.66 3.64 -0.47 -3.37 116.57 122.04 1f51 h LYS 1045Ca -0.32 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 1f51 h LYS 1045Cb 1.29 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1f51 h LYS 1045CO -0.19 1.15 0.00 0.39 -2.27 0.00 0.00 179.45 178.52 1f51 n GLU 1046N -4.19 2.02 -1.92 1.90 -0.58 0.62 -5.00 120.64 113.48 1f51 n GLU 1046Ca -0.19 -1.51 0.00 0.00 -0.42 0.00 0.00 57.16 55.03 1f51 n GLU 1046Cb 0.76 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1f51 n GLU 1046CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1f51 n ARG 1047N 0.76 0.00 -1.03 3.49 0.63 -1.10 -4.86 116.66 114.56 1f51 n ARG 1047Ca 0.17 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.80 1f51 n ARG 1047Cb 0.45 0.00 0.14 0.00 0.45 0.00 0.00 32.46 33.50 1f51 n ARG 1047CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1f51 s PRO 1048N -1.24 1.42 0.02 -0.14 0.04 -1.26 -4.99 135.00 128.86 1f51 s PRO 1048Ca 0.00 1.17 0.16 0.00 0.04 0.00 0.00 61.00 62.37 1f51 s PRO 1048Cb 0.00 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.57 1f51 s PRO 1048CO 0.00 -2.23 0.74 -0.25 0.04 0.00 0.00 177.00 175.30 1f51 n ASP 1049N -3.92 0.82 -3.77 6.66 8.00 -0.74 -4.83 116.55 118.76 1f51 n ASP 1049Ca 0.09 0.37 -0.13 0.00 0.71 0.00 0.00 54.79 55.83 1f51 n ASP 1049Cb 0.53 0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 41.67 1f51 n ASP 1049CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1f51 s LEU 1050N -5.85 0.86 -0.02 0.64 2.96 -0.96 -3.97 118.68 112.34 1f51 s LEU 1050Ca -0.04 0.57 0.07 0.00 -0.22 0.00 0.00 54.13 54.52 1f51 s LEU 1050Cb 0.08 1.04 -0.02 0.00 0.50 0.00 0.00 46.19 47.79 1f51 s LEU 1050CO 0.82 -0.12 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.79 1f51 s VAL 1051N 0.06 2.18 -0.39 1.68 1.01 0.12 -0.45 120.40 124.61 1f51 s VAL 1051Ca -0.01 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 1f51 s VAL 1051Cb -0.02 -1.76 0.08 0.00 0.00 0.00 0.00 36.38 34.67 1f51 s VAL 1051CO 0.01 0.58 0.19 -0.76 0.00 0.00 0.00 175.10 175.12 1f51 s LEU 1052N -0.63 4.90 -0.29 3.92 1.02 0.24 -0.30 118.68 127.54 1f51 s LEU 1052Ca 0.10 -1.53 -0.07 0.00 0.02 0.00 0.00 54.13 52.65 1f51 s LEU 1052Cb -0.10 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.21 1f51 s LEU 1052CO -0.01 -0.47 0.08 -0.22 0.02 0.00 0.00 176.35 175.75 1f51 s LEU 1053N 1.34 3.83 0.16 1.79 2.96 -0.22 0.10 118.68 128.65 1f51 s LEU 1053Ca 0.02 -0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 52.94 1f51 s LEU 1053Cb -0.22 -1.88 -0.07 0.00 0.50 0.00 0.00 46.19 44.52 1f51 s LEU 1053CO 0.01 -0.19 1.12 -0.62 -1.32 0.00 0.00 176.35 175.35 1f51 s ASP 1054N 1.50 7.23 0.00 3.68 2.15 0.17 -0.90 116.67 130.49 1f51 s ASP 1054Ca 0.03 2.08 0.21 0.00 0.43 0.00 0.00 52.55 55.30 1f51 s ASP 1054Cb -0.17 -2.60 -0.06 0.00 -0.30 0.00 0.00 42.92 39.79 1f51 s ASP 1054CO 0.02 -0.26 0.99 0.23 -0.17 0.00 0.00 175.17 175.98 1f51 n MET 1055N 2.59 1.09 -1.36 4.34 2.81 -0.91 -4.32 117.12 121.35 1f51 n MET 1055Ca 0.04 -0.73 -0.25 0.00 -1.81 0.00 0.00 57.70 54.95 1f51 n MET 1055Cb 0.46 -1.44 0.11 0.00 -0.71 0.00 0.00 33.22 31.64 1f51 n MET 1055CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1f51 n LYS 1056N -0.38 2.65 -3.00 0.03 4.76 -1.26 -4.03 118.16 116.93 1f51 n LYS 1056Ca 0.08 -3.42 -0.42 0.00 -2.87 0.00 0.00 58.31 51.68 1f51 n LYS 1056Cb 0.41 -2.17 -0.05 0.00 -1.84 0.00 0.00 35.03 31.38 1f51 n LYS 1056CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1f51 s ILE 1057N -4.20 4.83 0.73 -0.18 1.01 -1.26 -4.98 121.20 117.15 1f51 s ILE 1057Ca 0.56 1.05 -0.15 0.00 0.00 0.00 0.00 60.65 62.11 1f51 s ILE 1057Cb 0.46 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.86 1f51 s ILE 1057CO 0.02 -0.24 1.22 -2.84 0.00 0.00 0.00 174.94 173.11 1f51 s PRO 1058N 2.87 2.13 0.06 2.79 0.02 -1.26 -3.89 135.00 137.71 1f51 s PRO 1058Ca 0.30 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1f51 s PRO 1058Cb -0.14 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1f51 s PRO 1058CO 0.13 -1.86 0.00 0.41 -0.33 0.00 0.00 177.00 175.35 1f51 n GLY 1059N 0.51 0.71 3.83 0.52 0.00 -1.26 -4.94 105.19 104.56 1f51 n GLY 1059Ca 0.14 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1f51 n GLY 1059CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1f51 s MET 1060N 0.00 3.83 -0.14 1.61 -2.45 -1.25 -5.04 119.30 115.86 1f51 s MET 1060Ca 0.00 0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 54.37 1f51 s MET 1060Cb 0.00 -3.24 -0.03 0.00 1.25 0.00 0.00 34.83 32.81 1f51 s MET 1060CO 0.00 0.65 1.46 0.34 1.05 0.00 0.00 175.02 178.52 1f51 s ASP 1061N -0.85 6.75 0.11 1.11 3.68 -1.26 -4.59 116.67 121.62 1f51 s ASP 1061Ca 0.20 1.86 0.06 0.00 2.13 0.00 0.00 52.55 56.81 1f51 s ASP 1061Cb -0.15 -2.54 0.33 0.00 -1.45 0.00 0.00 42.92 39.12 1f51 s ASP 1061CO 0.10 -0.90 1.13 0.61 0.13 0.00 0.00 175.17 176.23 1f51 n GLY 1062N 3.98 -0.54 0.16 2.66 0.00 -1.26 -0.69 105.19 109.50 1f51 n GLY 1062Ca 0.16 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.34 1f51 n GLY 1062CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1f51 n ILE 1063N -1.68 0.00 -0.06 -0.61 3.06 -1.26 -3.46 119.36 115.35 1f51 n ILE 1063Ca -0.00 -0.09 -0.11 0.00 -2.50 0.00 0.00 62.75 60.05 1f51 n ILE 1063Cb 0.09 1.08 -0.15 0.00 0.54 0.00 0.00 39.64 41.21 1f51 n ILE 1063CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1f51 n GLU 1064N -1.01 0.67 0.07 9.51 4.07 0.14 -3.36 120.64 130.73 1f51 n GLU 1064Ca 0.06 0.16 0.13 0.00 -0.06 0.00 0.00 57.16 57.45 1f51 n GLU 1064Cb 0.37 -1.66 0.36 0.00 -0.06 0.00 0.00 31.44 30.45 1f51 n GLU 1064CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1f51 n ILE 1065N -2.97 0.40 -0.05 6.31 -5.35 -1.05 -2.03 119.36 114.61 1f51 n ILE 1065Ca -0.26 -0.22 -0.14 0.00 -0.27 0.00 0.00 62.75 61.86 1f51 n ILE 1065Cb 1.09 -0.39 -0.12 0.00 -1.74 0.00 0.00 39.64 38.48 1f51 n ILE 1065CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1f51 h LEU 1066N 0.00 0.04 -0.47 7.28 6.46 -1.68 -0.05 115.31 126.89 1f51 h LEU 1066Ca 0.00 -0.86 0.07 0.00 -0.12 0.00 0.00 57.88 56.97 1f51 h LEU 1066Cb 0.69 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.55 1f51 h LEU 1066CO 0.00 0.89 0.12 0.11 -0.62 0.00 0.00 178.44 178.94 1f51 h LYS 1067N -0.81 0.26 -0.48 1.25 1.57 -1.55 -1.12 116.57 115.68 1f51 h LYS 1067Ca -0.01 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1f51 h LYS 1067Cb 0.90 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1f51 h LYS 1067CO 0.01 0.17 -0.10 0.00 -0.57 0.00 0.00 179.45 178.96 1f51 h ARG 1068N 0.27 0.88 -0.49 3.15 3.08 -1.47 -0.57 114.38 119.23 1f51 h ARG 1068Ca 0.23 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1f51 h ARG 1068Cb 0.28 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1f51 h ARG 1068CO -0.28 0.94 0.11 1.98 -1.07 0.00 0.00 179.97 181.66 1f51 h MET 1069N 0.80 0.74 0.00 0.04 4.05 -0.41 -2.19 114.93 117.95 1f51 h MET 1069Ca 0.13 -0.14 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 1f51 h MET 1069Cb 0.61 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1f51 h MET 1069CO 0.04 0.67 -0.45 0.87 0.23 0.00 0.00 176.91 178.27 1f51 h LYS 1070N 0.72 0.00 0.00 0.39 1.57 -0.88 -2.03 116.57 116.34 1f51 h LYS 1070Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1f51 h LYS 1070Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1f51 h LYS 1070CO -0.00 0.37 -0.05 0.28 -0.57 0.00 0.00 179.45 179.48 1f51 h VAL 1071N 0.00 0.20 0.03 0.50 2.07 -0.47 -2.65 116.25 115.92 1f51 h VAL 1071Ca -0.01 -0.44 -0.27 0.00 0.82 0.00 0.00 66.70 66.80 1f51 h VAL 1071Cb 1.30 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1f51 h VAL 1071CO 0.05 0.05 -1.46 -0.38 0.02 0.00 0.00 177.57 175.85 1f51 n ILE 1072N -3.26 1.59 -3.66 4.57 5.41 -1.06 -4.80 119.36 118.15 1f51 n ILE 1072Ca -0.01 -0.18 -0.29 0.00 1.00 0.00 0.00 62.75 63.27 1f51 n ILE 1072Cb 0.24 -1.97 -0.14 0.00 -0.71 0.00 0.00 39.64 37.06 1f51 n ILE 1072CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1f51 s ASP 1073N -6.92 3.70 0.63 4.38 2.15 -0.78 -4.98 116.67 114.87 1f51 s ASP 1073Ca -0.28 -1.93 0.24 0.00 0.43 0.00 0.00 52.55 51.02 1f51 s ASP 1073Cb 0.06 -0.77 1.22 0.00 -0.30 0.00 0.00 42.92 43.14 1f51 s ASP 1073CO 0.63 -0.36 1.68 -0.33 -0.17 0.00 0.00 175.17 176.62 1f51 h GLU 1074N 7.62 0.00 -0.32 4.34 5.08 -1.77 0.60 114.58 130.14 1f51 h GLU 1074Ca -0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1f51 h GLU 1074Cb 0.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1f51 h GLU 1074CO 0.44 0.00 0.01 0.09 -1.00 0.00 0.00 179.01 178.55 1f51 n ASN 1075N -3.13 3.75 -4.77 1.42 4.13 -1.26 -5.01 115.26 110.38 1f51 n ASN 1075Ca 0.05 -3.16 -0.41 0.00 1.68 0.00 0.00 54.58 52.74 1f51 n ASN 1075Cb 0.72 -0.58 -0.02 0.00 -1.54 0.00 0.00 39.78 38.37 1f51 n ASN 1075CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1f51 s ILE 1076N -2.91 2.62 -0.27 2.41 1.10 0.21 -4.99 121.20 119.37 1f51 s ILE 1076Ca 0.44 0.62 -0.05 0.00 -0.51 0.00 0.00 60.65 61.15 1f51 s ILE 1076Cb 0.36 -3.40 0.01 0.00 0.15 0.00 0.00 42.46 39.58 1f51 s ILE 1076CO 0.08 0.15 0.02 -0.13 -2.11 0.00 0.00 174.94 172.95 1f51 s ARG 1077N -1.83 3.13 -0.07 3.50 0.52 -1.25 -5.03 118.95 117.91 1f51 s ARG 1077Ca 0.49 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 1f51 s ARG 1077Cb -0.41 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 31.86 1f51 s ARG 1077CO 0.54 -0.36 -0.19 0.08 0.02 0.00 0.00 175.30 175.39 1f51 s VAL 1078N 1.46 1.66 -0.18 3.52 1.01 -1.26 0.12 120.40 126.73 1f51 s VAL 1078Ca 0.03 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1f51 s VAL 1078Cb -0.16 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1f51 s VAL 1078CO -0.00 0.47 -0.01 -0.63 0.00 0.00 0.00 175.10 174.93 1f51 s ILE 1079N 0.30 4.00 -0.05 2.22 1.01 0.59 -1.31 121.20 127.97 1f51 s ILE 1079Ca -0.12 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1f51 s ILE 1079Cb -0.15 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1f51 s ILE 1079CO 0.05 0.46 0.24 0.27 0.00 0.00 0.00 174.94 175.96 1f51 s ILE 1080N 0.68 5.34 -0.33 2.92 -4.36 -0.72 -1.05 121.20 123.68 1f51 s ILE 1080Ca -0.01 0.31 -0.07 0.00 -0.26 0.00 0.00 60.65 60.63 1f51 s ILE 1080Cb -0.14 -3.52 0.03 0.00 1.25 0.00 0.00 42.46 40.07 1f51 s ILE 1080CO 0.02 0.52 0.10 -0.04 0.24 0.00 0.00 174.94 175.78 1f51 s MET 1081N -1.32 2.77 0.10 0.37 -1.94 -0.08 -1.09 119.30 118.11 1f51 s MET 1081Ca 0.21 -1.08 0.01 0.00 -1.71 0.00 0.00 55.69 53.13 1f51 s MET 1081Cb -0.13 -3.45 0.01 0.00 2.01 0.00 0.00 34.83 33.27 1f51 s MET 1081CO 0.10 -0.60 0.07 0.25 -0.01 0.00 0.00 175.02 174.84 1f51 n THR 1082N 4.84 0.00 -4.68 2.05 -2.24 0.46 -2.14 114.28 112.57 1f51 n THR 1082Ca -0.13 -0.38 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 1f51 n THR 1082Cb 0.46 -0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 68.14 1f51 n THR 1082CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f51 s ALA 1083N -2.14 2.90 0.30 6.98 0.00 -1.26 -2.64 121.76 125.90 1f51 s ALA 1083Ca 0.05 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 1f51 s ALA 1083Cb -0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 23.12 21.80 1f51 s ALA 1083CO 0.03 0.54 1.35 0.98 0.00 0.00 0.00 175.76 178.66 1f51 n TYR 1084N 2.35 2.26 0.00 0.00 9.36 -1.26 -2.79 117.16 127.07 1f51 n TYR 1084Ca -0.18 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1f51 n TYR 1084Cb 0.53 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.80 1f51 n TYR 1084CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1f51 n GLY 1085N 1.38 1.38 2.48 2.98 0.00 -1.26 -4.94 105.19 107.20 1f51 n GLY 1085Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1f51 n GLY 1085CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f51 n GLU 1086N -2.00 4.23 -0.31 1.61 1.02 -1.12 -4.73 120.64 119.34 1f51 n GLU 1086Ca 0.00 -3.12 -0.08 0.00 -0.02 0.00 0.00 57.16 53.94 1f51 n GLU 1086Cb 0.00 -2.72 -0.08 0.00 -0.02 0.00 0.00 31.44 28.62 1f51 n GLU 1086CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1f51 h LEU 1087N 6.28 -1.64 -1.69 -4.62 4.07 -1.92 -0.83 115.31 114.95 1f51 h LEU 1087Ca 0.72 0.25 0.14 0.00 0.08 0.00 0.00 57.88 59.06 1f51 h LEU 1087Cb 0.34 0.73 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1f51 h LEU 1087CO 1.59 -0.18 0.62 0.44 -1.08 0.00 0.00 178.44 179.83 1f51 h ASP 1088N -0.01 0.00 0.32 -0.43 5.19 -1.85 0.14 116.42 119.78 1f51 h ASP 1088Ca 0.12 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.20 1f51 h ASP 1088Cb 0.32 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1f51 h ASP 1088CO -0.71 0.00 -1.75 -0.03 -3.12 0.00 0.00 179.24 173.64 1f51 h MET 1089N 0.00 0.23 -0.05 3.56 4.05 -1.54 -3.34 114.93 117.84 1f51 h MET 1089Ca 0.22 -0.39 0.02 0.00 -0.28 0.00 0.00 59.70 59.27 1f51 h MET 1089Cb 1.47 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 32.40 1f51 h MET 1089CO -0.00 1.06 -0.06 0.82 0.23 0.00 0.00 176.91 178.96 1f51 h ILE 1090N 0.06 0.83 -2.86 1.77 2.04 -0.82 -2.63 117.51 115.90 1f51 h ILE 1090Ca -0.32 0.00 -0.67 0.00 1.00 0.00 0.00 64.86 64.86 1f51 h ILE 1090Cb 2.03 0.83 -0.18 0.00 -0.74 0.00 0.00 36.82 38.77 1f51 h ILE 1090CO 0.13 0.00 0.26 -1.58 0.00 0.00 0.00 178.15 176.95 1f51 s GLN 1091N -6.18 3.08 0.00 2.37 2.00 -0.61 -1.54 119.66 118.78 1f51 s GLN 1091Ca -0.14 -1.10 0.00 0.00 -2.00 0.00 0.00 55.36 52.13 1f51 s GLN 1091Cb 0.08 -4.23 0.00 0.00 0.80 0.00 0.00 33.01 29.66 1f51 s GLN 1091CO 0.67 -1.60 0.00 -1.91 -0.50 0.00 0.00 175.29 171.95 1f51 n GLU 1092N 6.79 0.00 0.00 1.67 2.13 -1.22 -4.67 120.64 125.34 1f51 n GLU 1092Ca -0.07 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.88 1f51 n GLU 1092Cb 0.44 0.00 0.50 0.00 0.27 0.00 0.00 31.44 32.65 1f51 n GLU 1092CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1f51 n SER 1093N 0.00 0.37 0.06 4.31 3.41 -0.99 -2.78 113.62 117.99 1f51 n SER 1093Ca 0.00 -0.19 -0.18 0.00 -0.26 0.00 0.00 58.87 58.23 1f51 n SER 1093Cb 0.00 -0.10 -0.14 0.00 -0.26 0.00 0.00 64.21 63.71 1f51 n SER 1093CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1f51 h LYS 1094N 0.27 0.28 0.00 4.33 3.64 -1.52 -0.52 116.57 123.05 1f51 h LYS 1094Ca 0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1f51 h LYS 1094Cb 0.44 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1f51 h LYS 1094CO 0.00 1.14 0.00 0.39 -2.27 0.00 0.00 179.45 178.71 1f51 n GLU 1095N -3.47 0.23 -0.25 1.90 1.02 -1.20 -1.93 120.64 116.93 1f51 n GLU 1095Ca -0.20 0.27 0.10 0.00 -0.02 0.00 0.00 57.16 57.31 1f51 n GLU 1095Cb 1.05 -1.81 0.26 0.00 -0.02 0.00 0.00 31.44 30.93 1f51 n GLU 1095CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1f51 n LEU 1096N -2.21 3.04 0.00 -4.62 4.77 -1.12 -4.92 117.00 111.94 1f51 n LEU 1096Ca 0.05 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 1f51 n LEU 1096Cb 0.36 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1f51 n LEU 1096CO 0.27 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1f51 n GLY 1097N 1.41 1.64 3.71 -0.72 0.00 -0.81 -4.92 105.19 105.49 1f51 n GLY 1097Ca 0.19 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1f51 n GLY 1097CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f51 s ALA 1098N -2.00 3.47 0.29 4.61 0.00 -0.20 -4.46 121.76 123.46 1f51 s ALA 1098Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 1f51 s ALA 1098Cb 0.00 -2.76 0.43 0.00 0.00 0.00 0.00 23.12 20.79 1f51 s ALA 1098CO 0.00 -0.14 1.84 -0.07 0.00 0.00 0.00 175.76 177.39 1f51 h LEU 1099N 7.06 0.73 -7.76 0.00 -0.00 -1.51 -3.43 115.31 110.39 1f51 h LEU 1099Ca -0.39 -0.13 0.39 0.00 -0.00 0.00 0.00 57.88 57.76 1f51 h LEU 1099Cb 1.17 -0.19 -0.09 0.00 -0.00 0.00 0.00 40.66 41.55 1f51 h LEU 1099CO 0.75 0.72 0.99 0.28 -0.00 0.00 0.00 178.44 181.18 1f51 s THR 1100N -5.18 0.00 0.07 0.22 -1.32 -1.26 -5.07 115.64 103.11 1f51 s THR 1100Ca -0.09 -0.05 0.01 0.00 -1.21 0.00 0.00 61.69 60.35 1f51 s THR 1100Cb 0.15 -2.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.36 1f51 s THR 1100CO 0.79 0.00 -0.06 -1.38 -2.21 0.00 0.00 174.62 171.77 1f51 s HIS 1101N -2.03 0.73 -0.04 9.09 -3.43 -1.26 -1.76 115.29 116.59 1f51 s HIS 1101Ca 0.28 -0.83 -0.00 0.00 -0.80 0.00 0.00 55.06 53.70 1f51 s HIS 1101Cb 0.02 -0.44 0.03 0.00 -1.43 0.00 0.00 32.58 30.75 1f51 s HIS 1101CO -0.03 -0.19 -0.01 -0.06 -2.00 0.00 0.00 174.74 172.45 1f51 s PHE 1102N -3.08 0.49 0.31 0.38 0.08 -0.25 -4.96 117.98 110.96 1f51 s PHE 1102Ca 0.04 -0.07 0.02 0.00 0.12 0.00 0.00 56.93 57.04 1f51 s PHE 1102Cb 0.02 -0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 41.86 1f51 s PHE 1102CO -0.05 -0.20 0.48 0.00 -0.10 0.00 0.00 175.22 175.36 1f51 s ALA 1103N 1.30 3.81 0.07 5.36 0.00 -1.26 -0.40 121.76 130.64 1f51 s ALA 1103Ca -0.06 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 1f51 s ALA 1103Cb -0.13 -1.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 1f51 s ALA 1103CO -0.02 0.05 0.42 0.15 0.00 0.00 0.00 175.76 176.36 1f51 s LYS 1104N -4.20 3.82 0.70 0.00 1.02 -1.08 -3.73 119.74 116.26 1f51 s LYS 1104Ca 0.39 0.27 -0.09 0.00 0.02 0.00 0.00 55.97 56.56 1f51 s LYS 1104Cb -0.09 -3.04 0.04 0.00 -0.52 0.00 0.00 37.83 34.22 1f51 s LYS 1104CO 0.33 0.58 1.04 -2.14 -0.92 0.00 0.00 175.35 174.24 1f51 s PRO 1105N -1.72 2.46 0.18 -1.68 0.02 -1.26 -4.62 135.00 128.39 1f51 s PRO 1105Ca 0.31 0.03 0.02 0.00 0.02 0.00 0.00 61.00 61.39 1f51 s PRO 1105Cb -0.15 -2.12 -0.05 0.00 0.02 0.00 0.00 34.50 32.21 1f51 s PRO 1105CO 0.17 -1.14 -0.00 -0.59 -0.33 0.00 0.00 177.00 175.10 1f51 s PHE 1106N -3.28 1.29 -0.54 6.54 -0.12 -1.24 -5.09 117.98 115.54 1f51 s PHE 1106Ca 0.59 -0.98 -0.23 0.00 -0.05 0.00 0.00 56.93 56.25 1f51 s PHE 1106Cb -0.11 -0.73 0.04 0.00 -0.63 0.00 0.00 43.02 41.59 1f51 s PHE 1106CO 0.47 -0.16 0.88 -0.51 -0.05 0.00 0.00 175.22 175.85 1f51 s ASP 1107N -3.20 6.33 0.00 1.98 1.11 -1.26 -4.88 116.67 116.75 1f51 s ASP 1107Ca 0.24 -0.42 0.00 0.00 0.18 0.00 0.00 52.55 52.56 1f51 s ASP 1107Cb 0.06 -2.41 0.00 0.00 1.07 0.00 0.00 42.92 41.64 1f51 s ASP 1107CO 0.05 -1.15 0.61 0.00 1.18 0.00 0.00 175.17 175.85 1f51 n ILE 1108N 6.10 0.61 -0.02 0.77 3.06 -1.26 -0.29 119.36 128.34 1f51 n ILE 1108Ca 0.01 0.43 -0.02 0.00 -2.50 0.00 0.00 62.75 60.66 1f51 n ILE 1108Cb 0.47 -1.43 -0.13 0.00 0.54 0.00 0.00 39.64 39.09 1f51 n ILE 1108CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1f51 n ASP 1109N -1.11 0.47 -0.90 9.51 8.00 -1.26 -3.52 116.55 127.74 1f51 n ASP 1109Ca 0.00 0.21 0.11 0.00 0.71 0.00 0.00 54.79 55.82 1f51 n ASP 1109Cb 0.28 0.66 0.28 0.00 -0.02 0.00 0.00 41.12 42.32 1f51 n ASP 1109CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1f51 n GLU 1110N -2.77 2.17 0.02 -1.24 0.28 0.60 -2.93 120.64 116.77 1f51 n GLU 1110Ca -0.17 -1.78 -0.22 0.00 -0.16 0.00 0.00 57.16 54.84 1f51 n GLU 1110Cb 0.92 -1.45 -0.14 0.00 1.43 0.00 0.00 31.44 32.20 1f51 n GLU 1110CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1f51 h ILE 1111N 3.44 0.75 -0.07 3.84 1.08 -1.65 -3.14 117.51 121.75 1f51 h ILE 1111Ca 0.00 -2.38 -0.01 0.00 -0.39 0.00 0.00 64.86 62.09 1f51 h ILE 1111Cb 0.76 2.57 -0.00 0.00 -3.07 0.00 0.00 36.82 37.08 1f51 h ILE 1111CO 0.00 0.84 0.02 -0.09 -0.69 0.00 0.00 178.15 178.23 1f51 h ARG 1112N -0.01 0.12 -0.02 2.37 2.43 -1.59 -1.45 114.38 116.22 1f51 h ARG 1112Ca -0.39 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.76 1f51 h ARG 1112Cb 1.99 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1f51 h ARG 1112CO 0.09 0.31 0.05 -0.44 -1.51 0.00 0.00 179.97 178.47 1f51 h ASP 1113N -0.09 0.00 0.03 -3.80 3.32 -1.67 -1.79 116.42 112.42 1f51 h ASP 1113Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1f51 h ASP 1113Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1f51 h ASP 1113CO 0.00 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.51 1f51 h ALA 1114N 1.91 -0.04 -0.16 3.45 0.00 -1.24 -1.27 119.26 121.92 1f51 h ALA 1114Ca 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1f51 h ALA 1114Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1f51 h ALA 1114CO -0.00 -0.08 -0.00 -0.39 0.00 0.00 0.00 179.25 178.78 1f51 h VAL 1115N -0.92 1.11 -0.21 0.00 -1.51 -1.03 -1.77 116.25 111.91 1f51 h VAL 1115Ca -0.00 -0.42 -0.11 0.00 -1.23 0.00 0.00 66.70 64.94 1f51 h VAL 1115Cb 0.70 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1f51 h VAL 1115CO 0.01 0.14 -0.33 0.11 -1.23 0.00 0.00 177.57 176.27 1f51 h LYS 1116N 0.23 0.43 0.00 5.19 1.57 -1.37 0.16 116.57 122.78 1f51 h LYS 1116Ca 0.05 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1f51 h LYS 1116Cb 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1f51 h LYS 1116CO 0.00 0.71 -0.44 -0.22 -0.57 0.00 0.00 179.45 178.93 1f51 h LYS 1117N 0.37 0.00 -0.01 3.15 3.64 -0.39 -3.34 116.57 119.98 1f51 h LYS 1117Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1f51 h LYS 1117Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1f51 h LYS 1117CO 0.06 0.23 -0.33 0.66 -2.27 0.00 0.00 179.45 177.79 1f51 n TYR 1118N -3.09 0.00 -2.41 1.91 4.01 -0.83 -4.89 117.16 111.87 1f51 n TYR 1118Ca 0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 1f51 n TYR 1118Cb 0.64 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.64 1f51 n TYR 1118CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1f51 s LEU 1119N -1.98 3.36 1.08 7.72 2.96 0.04 -4.99 118.68 126.88 1f51 s LEU 1119Ca 0.09 0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 53.97 1f51 s LEU 1119Cb 0.09 -2.94 0.10 0.00 0.50 0.00 0.00 46.19 43.95 1f51 s LEU 1119CO 0.35 -1.76 0.19 -2.65 -1.32 0.00 0.00 176.35 171.16 1f51 n PRO 1120N 8.81 -1.36 0.00 0.98 -0.02 -1.26 -4.97 135.00 137.18 1f51 n PRO 1120Ca 0.11 -0.37 0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1f51 n PRO 1120Cb 0.49 -1.78 0.80 0.00 -0.02 0.00 0.00 33.50 32.99 1f51 n PRO 1120CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76