#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juf s GLN 1002N 0.00 0.61 -0.04 0.38 -0.21 -1.26 -4.64 119.66 114.50 1juf s GLN 1002Ca 0.00 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 54.65 1juf s GLN 1002Cb 0.00 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.22 1juf s GLN 1002CO 0.00 -0.16 -0.12 0.15 -2.12 0.00 0.00 175.29 173.04 1juf s LYS 1003N -2.69 2.54 -0.44 2.91 1.02 -0.78 -4.92 119.74 117.37 1juf s LYS 1003Ca -0.04 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 55.02 1juf s LYS 1003Cb -0.01 -2.43 0.02 0.00 -0.52 0.00 0.00 37.83 34.90 1juf s LYS 1003CO -0.05 0.63 0.90 0.95 -0.92 0.00 0.00 175.35 176.86 1juf s THR 1004N -0.80 4.52 0.28 2.17 -4.23 -1.25 -3.42 115.64 112.91 1juf s THR 1004Ca 0.13 0.81 -0.28 0.00 -1.18 0.00 0.00 61.69 61.17 1juf s THR 1004Cb -0.11 -4.39 -0.15 0.00 1.34 0.00 0.00 72.50 69.19 1juf s THR 1004CO 0.02 -0.75 0.86 -0.81 -0.54 0.00 0.00 174.62 173.40 1juf n PRO 1005N 7.02 0.96 -4.00 3.99 -0.04 -1.25 -4.82 135.00 136.86 1juf n PRO 1005Ca 0.06 0.34 -0.36 0.00 -0.04 0.00 0.00 63.50 63.49 1juf n PRO 1005Cb 0.48 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1juf n PRO 1005CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1juf s GLN 1006N -1.43 3.35 -0.02 0.54 -1.52 -0.50 -4.94 119.66 115.15 1juf s GLN 1006Ca 0.60 -0.20 0.05 0.00 -1.95 0.00 0.00 55.36 53.86 1juf s GLN 1006Cb -0.75 -3.10 -0.01 0.00 -0.22 0.00 0.00 33.01 28.93 1juf s GLN 1006CO 0.59 0.74 -0.16 0.42 -0.25 0.00 0.00 175.29 176.64 1juf s ILE 1007N -0.94 1.23 -0.05 1.08 1.01 -1.26 -1.91 121.20 120.36 1juf s ILE 1007Ca 0.14 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1juf s ILE 1007Cb -0.12 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1juf s ILE 1007CO 0.03 0.35 -0.10 -1.10 0.00 0.00 0.00 174.94 174.12 1juf s GLN 1008N -0.30 1.39 -0.16 2.79 -0.21 -0.57 -4.99 119.66 117.62 1juf s GLN 1008Ca 0.05 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.09 1juf s GLN 1008Cb -0.07 -1.20 0.01 0.00 1.00 0.00 0.00 33.01 32.75 1juf s GLN 1008CO -0.00 0.03 -0.18 0.08 -2.12 0.00 0.00 175.29 173.10 1juf s VAL 1009N 0.59 2.37 0.19 1.09 1.01 -1.26 -0.73 120.40 123.66 1juf s VAL 1009Ca -0.11 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 1juf s VAL 1009Cb -0.14 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.31 1juf s VAL 1009CO 0.02 0.53 0.68 -0.72 0.00 0.00 0.00 175.10 175.61 1juf s TYR 1010N 0.96 -0.39 0.30 5.22 1.13 -0.66 -4.57 117.35 119.35 1juf s TYR 1010Ca -0.03 0.09 -0.08 0.00 -1.41 0.00 0.00 57.07 55.64 1juf s TYR 1010Cb -0.15 0.61 -0.06 0.00 -1.10 0.00 0.00 41.96 41.26 1juf s TYR 1010CO -0.04 -0.96 0.61 -1.54 -2.51 0.00 0.00 175.55 171.12 1juf s SER 1011N -2.80 6.53 0.12 -0.18 1.04 -1.26 0.15 113.70 117.30 1juf s SER 1011Ca 0.05 0.90 -0.14 0.00 0.48 0.00 0.00 55.95 57.25 1juf s SER 1011Cb -0.03 -2.22 -0.06 0.00 0.10 0.00 0.00 66.02 63.81 1juf s SER 1011CO -0.05 -0.21 1.46 -0.09 0.98 0.00 0.00 173.24 175.33 1juf h ARG 1012N 1.84 0.78 -6.47 4.02 2.43 -1.26 -3.45 114.38 112.27 1juf h ARG 1012Ca -0.47 -0.38 -0.63 0.00 -0.81 0.00 0.00 59.98 57.68 1juf h ARG 1012Cb 1.18 -0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.58 1juf h ARG 1012CO 0.66 1.01 -0.74 -1.01 -1.51 0.00 0.00 179.97 178.38 1juf s HIS 1013N -4.48 2.56 0.21 2.20 3.76 -1.26 -5.05 115.29 113.23 1juf s HIS 1013Ca -0.12 -0.25 -0.32 0.00 -0.15 0.00 0.00 55.06 54.22 1juf s HIS 1013Cb 0.10 -1.25 -0.14 0.00 1.11 0.00 0.00 32.58 32.40 1juf s HIS 1013CO 0.84 0.51 1.40 -2.30 -0.85 0.00 0.00 174.74 174.34 1juf n PRO 1014N 0.06 1.89 -2.62 8.40 -0.02 -1.26 -4.89 135.00 136.57 1juf n PRO 1014Ca -0.11 0.68 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 1juf n PRO 1014Cb 0.56 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 1juf n PRO 1014CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1juf s PRO 1015N -0.14 4.59 -0.03 0.52 0.04 -1.26 -5.06 135.00 133.64 1juf s PRO 1015Ca 0.71 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 1juf s PRO 1015Cb -0.70 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 30.87 1juf s PRO 1015CO 0.48 0.23 0.04 -1.21 0.04 0.00 0.00 177.00 176.58 1juf s GLU 1016N -1.72 0.04 0.23 4.56 2.02 -1.26 -5.12 118.70 117.45 1juf s GLU 1016Ca 0.47 0.26 -0.32 0.00 0.02 0.00 0.00 54.97 55.41 1juf s GLU 1016Cb -0.26 -0.46 -0.13 0.00 0.10 0.00 0.00 34.13 33.38 1juf s GLU 1016CO 0.32 -0.25 1.52 0.09 0.02 0.00 0.00 175.26 176.96 1juf n ASN 1017N 4.79 3.20 0.00 -0.19 3.02 -1.26 -1.61 115.26 123.21 1juf n ASN 1017Ca -0.14 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 1juf n ASN 1017Cb 0.50 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 1juf n ASN 1017CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1juf n GLY 1018N 2.61 1.75 3.59 7.41 0.00 -0.08 -4.99 105.19 115.49 1juf n GLY 1018Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1juf n GLY 1018CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1juf s LYS 1019N -0.55 3.94 0.22 1.61 2.20 -0.63 -4.98 119.74 121.54 1juf s LYS 1019Ca 0.00 -0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 54.96 1juf s LYS 1019Cb 0.00 -3.49 -0.15 0.00 -1.51 0.00 0.00 37.83 32.68 1juf s LYS 1019CO 0.00 -0.04 1.21 -2.30 -0.36 0.00 0.00 175.35 173.87 1juf n PRO 1020N 4.56 1.48 -1.44 4.03 -0.02 -1.26 -4.28 135.00 138.07 1juf n PRO 1020Ca -0.15 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1juf n PRO 1020Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1juf n PRO 1020CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1juf n ASN 1021N 1.90 0.00 -3.90 2.55 2.85 1.00 -4.99 115.26 114.67 1juf n ASN 1021Ca 0.13 -0.88 -0.21 0.00 -0.11 0.00 0.00 54.58 53.51 1juf n ASN 1021Cb 0.28 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.14 1juf n ASN 1021CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1juf s ILE 1022N -2.28 0.63 -0.21 -1.44 1.01 -1.26 -1.94 121.20 115.72 1juf s ILE 1022Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 1juf s ILE 1022Cb 0.00 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 1juf s ILE 1022CO 0.00 0.25 0.13 -0.22 0.00 0.00 0.00 174.94 175.10 1juf s LEU 1023N 1.01 4.16 0.09 2.97 2.96 0.22 -0.65 118.68 129.45 1juf s LEU 1023Ca -0.09 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1juf s LEU 1023Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1juf s LEU 1023CO -0.00 0.16 -0.03 0.20 -1.32 0.00 0.00 176.35 175.36 1juf s ASN 1024N 0.49 4.85 -0.24 3.68 0.01 0.12 -1.36 114.94 122.50 1juf s ASN 1024Ca 0.08 -0.24 -0.04 0.00 -0.71 0.00 0.00 52.86 51.95 1juf s ASN 1024Cb -0.12 -1.10 0.08 0.00 0.41 0.00 0.00 41.25 40.53 1juf s ASN 1024CO -0.01 0.18 0.09 0.00 -1.51 0.00 0.00 177.10 175.85 1juf s TYR 1026N 2.00 3.18 -0.14 0.00 5.04 0.09 -0.76 117.35 126.76 1juf s TYR 1026Ca 0.05 -0.35 0.01 0.00 -2.44 0.00 0.00 57.07 54.34 1juf s TYR 1026Cb -0.16 -2.36 -0.00 0.00 0.35 0.00 0.00 41.96 39.79 1juf s TYR 1026CO -0.21 -0.36 -0.18 0.08 -1.34 0.00 0.00 175.55 173.54 1juf s VAL 1027N 1.66 2.50 0.32 3.14 1.01 -0.45 -1.51 120.40 127.08 1juf s VAL 1027Ca 0.06 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1juf s VAL 1027Cb -0.17 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1juf s VAL 1027CO 0.07 0.53 0.14 0.42 0.00 0.00 0.00 175.10 176.26 1juf s THR 1028N 0.71 0.48 -1.43 3.92 -4.23 -0.80 -0.32 115.64 113.97 1juf s THR 1028Ca -0.08 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.33 1juf s THR 1028Cb -0.16 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.20 1juf s THR 1028CO 0.01 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.16 1juf n GLN 1029N -0.64 -6.68 -4.44 3.99 1.13 -0.92 -1.41 117.38 108.41 1juf n GLN 1029Ca -0.01 0.71 -0.24 0.00 -1.94 0.00 0.00 57.00 55.53 1juf n GLN 1029Cb 0.65 -5.67 -0.10 0.00 0.11 0.00 0.00 30.24 25.23 1juf n GLN 1029CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1juf s PHE 1030N -3.33 2.34 -0.29 1.08 -0.71 -1.08 -3.81 117.98 112.18 1juf s PHE 1030Ca 0.57 -0.32 -0.19 0.00 -1.04 0.00 0.00 56.93 55.96 1juf s PHE 1030Cb -0.27 -1.03 0.13 0.00 -1.21 0.00 0.00 43.02 40.64 1juf s PHE 1030CO 0.78 0.68 0.97 -1.58 -1.34 0.00 0.00 175.22 174.73 1juf s HIS 1031N -2.37 -0.58 1.18 3.49 2.46 -1.22 -1.08 115.29 117.16 1juf s HIS 1031Ca 0.29 1.23 -0.15 0.00 0.47 0.00 0.00 55.06 56.90 1juf s HIS 1031Cb -0.06 0.38 0.28 0.00 -0.13 0.00 0.00 32.58 33.05 1juf s HIS 1031CO 0.15 -0.29 1.04 -1.25 -2.47 0.00 0.00 174.74 171.92 1juf s PRO 1032N 1.02 -1.00 0.40 2.88 0.04 -1.26 -1.87 135.00 135.22 1juf s PRO 1032Ca -0.05 0.46 0.29 0.00 0.04 0.00 0.00 61.00 61.73 1juf s PRO 1032Cb -0.04 -1.58 1.20 0.00 0.04 0.00 0.00 34.50 34.12 1juf s PRO 1032CO -0.13 -3.68 1.85 -1.00 0.04 0.00 0.00 177.00 174.09 1juf h PRO 1033N -2.57 0.00 -6.54 0.56 0.13 -1.99 -3.44 132.00 118.15 1juf h PRO 1033Ca -0.55 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.05 1juf h PRO 1033Cb 1.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 1juf h PRO 1033CO 0.47 0.00 0.63 -1.58 -0.23 0.00 0.00 178.00 177.29 1juf s HIS 1034N -3.50 3.35 0.01 1.56 2.46 -1.26 -4.99 115.29 112.91 1juf s HIS 1034Ca 0.02 1.18 -0.22 0.00 0.47 0.00 0.00 55.06 56.51 1juf s HIS 1034Cb 0.09 -3.53 0.05 0.00 -0.13 0.00 0.00 32.58 29.05 1juf s HIS 1034CO 0.46 -1.74 0.50 -1.50 -2.47 0.00 0.00 174.74 169.99 1juf s ILE 1035N 0.88 0.03 -0.14 0.89 2.07 -1.26 -4.71 121.20 118.96 1juf s ILE 1035Ca 0.60 -0.26 0.02 0.00 -1.41 0.00 0.00 60.65 59.60 1juf s ILE 1035Cb -0.33 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.36 1juf s ILE 1035CO 0.31 -0.15 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.30 1juf s GLU 1036N -1.90 3.09 -0.11 3.50 2.12 -0.66 -5.02 118.70 119.72 1juf s GLU 1036Ca -0.08 -0.82 -0.00 0.00 0.36 0.00 0.00 54.97 54.42 1juf s GLU 1036Cb -0.01 -2.48 0.02 0.00 0.26 0.00 0.00 34.13 31.92 1juf s GLU 1036CO 0.02 0.03 -0.08 0.42 -0.54 0.00 0.00 175.26 175.11 1juf s ILE 1037N 0.74 1.08 0.13 -3.70 1.01 -1.26 -0.67 121.20 118.53 1juf s ILE 1037Ca -0.08 -0.33 0.11 0.00 0.00 0.00 0.00 60.65 60.35 1juf s ILE 1037Cb -0.16 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1juf s ILE 1037CO 0.00 0.38 -0.26 -1.10 0.00 0.00 0.00 174.94 173.96 1juf s GLN 1038N 1.64 1.38 -0.09 2.79 -0.21 0.76 -4.96 119.66 120.97 1juf s GLN 1038Ca 0.04 -1.33 0.01 0.00 0.02 0.00 0.00 55.36 54.10 1juf s GLN 1038Cb -0.13 -1.85 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 1juf s GLN 1038CO -0.08 0.44 -0.11 -1.64 -2.12 0.00 0.00 175.29 171.78 1juf s MET 1039N -2.05 2.96 -0.01 2.91 -1.94 -1.26 0.40 119.30 120.31 1juf s MET 1039Ca 0.13 -0.63 0.07 0.00 -1.71 0.00 0.00 55.69 53.55 1juf s MET 1039Cb -0.10 -2.57 -0.02 0.00 2.01 0.00 0.00 34.83 34.15 1juf s MET 1039CO 0.06 0.47 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.80 1juf s LEU 1040N -0.31 2.06 -0.22 -0.03 1.43 0.33 -0.60 118.68 121.35 1juf s LEU 1040Ca 0.03 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1juf s LEU 1040Cb -0.13 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 44.94 1juf s LEU 1040CO 0.03 0.28 -0.15 -0.75 0.23 0.00 0.00 176.35 175.98 1juf s LYS 1041N -0.62 2.53 -1.50 1.70 2.20 0.23 -1.29 119.74 123.00 1juf s LYS 1041Ca 0.09 -1.05 -0.13 0.00 -0.36 0.00 0.00 55.97 54.52 1juf s LYS 1041Cb -0.09 -2.68 0.07 0.00 -1.51 0.00 0.00 37.83 33.62 1juf s LYS 1041CO -0.01 -0.39 1.02 0.09 -0.36 0.00 0.00 175.35 175.71 1juf n ASN 1042N 4.55 -5.18 0.00 1.43 3.02 -0.14 -1.55 115.26 117.38 1juf n ASN 1042Ca -0.17 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1juf n ASN 1042Cb 0.46 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 1juf n ASN 1042CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1juf n GLY 1043N -1.76 2.01 3.78 7.41 0.00 -1.26 -5.02 105.19 110.35 1juf n GLY 1043Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1juf n GLY 1043CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1juf s LYS 1044N -0.36 3.73 0.25 1.61 2.20 -0.60 -5.02 119.74 121.55 1juf s LYS 1044Ca 0.00 -0.21 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 1juf s LYS 1044Cb 0.00 -3.24 -0.12 0.00 -1.51 0.00 0.00 37.83 32.96 1juf s LYS 1044CO 0.00 0.54 1.62 1.63 -0.36 0.00 0.00 175.35 178.78 1juf n LYS 1045N 2.73 2.61 -3.09 4.03 5.02 -1.26 -0.60 118.16 127.61 1juf n LYS 1045Ca -0.18 0.93 -0.40 0.00 -2.02 0.00 0.00 58.31 56.64 1juf n LYS 1045Cb 0.53 -2.72 -0.06 0.00 -0.02 0.00 0.00 35.03 32.77 1juf n LYS 1045CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1juf s ILE 1046N 0.46 5.00 0.10 -0.18 1.01 0.23 -4.84 121.20 122.98 1juf s ILE 1046Ca 0.69 1.25 -0.26 0.00 0.00 0.00 0.00 60.65 62.34 1juf s ILE 1046Cb -0.53 -3.97 -0.13 0.00 0.01 0.00 0.00 42.46 37.84 1juf s ILE 1046CO 0.42 0.10 1.68 -0.65 0.00 0.00 0.00 174.94 176.50 1juf h PRO 1047N 7.43 -0.32 -4.38 2.79 0.11 -1.92 -3.39 132.00 132.31 1juf h PRO 1047Ca -0.31 0.02 -0.74 0.00 0.11 0.00 0.00 66.00 65.07 1juf h PRO 1047Cb 1.14 0.07 -0.22 0.00 0.11 0.00 0.00 31.00 32.11 1juf h PRO 1047CO 0.78 -0.21 0.55 0.15 -0.21 0.00 0.00 178.00 179.06 1juf s LYS 1048N -6.13 3.71 -0.15 1.05 1.02 -1.26 -5.00 119.74 112.97 1juf s LYS 1048Ca -0.15 -2.26 0.02 0.00 0.02 0.00 0.00 55.97 53.60 1juf s LYS 1048Cb 0.06 -4.70 0.01 0.00 -0.52 0.00 0.00 37.83 32.68 1juf s LYS 1048CO 0.65 -1.53 -0.20 0.08 -0.92 0.00 0.00 175.35 173.43 1juf s VAL 1049N 1.20 2.15 0.21 3.17 1.01 -1.26 -4.53 120.40 122.35 1juf s VAL 1049Ca 0.28 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1juf s VAL 1049Cb -0.07 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 1juf s VAL 1049CO -0.08 0.54 0.62 -1.61 0.00 0.00 0.00 175.10 174.57 1juf s GLU 1050N 0.94 4.01 -0.07 2.72 0.41 0.40 -4.89 118.70 122.21 1juf s GLU 1050Ca -0.04 0.56 0.04 0.00 -0.41 0.00 0.00 54.97 55.12 1juf s GLU 1050Cb -0.15 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 1juf s GLU 1050CO -0.04 0.37 -0.19 -1.64 -0.49 0.00 0.00 175.26 173.26 1juf s MET 1051N -2.33 2.34 1.07 1.61 -1.94 -1.26 -0.82 119.30 117.98 1juf s MET 1051Ca 0.44 -0.68 -0.14 0.00 -1.71 0.00 0.00 55.69 53.60 1juf s MET 1051Cb -0.14 -1.86 0.23 0.00 2.01 0.00 0.00 34.83 35.07 1juf s MET 1051CO 0.20 0.16 1.08 -1.54 -0.01 0.00 0.00 175.02 174.90 1juf s SER 1052N 0.35 1.94 0.59 3.03 1.04 -0.13 -4.99 113.70 115.53 1juf s SER 1052Ca -0.14 1.13 -0.13 0.00 0.48 0.00 0.00 55.95 57.30 1juf s SER 1052Cb -0.16 -1.76 -0.05 0.00 0.10 0.00 0.00 66.02 64.16 1juf s SER 1052CO 0.06 -3.55 1.02 -1.81 0.98 0.00 0.00 173.24 169.93 1juf s ASP 1053N -3.36 6.25 0.08 7.02 -0.00 -1.26 -4.76 116.67 120.64 1juf s ASP 1053Ca 0.67 1.50 -0.33 0.00 -0.00 0.00 0.00 52.55 54.39 1juf s ASP 1053Cb -0.18 -2.49 -0.12 0.00 -0.00 0.00 0.00 42.92 40.13 1juf s ASP 1053CO 0.59 -0.85 1.75 0.80 -0.00 0.00 0.00 175.17 177.45 1juf n MET 1054N -2.41 2.36 -4.00 8.23 0.00 -1.26 -4.91 117.12 115.14 1juf n MET 1054Ca 0.06 0.86 -0.09 0.00 -0.00 0.00 0.00 57.70 58.54 1juf n MET 1054Cb 0.54 -2.69 -0.11 0.00 0.00 0.00 0.00 33.22 30.96 1juf n MET 1054CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1juf s SER 1055N 2.38 0.29 0.08 6.12 0.01 -1.25 -5.08 113.70 116.25 1juf s SER 1055Ca 0.84 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 57.52 1juf s SER 1055Cb -0.62 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 1juf s SER 1055CO 0.42 -0.35 -0.06 0.72 0.41 0.00 0.00 173.24 174.37 1juf s PHE 1056N -1.89 0.80 0.45 2.43 -0.12 -1.26 -2.04 117.98 116.35 1juf s PHE 1056Ca -0.12 -0.83 0.08 0.00 -0.05 0.00 0.00 56.93 56.01 1juf s PHE 1056Cb -0.07 -0.47 0.02 0.00 -0.63 0.00 0.00 43.02 41.87 1juf s PHE 1056CO -0.03 -0.16 0.62 -1.12 -0.05 0.00 0.00 175.22 174.48 1juf s SER 1057N -2.69 5.54 0.58 1.98 0.01 0.41 -4.96 113.70 114.58 1juf s SER 1057Ca 0.06 -0.49 0.29 0.00 1.31 0.00 0.00 55.95 57.13 1juf s SER 1057Cb 0.02 -0.49 1.59 0.00 0.21 0.00 0.00 66.02 67.35 1juf s SER 1057CO -0.04 -0.88 1.88 0.11 0.41 0.00 0.00 173.24 174.72 1juf h LYS 1058N 0.54 0.00 -0.63 12.44 1.79 -2.02 0.47 116.57 129.15 1juf h LYS 1058Ca -0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1juf h LYS 1058Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1juf h LYS 1058CO 0.44 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.41 1juf n ASP 1059N -2.72 3.98 0.00 0.86 5.75 -1.26 -4.93 116.55 118.23 1juf n ASP 1059Ca -0.02 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1juf n ASP 1059Cb 0.28 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1juf n ASP 1059CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1juf n TRP 1060N 0.96 0.00 -2.31 2.11 7.02 0.16 -5.02 117.44 120.37 1juf n TRP 1060Ca 0.22 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.36 1juf n TRP 1060Cb 0.74 -0.11 -0.01 0.00 -2.42 0.00 0.00 31.31 29.50 1juf n TRP 1060CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1juf s SER 1061N -2.88 5.99 0.36 -0.99 1.04 -1.25 -4.62 113.70 111.34 1juf s SER 1061Ca 0.00 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1juf s SER 1061Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1juf s SER 1061CO 0.00 -1.03 0.56 -0.36 0.98 0.00 0.00 173.24 173.39 1juf s PHE 1062N -2.07 3.48 -0.00 5.02 0.08 -0.24 -0.44 117.98 123.81 1juf s PHE 1062Ca 0.68 0.34 -0.15 0.00 0.12 0.00 0.00 56.93 57.92 1juf s PHE 1062Cb -0.18 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1juf s PHE 1062CO 0.27 0.09 0.32 1.52 -0.10 0.00 0.00 175.22 177.32 1juf s TYR 1063N -2.34 -0.18 0.01 0.36 -0.85 -0.86 -2.16 117.35 111.33 1juf s TYR 1063Ca 0.41 0.22 -0.17 0.00 -0.52 0.00 0.00 57.07 57.01 1juf s TYR 1063Cb -0.10 0.11 0.03 0.00 0.38 0.00 0.00 41.96 42.38 1juf s TYR 1063CO 0.36 -0.42 0.37 -1.50 -1.52 0.00 0.00 175.55 172.84 1juf s ILE 1064N -1.61 0.06 -0.22 -3.49 2.07 0.57 -3.82 121.20 114.75 1juf s ILE 1064Ca -0.11 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 58.65 1juf s ILE 1064Cb -0.04 -0.81 0.02 0.00 0.13 0.00 0.00 42.46 41.76 1juf s ILE 1064CO 0.03 -0.26 -0.11 -0.22 -1.91 0.00 0.00 174.94 172.47 1juf s LEU 1065N -1.65 2.76 -0.07 8.50 2.96 -1.26 -1.34 118.68 128.58 1juf s LEU 1065Ca -0.09 -0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 53.07 1juf s LEU 1065Cb -0.03 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1juf s LEU 1065CO 0.01 -0.06 0.12 0.00 -1.32 0.00 0.00 176.35 175.11 1juf s ALA 1066N 1.34 3.77 0.09 5.97 0.00 0.06 -0.95 121.76 132.04 1juf s ALA 1066Ca 0.03 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 1juf s ALA 1066Cb -0.15 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.17 1juf s ALA 1066CO -0.07 0.65 0.36 -3.38 0.00 0.00 0.00 175.76 173.33 1juf s HIS 1067N -1.10 -0.16 0.01 0.00 -3.43 0.00 -0.42 115.29 110.19 1juf s HIS 1067Ca 0.19 -0.09 -0.21 0.00 -0.80 0.00 0.00 55.06 54.15 1juf s HIS 1067Cb -0.12 0.19 0.04 0.00 -1.43 0.00 0.00 32.58 31.26 1juf s HIS 1067CO 0.08 -0.63 0.46 -0.08 -2.00 0.00 0.00 174.74 172.57 1juf s THR 1068N -3.36 0.04 0.37 -5.38 -1.32 -0.47 -0.45 115.64 105.07 1juf s THR 1068Ca 0.00 -0.33 -0.26 0.00 -1.21 0.00 0.00 61.69 59.89 1juf s THR 1068Cb 0.01 -0.87 -0.09 0.00 -1.51 0.00 0.00 72.50 70.04 1juf s THR 1068CO -0.09 -0.18 1.18 -1.61 -2.21 0.00 0.00 174.62 171.71 1juf s GLU 1069N -1.88 4.21 0.06 7.08 2.02 -1.26 -0.61 118.70 128.31 1juf s GLU 1069Ca -0.09 1.88 -0.26 0.00 0.02 0.00 0.00 54.97 56.52 1juf s GLU 1069Cb -0.02 -2.82 0.08 0.00 0.10 0.00 0.00 34.13 31.47 1juf s GLU 1069CO 0.02 -0.20 0.71 -0.59 0.02 0.00 0.00 175.26 175.22 1juf s PHE 1070N -1.33 -0.51 -0.29 1.61 -0.71 -0.82 -4.82 117.98 111.11 1juf s PHE 1070Ca 0.54 0.48 0.02 0.00 -1.04 0.00 0.00 56.93 56.93 1juf s PHE 1070Cb -0.32 0.52 0.08 0.00 -1.21 0.00 0.00 43.02 42.09 1juf s PHE 1070CO 0.41 -0.70 -0.00 0.99 -1.34 0.00 0.00 175.22 174.58 1juf s THR 1071N -2.91 1.84 0.37 -4.49 2.01 -1.26 -0.00 115.64 111.19 1juf s THR 1071Ca -0.01 -1.75 -0.28 0.00 0.31 0.00 0.00 61.69 59.97 1juf s THR 1071Cb -0.01 -2.20 -0.10 0.00 0.01 0.00 0.00 72.50 70.20 1juf s THR 1071CO -0.06 -0.36 1.42 -2.16 -0.69 0.00 0.00 174.62 172.77 1juf s PRO 1072N 1.19 4.12 0.40 4.92 0.04 -1.26 -4.75 135.00 139.65 1juf s PRO 1072Ca 0.02 2.43 0.04 0.00 0.04 0.00 0.00 61.00 63.54 1juf s PRO 1072Cb -0.19 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 1juf s PRO 1072CO -0.09 -0.47 0.16 0.95 0.04 0.00 0.00 177.00 177.59 1juf s THR 1073N -1.14 0.46 0.16 1.26 -4.23 -1.26 -0.90 115.64 109.99 1juf s THR 1073Ca 0.53 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.96 1juf s THR 1073Cb -0.44 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1juf s THR 1073CO 0.59 0.00 1.48 -0.08 -0.54 0.00 0.00 174.62 176.06 1juf h GLU 1074N 1.84 0.79 0.00 3.99 4.81 -1.97 -3.39 114.58 120.65 1juf h GLU 1074Ca -0.33 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 58.33 1juf h GLU 1074Cb 1.27 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1juf h GLU 1074CO 0.52 1.09 -1.90 0.25 -0.73 0.00 0.00 179.01 178.24 1juf n THR 1075N -4.02 0.42 -2.28 0.32 -2.24 -1.26 -4.99 114.28 100.23 1juf n THR 1075Ca -0.03 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.89 1juf n THR 1075Cb 0.58 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1juf n THR 1075CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1juf s ASP 1076N -4.35 6.01 0.05 3.42 1.01 -1.26 -5.04 116.67 116.51 1juf s ASP 1076Ca -0.07 2.22 0.07 0.00 0.71 0.00 0.00 52.55 55.49 1juf s ASP 1076Cb 0.09 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1juf s ASP 1076CO 0.69 -1.02 -0.19 0.42 0.21 0.00 0.00 175.17 175.28 1juf s THR 1077N -1.66 2.73 0.04 -1.27 -4.23 -1.26 -4.75 115.64 105.24 1juf s THR 1077Ca 0.67 -1.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.01 1juf s THR 1077Cb -0.26 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 1juf s THR 1077CO 0.30 0.32 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.23 1juf s TYR 1078N -0.93 1.41 0.22 3.99 2.02 -1.26 -0.97 117.35 121.83 1juf s TYR 1078Ca 0.15 -0.36 -0.14 0.00 -0.37 0.00 0.00 57.07 56.35 1juf s TYR 1078Cb -0.10 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1juf s TYR 1078CO 0.05 0.06 0.47 0.00 -1.57 0.00 0.00 175.55 174.56 1juf s ALA 1079N -0.84 -0.44 -0.06 3.71 0.00 -0.41 -0.36 121.76 123.36 1juf s ALA 1079Ca 0.03 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.37 1juf s ALA 1079Cb -0.08 0.96 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 1juf s ALA 1079CO 0.01 -0.81 -0.19 0.00 0.00 0.00 0.00 175.76 174.77 1juf s ARG 1081N 0.18 3.10 -0.10 0.00 3.52 0.16 -0.57 118.95 125.25 1juf s ARG 1081Ca -0.09 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.75 1juf s ARG 1081Cb -0.14 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1juf s ARG 1081CO 0.04 -0.09 -0.20 0.08 -0.81 0.00 0.00 175.30 174.32 1juf s VAL 1082N 1.05 2.40 -0.10 7.11 1.01 0.43 -0.17 120.40 132.14 1juf s VAL 1082Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1juf s VAL 1082Cb -0.14 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1juf s VAL 1082CO -0.05 0.55 -0.12 -0.75 0.00 0.00 0.00 175.10 174.72 1juf s LYS 1083N 0.27 1.90 0.03 2.72 2.47 0.16 -0.36 119.74 126.92 1juf s LYS 1083Ca -0.14 -0.44 0.00 0.00 -1.56 0.00 0.00 55.97 53.83 1juf s LYS 1083Cb -0.17 -1.68 -0.02 0.00 -1.46 0.00 0.00 37.83 34.50 1juf s LYS 1083CO 0.07 -0.10 -0.04 -1.58 0.16 0.00 0.00 175.35 173.87 1juf s HIS 1084N 1.11 0.35 0.28 4.03 5.65 -1.26 -1.66 115.29 123.79 1juf s HIS 1084Ca -0.05 -0.62 0.34 0.00 0.25 0.00 0.00 55.06 54.98 1juf s HIS 1084Cb -0.14 -0.25 1.88 0.00 -1.18 0.00 0.00 32.58 32.88 1juf s HIS 1084CO -0.02 -0.21 2.06 -0.44 -0.65 0.00 0.00 174.74 175.47 1juf h ASP 1085N 4.37 0.00 0.24 9.88 3.32 -1.94 -0.28 116.42 132.01 1juf h ASP 1085Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1juf h ASP 1085Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1juf h ASP 1085CO 0.45 0.00 -0.05 -1.54 -1.72 0.00 0.00 179.24 176.38 1juf n SER 1086N -2.71 0.41 -4.27 6.45 3.41 -1.26 -4.76 113.62 110.89 1juf n SER 1086Ca -0.02 -0.75 -0.32 0.00 -0.26 0.00 0.00 58.87 57.52 1juf n SER 1086Cb 0.06 -0.07 -0.16 0.00 -0.26 0.00 0.00 64.21 63.77 1juf n SER 1086CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1juf s MET 1087N -2.30 3.10 0.22 4.33 -1.94 -0.12 -4.80 119.30 117.79 1juf s MET 1087Ca 0.35 -0.82 -0.06 0.00 -1.71 0.00 0.00 55.69 53.45 1juf s MET 1087Cb 0.21 -2.38 0.19 0.00 2.01 0.00 0.00 34.83 34.86 1juf s MET 1087CO 0.43 0.21 1.73 0.00 -0.01 0.00 0.00 175.02 177.38 1juf h ALA 1088N 6.64 1.00 -3.48 3.03 0.00 -1.85 -3.44 119.26 121.15 1juf h ALA 1088Ca -0.22 -0.26 -0.46 0.00 0.00 0.00 0.00 54.91 53.96 1juf h ALA 1088Cb 1.23 -0.24 -0.21 0.00 0.00 0.00 0.00 17.79 18.56 1juf h ALA 1088CO 0.49 0.64 -0.79 -1.21 0.00 0.00 0.00 179.25 178.38 1juf s GLU 1089N -5.17 0.94 0.57 0.00 2.02 -1.26 -5.10 118.70 110.70 1juf s GLU 1089Ca -0.11 -1.04 -0.21 0.00 0.02 0.00 0.00 54.97 53.63 1juf s GLU 1089Cb 0.15 -1.03 -0.04 0.00 0.10 0.00 0.00 34.13 33.31 1juf s GLU 1089CO 0.84 0.23 1.35 -2.14 0.02 0.00 0.00 175.26 175.56 1juf s PRO 1090N -1.85 2.98 -0.13 0.39 0.02 -1.26 -4.89 135.00 130.26 1juf s PRO 1090Ca 0.02 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 1juf s PRO 1090Cb -0.10 -2.15 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 1juf s PRO 1090CO 0.03 -1.30 -0.09 0.21 -0.33 0.00 0.00 177.00 175.52 1juf s LYS 1091N -3.03 3.43 -0.19 5.54 2.20 0.52 -4.91 119.74 123.30 1juf s LYS 1091Ca 0.74 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.73 1juf s LYS 1091Cb -0.40 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 1juf s LYS 1091CO 0.46 0.28 -0.08 0.99 -0.36 0.00 0.00 175.35 176.64 1juf s THR 1092N 0.22 3.17 -0.17 3.43 2.01 -1.26 -0.43 115.64 122.61 1juf s THR 1092Ca -0.05 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 1juf s THR 1092Cb -0.15 -2.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.95 1juf s THR 1092CO 0.04 0.46 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.62 1juf s VAL 1093N 1.18 2.89 0.27 3.82 1.01 0.27 -4.93 120.40 124.91 1juf s VAL 1093Ca 0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1juf s VAL 1093Cb -0.14 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 1juf s VAL 1093CO -0.02 0.49 0.72 -0.31 0.00 0.00 0.00 175.10 175.98 1juf s TYR 1094N 0.96 3.50 0.11 5.22 1.51 -1.26 0.10 117.35 127.48 1juf s TYR 1094Ca -0.02 1.28 -0.30 0.00 -1.01 0.00 0.00 57.07 57.01 1juf s TYR 1094Cb -0.15 -2.56 -0.06 0.00 -0.11 0.00 0.00 41.96 39.08 1juf s TYR 1094CO -0.01 0.21 1.10 -0.46 -1.11 0.00 0.00 175.55 175.29 1juf s TRP 1095N -1.76 3.57 -0.17 2.71 -0.00 0.51 -4.87 118.94 118.94 1juf s TRP 1095Ca 0.49 1.53 0.01 0.00 -0.00 0.00 0.00 56.10 58.12 1juf s TRP 1095Cb -0.13 -3.28 0.01 0.00 -0.00 0.00 0.00 33.47 30.06 1juf s TRP 1095CO 0.19 -0.68 -0.18 0.34 -0.00 0.00 0.00 176.95 176.62 1juf s ASP 1096N 0.45 3.39 0.42 5.86 3.68 -1.26 -4.75 116.67 124.46 1juf s ASP 1096Ca 0.53 -0.56 0.29 0.00 2.13 0.00 0.00 52.55 54.94 1juf s ASP 1096Cb -0.28 -1.52 1.39 0.00 -1.45 0.00 0.00 42.92 41.06 1juf s ASP 1096CO 0.32 0.05 1.89 0.08 0.13 0.00 0.00 175.17 177.63 1juf h ARG 1097N 7.59 0.00 -0.06 4.34 0.11 -1.96 -2.10 114.38 122.31 1juf h ARG 1097Ca -0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1juf h ARG 1097Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1juf h ARG 1097CO 0.59 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.41 1juf n ASP 1098N -2.60 1.62 0.00 0.08 8.00 -1.26 -4.87 116.55 117.52 1juf n ASP 1098Ca -0.00 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.93 1juf n ASP 1098Cb 0.17 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1juf n ASP 1098CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04