#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pc0 s GLN 1002N 0.00 3.56 -0.22 0.54 0.74 -1.26 -5.10 119.66 117.92 2pc0 s GLN 1002Ca 0.00 -0.55 -0.01 0.00 0.05 0.00 0.00 55.36 54.85 2pc0 s GLN 1002Cb 0.00 -3.05 0.02 0.00 1.10 0.00 0.00 33.01 31.08 2pc0 s GLN 1002CO 0.00 -0.02 -0.12 0.42 -0.55 0.00 0.00 175.29 175.02 2pc0 s ILE 1003N 1.08 2.59 0.78 -2.34 1.01 -1.26 -5.11 121.20 117.95 2pc0 s ILE 1003Ca 0.02 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 2pc0 s ILE 1003Cb -0.14 -2.22 0.07 0.00 0.01 0.00 0.00 42.46 40.18 2pc0 s ILE 1003CO 0.01 0.37 1.14 0.42 0.00 0.00 0.00 174.94 176.88 2pc0 s THR 1004N 1.33 2.08 -0.13 2.92 -4.23 -1.26 -5.03 115.64 111.32 2pc0 s THR 1004Ca 0.03 -0.06 0.17 0.00 -1.18 0.00 0.00 61.69 60.65 2pc0 s THR 1004Cb -0.15 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.98 2pc0 s THR 1004CO -0.08 -0.01 1.15 0.18 -0.54 0.00 0.00 174.62 175.33 2pc0 n LEU 1005N -3.22 2.25 -0.22 4.79 4.77 -1.26 -4.58 117.00 119.53 2pc0 n LEU 1005Ca 0.08 -3.07 -0.00 0.00 -0.03 0.00 0.00 56.01 52.99 2pc0 n LEU 1005Cb 0.61 -0.41 0.23 0.00 -2.33 0.00 0.00 43.42 41.51 2pc0 n LEU 1005CO 0.56 0.77 1.21 -0.50 -1.33 0.00 0.00 177.39 178.10 2pc0 h TRP 1006N 0.14 0.97 -1.65 -1.77 4.06 -2.06 -3.43 115.95 112.20 2pc0 h TRP 1006Ca -0.00 0.01 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 2pc0 h TRP 1006Cb 1.03 -0.32 -0.06 0.00 -1.00 0.00 0.00 29.16 28.81 2pc0 h TRP 1006CO 0.11 0.63 -0.47 0.15 -3.56 0.00 0.00 178.44 175.30 2pc0 s LYS 1007N -5.80 2.38 0.20 0.49 -0.14 -1.26 -5.09 119.74 110.52 2pc0 s LYS 1007Ca -0.11 -1.66 -0.31 0.00 -1.36 0.00 0.00 55.97 52.54 2pc0 s LYS 1007Cb 0.17 -2.17 -0.10 0.00 -1.68 0.00 0.00 37.83 34.06 2pc0 s LYS 1007CO 0.79 -0.08 1.48 1.03 -0.76 0.00 0.00 175.35 177.81 2pc0 s ARG 1008N -3.97 4.26 -1.18 1.68 0.52 -1.26 -4.89 118.95 114.12 2pc0 s ARG 1008Ca 0.42 2.29 -0.17 0.00 -0.52 0.00 0.00 55.73 57.75 2pc0 s ARG 1008Cb -0.00 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 2pc0 s ARG 1008CO 0.24 -0.49 2.11 -0.35 0.02 0.00 0.00 175.30 176.83 2pc0 n PRO 1009N 3.11 2.30 -3.04 3.54 -0.04 -1.26 -4.92 135.00 134.68 2pc0 n PRO 1009Ca 0.10 -2.29 -0.40 0.00 -0.04 0.00 0.00 63.50 60.87 2pc0 n PRO 1009Cb 0.40 -3.14 -0.05 0.00 -0.04 0.00 0.00 33.50 30.67 2pc0 n PRO 1009CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pc0 s LEU 1010N 1.77 4.42 0.16 1.53 1.43 -1.26 -1.07 118.68 125.66 2pc0 s LEU 1010Ca 0.51 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 2pc0 s LEU 1010Cb 0.14 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 2pc0 s LEU 1010CO -0.00 0.01 -0.06 0.68 0.23 0.00 0.00 176.35 177.21 2pc0 s VAL 1011N 0.07 0.97 0.06 -1.59 -7.23 0.19 -4.95 120.40 107.93 2pc0 s VAL 1011Ca 0.37 -2.02 -0.26 0.00 -1.81 0.00 0.00 61.98 58.25 2pc0 s VAL 1011Cb -0.19 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 2pc0 s VAL 1011CO 0.21 -0.64 0.82 -0.89 -0.31 0.00 0.00 175.10 174.29 2pc0 s THR 1012N -3.46 4.68 0.14 5.32 2.01 -1.26 -1.15 115.64 121.92 2pc0 s THR 1012Ca 0.19 1.75 0.11 0.00 0.31 0.00 0.00 61.69 64.05 2pc0 s THR 1012Cb 0.04 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2pc0 s THR 1012CO 0.02 0.35 -0.25 0.27 -0.69 0.00 0.00 174.62 174.31 2pc0 s ILE 1013N -0.01 2.19 -0.18 1.82 -4.36 0.60 -1.83 121.20 119.43 2pc0 s ILE 1013Ca 0.41 -1.78 -0.03 0.00 -0.26 0.00 0.00 60.65 58.99 2pc0 s ILE 1013Cb -0.21 -1.95 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 2pc0 s ILE 1013CO 0.25 0.03 -0.06 -0.54 0.24 0.00 0.00 174.94 174.86 2pc0 s LYS 1014N -2.15 3.49 -0.24 0.37 1.02 -0.13 -1.16 119.74 120.94 2pc0 s LYS 1014Ca 0.14 -0.60 -0.22 0.00 0.02 0.00 0.00 55.97 55.31 2pc0 s LYS 1014Cb -0.10 -2.91 0.06 0.00 -0.52 0.00 0.00 37.83 34.37 2pc0 s LYS 1014CO 0.06 0.05 0.65 -1.50 -0.92 0.00 0.00 175.35 173.69 2pc0 s ILE 1015N 0.85 -0.00 -1.56 2.17 2.07 -0.45 -1.34 121.20 122.94 2pc0 s ILE 1015Ca -0.01 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.22 2pc0 s ILE 1015Cb -0.15 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.55 2pc0 s ILE 1015CO 0.01 0.00 0.04 0.61 -1.91 0.00 0.00 174.94 173.69 2pc0 n GLY 1016N 2.73 -0.50 2.07 1.50 0.00 -1.26 -0.93 105.19 108.80 2pc0 n GLY 1016Ca -0.14 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 2pc0 n GLY 1016CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pc0 n GLY 1017N -0.99 0.47 3.37 -0.02 0.00 -1.26 -4.97 105.19 101.80 2pc0 n GLY 1017Ca -0.21 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 2pc0 n GLY 1017CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pc0 s GLN 1018N -0.61 1.41 -0.13 1.61 -0.21 -0.11 -5.14 119.66 116.47 2pc0 s GLN 1018Ca 0.00 -1.64 -0.04 0.00 0.02 0.00 0.00 55.36 53.70 2pc0 s GLN 1018Cb 0.00 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 32.74 2pc0 s GLN 1018CO 0.00 0.20 0.03 -0.51 -2.12 0.00 0.00 175.29 172.89 2pc0 s LEU 1019N -3.36 3.68 0.16 2.90 1.43 -1.26 -1.33 118.68 120.89 2pc0 s LEU 1019Ca 0.24 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2pc0 s LEU 1019Cb -0.01 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2pc0 s LEU 1019CO 0.09 0.28 0.08 -0.54 0.23 0.00 0.00 176.35 176.48 2pc0 s LYS 1020N -0.27 1.04 -0.10 1.70 1.02 -0.31 -4.99 119.74 117.83 2pc0 s LYS 1020Ca 0.07 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 54.52 2pc0 s LYS 1020Cb -0.12 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.38 2pc0 s LYS 1020CO 0.02 -0.30 -0.02 -1.21 -0.92 0.00 0.00 175.35 172.92 2pc0 s GLU 1021N -4.08 3.16 0.06 1.68 0.41 -1.26 -0.29 118.70 118.38 2pc0 s GLU 1021Ca 0.30 -0.45 -0.06 0.00 -0.41 0.00 0.00 54.97 54.34 2pc0 s GLU 1021Cb 0.07 -2.81 -0.01 0.00 -1.78 0.00 0.00 34.13 29.60 2pc0 s GLU 1021CO 0.06 0.56 0.12 0.00 -0.49 0.00 0.00 175.26 175.51 2pc0 s ALA 1022N -0.50 -0.04 -0.16 5.21 0.00 -0.30 -4.59 121.76 121.37 2pc0 s ALA 1022Ca 0.08 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 2pc0 s ALA 1022Cb -0.12 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 2pc0 s ALA 1022CO 0.02 -0.40 0.31 -1.17 0.00 0.00 0.00 175.76 174.52 2pc0 s LEU 1023N -2.54 4.23 -0.53 0.00 2.96 0.07 -0.63 118.68 122.24 2pc0 s LEU 1023Ca 0.01 0.52 -0.28 0.00 -0.22 0.00 0.00 54.13 54.16 2pc0 s LEU 1023Cb 0.03 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.33 2pc0 s LEU 1023CO -0.08 0.07 1.26 -0.76 -1.32 0.00 0.00 176.35 175.52 2pc0 s LEU 1024N 0.58 3.51 -0.43 -0.68 1.43 -0.24 -0.53 118.68 122.32 2pc0 s LEU 1024Ca 0.17 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 2pc0 s LEU 1024Cb -0.13 -3.30 0.12 0.00 0.03 0.00 0.00 46.19 42.90 2pc0 s LEU 1024CO 0.05 -1.46 0.17 -0.62 0.23 0.00 0.00 176.35 174.71 2pc0 s ASP 1025N 3.27 4.37 0.07 2.29 -1.08 -0.34 -4.77 116.67 120.47 2pc0 s ASP 1025Ca 0.49 -2.54 0.17 0.00 -0.52 0.00 0.00 52.55 50.15 2pc0 s ASP 1025Cb -0.09 -1.49 0.72 0.00 -1.46 0.00 0.00 42.92 40.60 2pc0 s ASP 1025CO 0.28 -0.31 1.54 0.35 0.52 0.00 0.00 175.17 177.55 2pc0 n THR 1026N 3.72 0.94 1.30 1.71 -2.24 -1.26 -2.09 114.28 116.36 2pc0 n THR 1026Ca 0.04 0.24 0.11 0.00 -2.27 0.00 0.00 64.05 62.17 2pc0 n THR 1026Cb 0.37 -1.03 0.41 0.00 -2.10 0.00 0.00 70.33 67.98 2pc0 n THR 1026CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pc0 n GLY 1027N 0.04 0.20 3.37 3.38 0.00 -1.26 -4.85 105.19 106.07 2pc0 n GLY 1027Ca 0.03 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2pc0 n GLY 1027CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pc0 s ALA 1028N -1.84 2.62 0.15 4.61 0.00 -0.89 -5.00 121.76 121.41 2pc0 s ALA 1028Ca 0.34 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 2pc0 s ALA 1028Cb 0.18 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 2pc0 s ALA 1028CO 0.28 0.25 1.47 -0.44 0.00 0.00 0.00 175.76 177.32 2pc0 h ASP 1029N 6.71 0.91 -2.67 0.00 3.32 -1.88 0.38 116.42 123.18 2pc0 h ASP 1029Ca -0.26 -0.44 -0.63 0.00 0.02 0.00 0.00 57.03 55.72 2pc0 h ASP 1029Cb 1.21 -0.26 -0.16 0.00 0.22 0.00 0.00 39.33 40.35 2pc0 h ASP 1029CO 0.56 1.22 -0.79 -1.81 -1.72 0.00 0.00 179.24 176.70 2pc0 s ASP 1030N -6.89 3.49 -0.14 6.45 1.01 -1.26 -2.48 116.67 116.86 2pc0 s ASP 1030Ca -0.10 -0.96 -0.19 0.00 0.71 0.00 0.00 52.55 52.01 2pc0 s ASP 1030Cb 0.11 -0.28 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 2pc0 s ASP 1030CO 0.87 0.07 0.54 -0.89 0.21 0.00 0.00 175.17 175.97 2pc0 s THR 1031N -2.15 5.13 -0.07 -1.27 2.01 -1.26 -3.54 115.64 114.48 2pc0 s THR 1031Ca 0.26 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.32 2pc0 s THR 1031Cb -0.06 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.60 2pc0 s THR 1031CO 0.13 0.26 -0.07 0.68 -0.69 0.00 0.00 174.62 174.92 2pc0 s VAL 1032N 1.02 0.83 0.11 3.82 -7.23 -0.41 -1.18 120.40 117.35 2pc0 s VAL 1032Ca 0.28 -0.24 0.06 0.00 -1.81 0.00 0.00 61.98 60.26 2pc0 s VAL 1032Cb -0.16 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 2pc0 s VAL 1032CO 0.11 0.31 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.31 2pc0 s LEU 1033N 1.21 2.38 0.95 1.32 1.43 0.19 -0.37 118.68 125.79 2pc0 s LEU 1033Ca -0.05 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.15 2pc0 s LEU 1033Cb -0.14 -0.52 0.10 0.00 0.03 0.00 0.00 46.19 45.65 2pc0 s LEU 1033CO -0.02 -0.14 0.75 -1.84 0.23 0.00 0.00 176.35 175.33 2pc0 n GLU 1034N 0.66 -0.46 -1.57 1.70 0.28 -1.26 -1.53 120.64 118.47 2pc0 n GLU 1034Ca -0.16 -0.08 -0.54 0.00 -0.16 0.00 0.00 57.16 56.22 2pc0 n GLU 1034Cb 0.57 -2.10 -0.06 0.00 1.43 0.00 0.00 31.44 31.27 2pc0 n GLU 1034CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2pc0 n GLU 1035N -2.97 0.90 -3.83 3.44 4.07 -1.25 -4.55 120.64 116.45 2pc0 n GLU 1035Ca 0.09 0.33 -0.07 0.00 -0.06 0.00 0.00 57.16 57.45 2pc0 n GLU 1035Cb 0.53 -1.94 -0.02 0.00 -0.06 0.00 0.00 31.44 29.95 2pc0 n GLU 1035CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2pc0 s MET 1036N 0.45 1.67 -0.23 5.31 0.23 -1.26 -5.04 119.30 120.43 2pc0 s MET 1036Ca 0.86 -0.92 -0.13 0.00 -1.03 0.00 0.00 55.69 54.47 2pc0 s MET 1036Cb -1.02 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 32.81 2pc0 s MET 1036CO 0.49 -0.77 0.28 -0.80 -2.03 0.00 0.00 175.02 172.20 2pc0 s ASN 1037N -2.92 6.26 0.11 -1.18 0.01 -1.26 -5.06 114.94 110.90 2pc0 s ASN 1037Ca 0.11 0.29 0.07 0.00 -0.71 0.00 0.00 52.86 52.62 2pc0 s ASN 1037Cb -0.05 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 2pc0 s ASN 1037CO 0.05 -0.02 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.70 2pc0 s LEU 1038N 1.29 2.35 0.55 0.60 1.43 -1.26 -4.83 118.68 118.80 2pc0 s LEU 1038Ca 0.13 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 2pc0 s LEU 1038Cb -0.14 -0.68 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 2pc0 s LEU 1038CO 0.07 -0.05 1.00 -2.16 0.23 0.00 0.00 176.35 175.44 2pc0 s PRO 1039N -2.22 3.78 0.00 1.29 0.04 -1.26 -4.98 135.00 131.65 2pc0 s PRO 1039Ca 0.06 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2pc0 s PRO 1039Cb -0.08 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2pc0 s PRO 1039CO 0.04 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.07 2pc0 n GLY 1040N -1.68 -3.19 3.72 0.56 0.00 -1.26 -4.89 105.19 98.44 2pc0 n GLY 1040Ca 0.07 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 2pc0 n GLY 1040CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pc0 s ARG 1041N -0.66 4.49 0.35 1.61 3.52 -1.26 -5.06 118.95 121.94 2pc0 s ARG 1041Ca 0.00 1.09 0.09 0.00 -0.13 0.00 0.00 55.73 56.78 2pc0 s ARG 1041Cb 0.00 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 2pc0 s ARG 1041CO 0.00 0.04 0.04 1.67 -0.81 0.00 0.00 175.30 176.24 2pc0 s TRP 1042N 0.80 2.57 0.02 5.12 1.48 -1.26 -4.53 118.94 123.14 2pc0 s TRP 1042Ca 0.43 -0.45 -0.00 0.00 -1.06 0.00 0.00 56.10 55.01 2pc0 s TRP 1042Cb -0.19 -1.56 -0.02 0.00 -1.16 0.00 0.00 33.47 30.54 2pc0 s TRP 1042CO 0.22 0.43 -0.02 -1.59 -4.06 0.00 0.00 176.95 171.93 2pc0 s LYS 1043N -3.75 0.32 0.52 3.25 -2.85 -1.04 -4.93 119.74 111.26 2pc0 s LYS 1043Ca 0.36 -0.61 -0.21 0.00 -1.00 0.00 0.00 55.97 54.51 2pc0 s LYS 1043Cb 0.00 0.12 -0.06 0.00 -2.06 0.00 0.00 37.83 35.83 2pc0 s LYS 1043CO 0.20 -0.05 1.16 -1.25 0.10 0.00 0.00 175.35 175.50 2pc0 s PRO 1044N -1.51 3.44 -0.01 1.78 0.04 -1.26 -0.46 135.00 137.03 2pc0 s PRO 1044Ca -0.15 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2pc0 s PRO 1044Cb -0.10 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2pc0 s PRO 1044CO -0.01 -0.80 -0.00 0.21 0.04 0.00 0.00 177.00 176.44 2pc0 s LYS 1045N -3.08 0.13 -0.23 4.56 2.20 0.10 -4.82 119.74 118.59 2pc0 s LYS 1045Ca 0.70 0.02 -0.16 0.00 -0.36 0.00 0.00 55.97 56.17 2pc0 s LYS 1045Cb -0.27 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 35.81 2pc0 s LYS 1045CO 0.31 -0.04 0.39 -1.64 -0.36 0.00 0.00 175.35 174.01 2pc0 s MET 1046N 0.37 4.11 0.37 4.03 -1.94 -1.26 -1.00 119.30 123.98 2pc0 s MET 1046Ca -0.03 0.14 0.08 0.00 -1.71 0.00 0.00 55.69 54.17 2pc0 s MET 1046Cb -0.05 -3.58 -0.07 0.00 2.01 0.00 0.00 34.83 33.13 2pc0 s MET 1046CO -0.01 -0.13 -0.03 0.96 -0.01 0.00 0.00 175.02 175.79 2pc0 s ILE 1047N 1.62 2.01 0.00 2.53 -4.36 -0.04 -4.91 121.20 118.05 2pc0 s ILE 1047Ca 0.18 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 2pc0 s ILE 1047Cb -0.15 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.76 2pc0 s ILE 1047CO 0.08 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.77 2pc0 n GLY 1048N -0.85 1.11 0.00 6.27 0.00 -1.26 -0.97 105.19 109.49 2pc0 n GLY 1048Ca -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2pc0 n GLY 1048CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pc0 n GLY 1049N 0.00 1.12 3.49 -0.02 0.00 0.82 -4.97 105.19 105.63 2pc0 n GLY 1049Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2pc0 n GLY 1049CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pc0 s ILE 1050N -1.49 4.24 0.00 -0.61 1.01 -1.26 -3.15 121.20 119.94 2pc0 s ILE 1050Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.10 2pc0 s ILE 1050Cb 0.00 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.67 2pc0 s ILE 1050CO 0.00 -1.62 0.00 0.61 0.00 0.00 0.00 174.94 173.93 2pc0 n GLY 1051N 5.60 0.50 0.00 6.18 0.00 -1.26 -4.96 105.19 111.26 2pc0 n GLY 1051Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2pc0 n GLY 1051CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pc0 n GLY 1052N -2.00 1.67 3.48 -0.02 0.00 -1.19 -5.14 105.19 101.99 2pc0 n GLY 1052Ca 0.00 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.00 2pc0 n GLY 1052CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pc0 s PHE 1053N -1.51 2.39 -0.05 1.61 0.40 -1.26 -0.12 117.98 119.44 2pc0 s PHE 1053Ca 0.00 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 2pc0 s PHE 1053Cb 0.00 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.39 2pc0 s PHE 1053CO 0.00 0.57 -0.24 0.42 0.70 0.00 0.00 175.22 176.67 2pc0 s ILE 1054N -1.94 1.96 -0.04 0.64 -1.09 -0.14 -4.93 121.20 115.66 2pc0 s ILE 1054Ca 0.25 -1.03 -0.20 0.00 -2.23 0.00 0.00 60.65 57.45 2pc0 s ILE 1054Cb -0.07 -1.65 -0.05 0.00 -1.58 0.00 0.00 42.46 39.10 2pc0 s ILE 1054CO 0.13 0.55 0.56 -0.75 -1.23 0.00 0.00 174.94 174.19 2pc0 s LYS 1055N -0.23 4.29 0.24 2.79 2.20 -1.26 -0.86 119.74 126.91 2pc0 s LYS 1055Ca -0.01 0.64 0.01 0.00 -0.36 0.00 0.00 55.97 56.26 2pc0 s LYS 1055Cb -0.13 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 2pc0 s LYS 1055CO 0.02 0.33 0.08 0.14 -0.36 0.00 0.00 175.35 175.57 2pc0 s VAL 1056N -0.01 0.54 -0.20 4.02 -7.23 -0.17 -4.61 120.40 112.75 2pc0 s VAL 1056Ca 0.30 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.38 2pc0 s VAL 1056Cb -0.17 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2pc0 s VAL 1056CO 0.15 -0.07 0.09 -0.13 -0.31 0.00 0.00 175.10 174.83 2pc0 s ARG 1057N -4.03 4.03 -0.29 4.82 0.52 0.28 -0.72 118.95 123.56 2pc0 s ARG 1057Ca 0.36 -0.31 -0.15 0.00 -0.52 0.00 0.00 55.73 55.10 2pc0 s ARG 1057Cb 0.08 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 2pc0 s ARG 1057CO 0.12 0.23 0.40 -1.14 0.02 0.00 0.00 175.30 174.93 2pc0 s GLN 1058N 0.50 3.88 -0.15 3.54 0.74 0.40 -0.78 119.66 127.79 2pc0 s GLN 1058Ca 0.05 -0.06 -0.02 0.00 0.05 0.00 0.00 55.36 55.38 2pc0 s GLN 1058Cb -0.12 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.27 2pc0 s GLN 1058CO 0.00 -0.37 -0.09 0.71 -0.55 0.00 0.00 175.29 174.99 2pc0 s TYR 1059N 2.11 2.90 0.24 1.67 1.51 -0.51 -2.49 117.35 122.78 2pc0 s TYR 1059Ca 0.15 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 2pc0 s TYR 1059Cb -0.16 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2pc0 s TYR 1059CO 0.11 -0.20 0.40 -0.51 -1.11 0.00 0.00 175.55 174.24 2pc0 s ASP 1060N 0.50 6.33 -1.31 2.29 1.01 -1.26 -0.73 116.67 123.50 2pc0 s ASP 1060Ca -0.07 0.26 -0.04 0.00 0.71 0.00 0.00 52.55 53.42 2pc0 s ASP 1060Cb -0.15 -1.95 -0.00 0.00 1.01 0.00 0.00 42.92 41.83 2pc0 s ASP 1060CO 0.04 -0.10 0.61 0.00 0.21 0.00 0.00 175.17 175.93 2pc0 n GLN 1061N -1.18 -3.58 -3.70 8.23 6.02 -1.17 -4.90 117.38 117.10 2pc0 n GLN 1061Ca -0.07 0.52 -0.36 0.00 -0.01 0.00 0.00 57.00 57.08 2pc0 n GLN 1061Cb 0.56 -4.76 -0.07 0.00 1.02 0.00 0.00 30.24 26.98 2pc0 n GLN 1061CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pc0 s ILE 1062N -3.74 5.37 -0.05 5.09 -1.09 -0.23 -4.78 121.20 121.77 2pc0 s ILE 1062Ca 0.10 0.38 -0.26 0.00 -2.23 0.00 0.00 60.65 58.64 2pc0 s ILE 1062Cb -0.03 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2pc0 s ILE 1062CO 0.85 0.51 0.81 -0.22 -1.23 0.00 0.00 174.94 175.66 2pc0 s LEU 1063N -0.33 4.33 0.24 2.97 2.96 -1.26 -1.45 118.68 126.13 2pc0 s LEU 1063Ca 0.15 1.36 0.07 0.00 -0.22 0.00 0.00 54.13 55.49 2pc0 s LEU 1063Cb -0.13 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 2pc0 s LEU 1063CO 0.04 -0.19 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.14 2pc0 s ILE 1064N 0.98 1.73 -0.18 6.68 1.01 0.05 -4.50 121.20 126.96 2pc0 s ILE 1064Ca 0.43 -2.18 0.00 0.00 0.00 0.00 0.00 60.65 58.90 2pc0 s ILE 1064Cb -0.19 -2.25 0.04 0.00 0.01 0.00 0.00 42.46 40.07 2pc0 s ILE 1064CO 0.21 -0.44 -0.07 -0.70 0.00 0.00 0.00 174.94 173.94 2pc0 s GLU 1065N -3.68 1.68 -0.36 2.79 2.12 -0.45 -1.47 118.70 119.32 2pc0 s GLU 1065Ca 0.26 -0.67 -0.05 0.00 0.36 0.00 0.00 54.97 54.87 2pc0 s GLU 1065Cb 0.01 -2.21 0.06 0.00 0.26 0.00 0.00 34.13 32.26 2pc0 s GLU 1065CO 0.10 -0.44 0.13 0.42 -0.54 0.00 0.00 175.26 174.93 2pc0 s ILE 1066N 1.53 3.59 -1.51 -3.70 1.01 0.17 -0.95 121.20 121.33 2pc0 s ILE 1066Ca -0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.09 2pc0 s ILE 1066Cb -0.16 -3.16 0.07 0.00 0.01 0.00 0.00 42.46 39.23 2pc0 s ILE 1066CO -0.08 -0.34 0.87 0.00 0.00 0.00 0.00 174.94 175.40 2pc0 n GLY 1068N -1.66 0.71 3.40 0.00 0.00 -1.26 -4.93 105.19 101.46 2pc0 n GLY 1068Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2pc0 n GLY 1068CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pc0 s HIS 1069N -2.21 2.89 0.29 1.61 4.02 -0.67 -5.07 115.29 116.15 2pc0 s HIS 1069Ca 0.00 -0.56 -0.14 0.00 1.02 0.00 0.00 55.06 55.37 2pc0 s HIS 1069Cb 0.00 -1.90 -0.08 0.00 -1.02 0.00 0.00 32.58 29.57 2pc0 s HIS 1069CO 0.00 -0.19 0.69 0.15 1.02 0.00 0.00 174.74 176.41 2pc0 s LYS 1070N 0.46 3.99 0.08 1.40 1.02 -1.26 -0.65 119.74 124.77 2pc0 s LYS 1070Ca -0.07 0.60 -0.17 0.00 0.02 0.00 0.00 55.97 56.35 2pc0 s LYS 1070Cb -0.15 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2pc0 s LYS 1070CO 0.04 0.22 0.40 0.00 -0.92 0.00 0.00 175.35 175.10 2pc0 s ALA 1071N -1.88 -0.95 -0.05 5.17 0.00 -0.54 -4.77 121.76 118.73 2pc0 s ALA 1071Ca 0.51 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.64 2pc0 s ALA 1071Cb -0.11 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 2pc0 s ALA 1071CO 0.19 -0.55 -0.23 0.42 0.00 0.00 0.00 175.76 175.59 2pc0 s ILE 1072N -3.15 1.87 0.00 0.00 1.01 -1.26 -0.77 121.20 118.90 2pc0 s ILE 1072Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2pc0 s ILE 1072Cb 0.01 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.89 2pc0 s ILE 1072CO -0.07 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2pc0 n GLY 1073N 2.99 0.48 3.73 6.18 0.00 -0.53 -4.88 105.19 113.16 2pc0 n GLY 1073Ca -0.18 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 2pc0 n GLY 1073CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pc0 s THR 1074N -2.04 4.63 -0.11 2.61 2.01 -1.26 -1.07 115.64 120.41 2pc0 s THR 1074Ca 0.00 1.95 0.02 0.00 0.31 0.00 0.00 61.69 63.97 2pc0 s THR 1074Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2pc0 s THR 1074CO 0.00 0.30 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.38 2pc0 s VAL 1075N 0.19 1.57 -0.04 3.82 1.01 0.09 -4.53 120.40 122.51 2pc0 s VAL 1075Ca 0.46 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 2pc0 s VAL 1075Cb -0.22 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2pc0 s VAL 1075CO 0.28 0.45 0.39 -0.76 0.00 0.00 0.00 175.10 175.46 2pc0 s LEU 1076N 0.96 4.43 -0.10 3.92 1.43 -0.33 -1.43 118.68 127.56 2pc0 s LEU 1076Ca -0.07 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 2pc0 s LEU 1076Cb -0.15 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.53 2pc0 s LEU 1076CO -0.01 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 175.96 2pc0 s VAL 1077N -0.72 1.69 -2.83 -1.59 1.01 0.04 -0.63 120.40 117.35 2pc0 s VAL 1077Ca 0.23 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2pc0 s VAL 1077Cb -0.16 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2pc0 s VAL 1077CO 0.12 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2pc0 n GLY 1078N 3.83 -1.13 2.56 4.51 0.00 -0.58 -0.55 105.19 113.82 2pc0 n GLY 1078Ca -0.20 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 2pc0 n GLY 1078CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pc0 n PRO 1079N 0.00 3.32 -3.22 1.61 -0.04 -1.26 -3.97 135.00 131.44 2pc0 n PRO 1079Ca 0.00 -2.53 -0.38 0.00 -0.04 0.00 0.00 63.50 60.56 2pc0 n PRO 1079Cb 0.00 -3.04 -0.06 0.00 -0.04 0.00 0.00 33.50 30.36 2pc0 n PRO 1079CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2pc0 s THR 1080N 2.44 4.68 0.14 0.52 -1.32 -1.26 -4.98 115.64 115.85 2pc0 s THR 1080Ca 0.56 1.23 0.24 0.00 -1.21 0.00 0.00 61.69 62.51 2pc0 s THR 1080Cb 0.16 -3.90 0.23 0.00 -1.51 0.00 0.00 72.50 67.48 2pc0 s THR 1080CO -0.07 0.44 1.83 -0.65 -2.21 0.00 0.00 174.62 173.96 2pc0 h PRO 1081N 4.15 0.00 -3.98 7.08 0.11 -1.98 -3.44 132.00 133.94 2pc0 h PRO 1081Ca -0.49 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.36 2pc0 h PRO 1081Cb 1.21 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 2pc0 h PRO 1081CO 0.64 0.22 -0.73 0.54 -0.21 0.00 0.00 178.00 178.47 2pc0 s VAL 1082N -3.66 0.17 0.03 3.15 0.11 -1.26 -5.12 120.40 113.82 2pc0 s VAL 1082Ca 0.00 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.57 2pc0 s VAL 1082Cb 0.10 -0.17 -0.06 0.00 -1.53 0.00 0.00 36.38 34.72 2pc0 s VAL 1082CO 0.64 -0.00 1.38 0.20 -3.33 0.00 0.00 175.10 173.98 2pc0 s ASN 1083N -0.20 6.86 -0.14 3.54 0.01 -1.26 -4.84 114.94 118.92 2pc0 s ASN 1083Ca -0.01 2.15 0.02 0.00 -0.71 0.00 0.00 52.86 54.31 2pc0 s ASN 1083Cb -0.02 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.09 2pc0 s ASN 1083CO -0.00 -0.69 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.09 2pc0 s ILE 1084N 2.05 1.78 -0.45 0.60 -1.09 0.50 -0.75 121.20 123.85 2pc0 s ILE 1084Ca 0.64 -0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 58.07 2pc0 s ILE 1084Cb -0.32 -1.61 0.03 0.00 -1.58 0.00 0.00 42.46 38.98 2pc0 s ILE 1084CO 0.27 0.50 0.54 -0.63 -1.23 0.00 0.00 174.94 174.39 2pc0 s ILE 1085N 1.06 4.96 0.54 2.92 -1.09 0.31 -1.29 121.20 128.62 2pc0 s ILE 1085Ca -0.03 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 2pc0 s ILE 1085Cb -0.14 -4.16 0.11 0.00 -1.58 0.00 0.00 42.46 36.69 2pc0 s ILE 1085CO -0.05 -0.57 0.74 0.61 -1.23 0.00 0.00 174.94 174.44 2pc0 n GLY 1086N 5.11 0.83 0.26 6.18 0.00 -1.23 -1.20 105.19 115.13 2pc0 n GLY 1086Ca -0.06 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.01 2pc0 n GLY 1086CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pc0 h ARG 1087N 0.00 0.00 -0.99 1.61 3.08 -0.86 -1.24 114.38 115.97 2pc0 h ARG 1087Ca -0.25 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.86 2pc0 h ARG 1087Cb 0.93 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.92 2pc0 h ARG 1087CO 0.27 0.02 0.64 -2.95 -1.07 0.00 0.00 179.97 176.89 2pc0 h ASN 1088N 0.00 1.04 0.42 7.04 -1.07 -1.75 -0.42 115.58 120.84 2pc0 h ASN 1088Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.08 2pc0 h ASN 1088Cb 0.04 -0.22 -0.05 0.00 -2.07 0.00 0.00 38.32 36.02 2pc0 h ASN 1088CO 0.00 0.67 -1.81 0.18 0.07 0.00 0.00 177.43 176.55 2pc0 n LEU 1089N -4.48 0.71 -0.34 6.14 4.77 -0.77 -3.47 117.00 119.55 2pc0 n LEU 1089Ca 0.15 0.34 0.04 0.00 -0.03 0.00 0.00 56.01 56.51 2pc0 n LEU 1089Cb 0.17 0.22 0.22 0.00 -2.33 0.00 0.00 43.42 41.70 2pc0 n LEU 1089CO 0.33 0.39 1.25 -0.07 -1.33 0.00 0.00 177.39 177.96 2pc0 h LEU 1090N 0.00 0.96 -0.74 2.23 3.38 -1.04 -1.91 115.31 118.19 2pc0 h LEU 1090Ca -0.32 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2pc0 h LEU 1090Cb 2.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.56 2pc0 h LEU 1090CO 0.07 0.59 0.04 0.74 0.09 0.00 0.00 178.44 179.97 2pc0 h THR 1091N 1.07 1.26 -0.39 0.22 2.02 -1.19 -0.63 112.91 115.26 2pc0 h THR 1091Ca 0.43 -1.07 -0.11 0.00 0.77 0.00 0.00 66.41 66.43 2pc0 h THR 1091Cb 0.26 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2pc0 h THR 1091CO -0.18 0.39 -0.22 1.56 0.37 0.00 0.00 175.52 177.44 2pc0 h GLN 1092N 0.93 0.78 -0.01 6.66 1.08 -1.43 -2.83 115.11 120.30 2pc0 h GLN 1092Ca 0.18 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2pc0 h GLN 1092Cb 0.48 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2pc0 h GLN 1092CO 0.02 0.92 0.00 0.44 -0.95 0.00 0.00 178.83 179.26 2pc0 n ILE 1093N -4.12 0.00 -1.95 2.54 -5.35 -0.78 -4.92 119.36 104.78 2pc0 n ILE 1093Ca 0.00 -0.12 -0.03 0.00 -0.27 0.00 0.00 62.75 62.33 2pc0 n ILE 1093Cb 0.43 -0.03 -0.00 0.00 -1.74 0.00 0.00 39.64 38.30 2pc0 n ILE 1093CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pc0 n GLY 1094N 1.08 0.28 3.70 3.28 0.00 -0.99 -5.00 105.19 107.54 2pc0 n GLY 1094Ca 0.22 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2pc0 n GLY 1094CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pc0 s THR 1096N 1.37 1.88 0.01 0.00 -4.23 -1.26 -4.63 115.64 108.77 2pc0 s THR 1096Ca 0.52 -2.17 -0.17 0.00 -1.18 0.00 0.00 61.69 58.69 2pc0 s THR 1096Cb -0.22 -2.04 -0.06 0.00 1.34 0.00 0.00 72.50 71.53 2pc0 s THR 1096CO 0.25 -0.49 0.48 -0.76 -0.54 0.00 0.00 174.62 173.55 2pc0 s LEU 1097N -3.19 4.47 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.82 2pc0 s LEU 1097Ca 0.22 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 2pc0 s LEU 1097Cb -0.03 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.50 2pc0 s LEU 1097CO 0.08 0.26 0.02 0.20 0.23 0.00 0.00 176.35 177.14 2pc0 s ASN 1098N -0.85 0.09 0.00 2.29 0.01 -1.26 -5.29 114.94 109.92 2pc0 s ASN 1098Ca 0.26 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.43 2pc0 s ASN 1098Cb -0.17 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.43 2pc0 s ASN 1098CO 0.15 -0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.88