#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqb s SER -5 N 0.00 5.25 0.51 1.61 0.01 -1.26 -5.08 113.70 114.74 2cqb s SER -5 Ca 0.00 -3.42 -0.21 0.00 1.31 0.00 0.00 55.95 53.63 2cqb s SER -5 Cb 0.00 -1.79 -0.07 0.00 0.21 0.00 0.00 66.02 64.38 2cqb s SER -5 CO 0.00 -0.22 1.13 -0.44 0.41 0.00 0.00 173.24 174.13 2cqb s SER -4 N -0.27 5.94 0.00 2.44 0.01 -1.26 -4.90 113.70 115.65 2cqb s SER -4 Ca 0.22 2.20 0.00 0.00 1.31 0.00 0.00 55.95 59.68 2cqb s SER -4 Cb -0.13 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2cqb s SER -4 CO -0.09 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.10 2cqb n GLY -3 N 0.23 2.69 2.75 3.44 0.00 -1.26 -5.10 105.19 107.93 2cqb n GLY -3 Ca 0.10 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 2cqb n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqb s SER -2 N 0.00 1.25 -0.30 1.61 0.15 -1.26 -5.11 113.70 110.05 2cqb s SER -2 Ca 0.00 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2cqb s SER -2 Cb 0.00 0.13 0.19 0.00 -1.71 0.00 0.00 66.02 64.63 2cqb s SER -2 CO 0.00 -0.28 0.63 -0.94 1.20 0.00 0.00 173.24 173.85 2cqb s SER -1 N 2.25 -1.40 -0.29 5.45 1.04 -1.26 -5.12 113.70 114.37 2cqb s SER -1 Ca 0.04 0.62 0.02 0.00 0.48 0.00 0.00 55.95 57.11 2cqb s SER -1 Cb -0.14 2.07 0.20 0.00 0.10 0.00 0.00 66.02 68.25 2cqb s SER -1 CO -0.07 -0.26 0.68 -0.83 0.98 0.00 0.00 173.24 173.74 2cqb s GLY 0 N 2.86 -1.17 0.60 7.32 0.00 -1.26 -5.15 107.32 110.52 2cqb s GLY 0 Ca 0.17 1.35 -0.18 0.00 0.00 0.00 0.00 44.72 46.06 2cqb s GLY 0 CO -0.22 3.74 -0.17 1.15 0.00 0.00 0.00 173.10 177.59 2cqb n MET 1 N 5.37 0.04 -4.35 2.90 -0.00 -1.26 -4.86 117.12 114.97 2cqb n MET 1 Ca 0.05 0.02 -0.19 0.00 -0.00 0.00 0.00 57.70 57.58 2cqb n MET 1 Cb 0.54 -1.07 -0.14 0.00 -0.00 0.00 0.00 33.22 32.55 2cqb n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cqb s ALA 2 N -1.98 0.90 -0.05 3.17 0.00 -1.26 -4.66 121.76 117.87 2cqb s ALA 2 Ca 0.55 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 2cqb s ALA 2 Cb -0.44 -0.17 -0.31 0.00 0.00 0.00 0.00 23.12 22.21 2cqb s ALA 2 CO 0.68 0.18 0.78 1.79 0.00 0.00 0.00 175.76 179.19 2cqb h THR 3 N 4.73 1.23 -3.68 0.00 1.35 -1.95 -3.46 112.91 111.13 2cqb h THR 3 Ca -0.34 -2.52 -0.62 0.00 -0.55 0.00 0.00 66.41 62.38 2cqb h THR 3 Cb 1.18 2.96 -0.32 0.00 -1.73 0.00 0.00 68.15 70.24 2cqb h THR 3 CO 0.47 0.75 -0.86 0.28 -0.25 0.00 0.00 175.52 175.91 2cqb s THR 4 N -2.50 1.71 -0.63 6.82 -1.32 -1.26 -5.03 115.64 113.44 2cqb s THR 4 Ca -0.15 -0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 59.47 2cqb s THR 4 Cb 0.03 -1.48 0.46 0.00 -1.51 0.00 0.00 72.50 70.01 2cqb s THR 4 CO 0.84 0.48 1.97 0.29 -2.21 0.00 0.00 174.62 175.99 2cqb n LYS 5 N 3.32 2.73 -0.07 7.08 5.02 -1.26 -4.40 118.16 130.58 2cqb n LYS 5 Ca -0.19 -3.34 -0.13 0.00 -2.02 0.00 0.00 58.31 52.63 2cqb n LYS 5 Cb 0.52 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.20 2cqb n LYS 5 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2cqb n ARG 6 N -0.92 0.31 -2.28 1.97 1.74 -1.26 -4.52 116.66 111.71 2cqb n ARG 6 Ca 0.61 0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 57.40 2cqb n ARG 6 Cb 0.74 -1.10 -0.03 0.00 -1.02 0.00 0.00 32.46 31.05 2cqb n ARG 6 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2cqb s VAL 7 N -2.26 3.61 0.32 1.55 1.01 -1.26 -2.64 120.40 120.73 2cqb s VAL 7 Ca -0.19 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 2cqb s VAL 7 Cb 0.07 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 2cqb s VAL 7 CO 0.27 -1.16 0.67 -0.76 0.00 0.00 0.00 175.10 174.12 2cqb s LEU 8 N 7.06 4.02 -0.12 3.92 1.43 0.15 -1.98 118.68 133.16 2cqb s LEU 8 Ca 0.56 1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 54.69 2cqb s LEU 8 Cb -0.12 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 2cqb s LEU 8 CO 0.22 -0.23 -0.05 -0.47 0.23 0.00 0.00 176.35 176.05 2cqb s TYR 9 N -2.08 2.98 -0.07 0.29 6.14 0.13 -0.74 117.35 124.01 2cqb s TYR 9 Ca 0.50 -0.21 0.05 0.00 0.64 0.00 0.00 57.07 58.05 2cqb s TYR 9 Cb -0.11 -1.86 -0.01 0.00 0.42 0.00 0.00 41.96 40.40 2cqb s TYR 9 CO 0.25 0.09 -0.23 0.08 0.64 0.00 0.00 175.55 176.37 2cqb s VAL 10 N -0.06 2.19 0.22 3.14 1.01 -0.55 -1.92 120.40 124.43 2cqb s VAL 10 Ca 0.01 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2cqb s VAL 10 Cb -0.13 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2cqb s VAL 10 CO 0.03 0.57 0.01 -0.83 0.00 0.00 0.00 175.10 174.88 2cqb s GLY 11 N -0.12 1.51 -0.83 4.51 0.00 0.45 -1.85 107.32 111.00 2cqb s GLY 11 Ca -0.05 -1.74 -0.03 0.00 0.00 0.00 0.00 44.72 42.90 2cqb s GLY 11 CO 0.04 -1.62 0.39 0.61 0.00 0.00 0.00 173.10 172.52 2cqb n GLY 12 N -0.39 0.05 1.95 0.20 0.00 -0.85 -1.51 105.19 104.64 2cqb n GLY 12 Ca -0.05 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2cqb n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cqb n LEU 13 N -2.43 0.00 -4.74 0.99 4.77 -1.15 -4.44 117.00 110.01 2cqb n LEU 13 Ca -0.05 -0.78 -0.23 0.00 -0.03 0.00 0.00 56.01 54.92 2cqb n LEU 13 Cb 0.56 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2cqb n LEU 13 CO 0.27 -0.94 -0.21 0.00 -1.33 0.00 0.00 177.39 175.18 2cqb s ALA 14 N -3.84 3.46 -1.92 -1.18 0.00 -1.26 -4.86 121.76 112.16 2cqb s ALA 14 Ca 0.37 -1.71 0.18 0.00 0.00 0.00 0.00 51.96 50.80 2cqb s ALA 14 Cb -0.01 -0.87 1.04 0.00 0.00 0.00 0.00 23.12 23.28 2cqb s ALA 14 CO 0.26 0.12 1.47 -0.85 0.00 0.00 0.00 175.76 176.76 2cqb n GLU 15 N -1.11 0.52 -0.00 0.00 0.28 -1.26 -1.98 120.64 117.08 2cqb n GLU 15 Ca -0.04 0.02 0.03 0.00 -0.16 0.00 0.00 57.16 57.01 2cqb n GLU 15 Cb 0.60 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.92 2cqb n GLU 15 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cqb n GLU 16 N -1.04 3.12 -2.80 3.44 1.02 -1.26 -4.99 120.64 118.14 2cqb n GLU 16 Ca 0.13 -0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 2cqb n GLU 16 Cb 0.07 -0.95 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2cqb s VAL 17 N -1.96 4.90 0.32 2.62 1.01 -0.84 -4.93 120.40 121.53 2cqb s VAL 17 Ca 0.01 1.89 0.05 0.00 0.00 0.00 0.00 61.98 63.93 2cqb s VAL 17 Cb 0.05 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2cqb s VAL 17 CO 0.29 0.15 0.22 -1.81 0.00 0.00 0.00 175.10 173.95 2cqb s ASP 18 N 0.98 1.59 0.49 3.32 1.11 -1.26 -4.76 116.67 118.14 2cqb s ASP 18 Ca 0.47 -1.66 0.33 0.00 0.18 0.00 0.00 52.55 51.87 2cqb s ASP 18 Cb -0.20 0.50 1.44 0.00 1.07 0.00 0.00 42.92 45.74 2cqb s ASP 18 CO 0.23 -0.99 1.72 -2.24 1.18 0.00 0.00 175.17 175.08 2cqb h ASP 19 N 2.17 0.16 0.30 0.27 3.04 -1.96 0.82 116.42 121.22 2cqb h ASP 19 Ca -0.29 0.05 -0.01 0.00 -3.24 0.00 0.00 57.03 53.53 2cqb h ASP 19 Cb 1.24 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2cqb h ASP 19 CO 0.44 -0.02 -0.14 0.07 -2.04 0.00 0.00 179.24 177.55 2cqb h LYS 20 N 0.12 -0.39 -0.37 4.15 2.10 -1.98 0.13 116.57 120.33 2cqb h LYS 20 Ca 0.68 0.03 0.05 0.00 -2.00 0.00 0.00 60.65 59.41 2cqb h LYS 20 Cb 2.37 0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 33.75 2cqb h LYS 20 CO -0.17 -0.06 0.10 0.28 -2.00 0.00 0.00 179.45 177.60 2cqb h VAL 21 N -0.81 0.85 -0.57 0.07 2.07 -1.26 -1.06 116.25 115.54 2cqb h VAL 21 Ca -0.04 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 2cqb h VAL 21 Cb 0.51 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2cqb h VAL 21 CO 0.07 0.04 -0.02 -0.07 0.02 0.00 0.00 177.57 177.61 2cqb h LEU 22 N 0.23 0.98 -0.37 2.57 3.38 -1.21 -0.65 115.31 120.24 2cqb h LEU 22 Ca 0.17 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2cqb h LEU 22 Cb 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2cqb h LEU 22 CO -0.21 1.04 0.18 -0.74 0.09 0.00 0.00 178.44 178.80 2cqb h HIS 23 N 0.91 0.33 0.00 1.13 2.76 -0.09 0.56 115.15 120.75 2cqb h HIS 23 Ca 0.16 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2cqb h HIS 23 Cb 0.55 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2cqb h HIS 23 CO 0.04 0.18 0.00 0.00 -1.30 0.00 0.00 177.93 176.84 2cqb h ALA 24 N 1.19 1.00 0.00 5.26 0.00 -1.09 0.15 119.26 125.77 2cqb h ALA 24 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2cqb h ALA 24 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2cqb h ALA 24 CO -0.11 0.00 -0.78 0.00 0.00 0.00 0.00 179.25 178.36 2cqb n ALA 25 N -2.08 3.04 0.10 0.00 0.00 -0.26 -3.97 120.51 117.34 2cqb n ALA 25 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.18 2cqb n ALA 25 Cb 0.43 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.79 2cqb n ALA 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2cqb n PHE 26 N -2.10 0.00 0.13 0.00 3.01 0.19 -4.64 117.46 114.05 2cqb n PHE 26 Ca 0.03 -0.02 0.07 0.00 1.01 0.00 0.00 57.45 58.53 2cqb n PHE 26 Cb 0.45 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.46 2cqb n PHE 26 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 2cqb h ILE 27 N 0.48 1.03 0.13 4.37 6.09 -0.82 -2.80 117.51 125.99 2cqb h ILE 27 Ca 0.00 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 63.40 2cqb h ILE 27 Cb 0.12 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.18 2cqb h ILE 27 CO 0.00 0.04 -0.07 -0.65 -3.07 0.00 0.00 178.15 174.41 2cqb h PRO 28 N 0.24 -0.17 0.00 2.19 0.11 -1.82 -3.29 132.00 129.26 2cqb h PRO 28 Ca 0.08 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2cqb h PRO 28 Cb 0.04 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2cqb h PRO 28 CO -0.02 -0.12 0.00 1.19 -0.21 0.00 0.00 178.00 178.85 2cqb n PHE 29 N -5.17 0.00 -1.24 0.65 3.72 -1.06 -4.91 117.46 109.45 2cqb n PHE 29 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2cqb n PHE 29 Cb 0.10 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 2cqb n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cqb n GLY 30 N -0.98 5.50 2.83 1.37 0.00 -1.24 -5.01 105.19 107.66 2cqb n GLY 30 Ca 0.00 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 2cqb n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cqb n ASP 31 N 0.00 4.85 -4.33 1.61 8.00 -1.26 -4.68 116.55 120.74 2cqb n ASP 31 Ca 0.00 -3.34 -0.62 0.00 0.71 0.00 0.00 54.79 51.54 2cqb n ASP 31 Cb 0.00 -1.00 -0.09 0.00 -0.02 0.00 0.00 41.12 40.01 2cqb n ASP 31 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2cqb n ILE 32 N 1.45 0.00 0.04 0.53 5.41 -1.26 -3.95 119.36 121.57 2cqb n ILE 32 Ca 0.26 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.81 2cqb n ILE 32 Cb 0.37 -0.46 -0.14 0.00 -0.71 0.00 0.00 39.64 38.70 2cqb n ILE 32 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2cqb h THR 33 N 4.58 1.47 -2.56 1.39 1.35 -1.80 -3.48 112.91 113.86 2cqb h THR 33 Ca -0.40 -2.51 0.09 0.00 -0.55 0.00 0.00 66.41 63.04 2cqb h THR 33 Cb 1.25 3.15 -0.11 0.00 -1.73 0.00 0.00 68.15 70.71 2cqb h THR 33 CO 0.89 0.71 0.39 -1.81 -0.25 0.00 0.00 175.52 175.45 2cqb s ASP 34 N -6.94 -0.35 0.04 5.36 1.01 -1.26 -5.07 116.67 109.46 2cqb s ASP 34 Ca -0.15 -0.18 0.02 0.00 0.71 0.00 0.00 52.55 52.95 2cqb s ASP 34 Cb 0.01 0.51 -0.02 0.00 1.01 0.00 0.00 42.92 44.42 2cqb s ASP 34 CO 0.81 -0.87 -0.07 -0.63 0.21 0.00 0.00 175.17 174.62 2cqb s ILE 35 N -3.42 0.48 -0.12 0.77 1.01 -1.26 -1.67 121.20 117.00 2cqb s ILE 35 Ca 0.07 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.69 2cqb s ILE 35 Cb -0.02 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.90 2cqb s ILE 35 CO -0.05 -0.39 -0.20 -1.10 0.00 0.00 0.00 174.94 173.19 2cqb s GLN 36 N -1.55 2.73 -0.16 2.79 1.11 -0.45 -5.03 119.66 119.11 2cqb s GLN 36 Ca -0.11 -0.75 0.01 0.00 0.01 0.00 0.00 55.36 54.52 2cqb s GLN 36 Cb -0.10 -2.20 0.01 0.00 -1.01 0.00 0.00 33.01 29.71 2cqb s GLN 36 CO 0.00 0.02 -0.18 0.42 0.01 0.00 0.00 175.29 175.56 2cqb s ILE 37 N 0.75 2.39 -0.37 1.08 -1.09 -1.26 -1.98 121.20 120.72 2cqb s ILE 37 Ca -0.10 -0.86 -0.28 0.00 -2.23 0.00 0.00 60.65 57.18 2cqb s ILE 37 Cb -0.16 -1.99 -0.01 0.00 -1.58 0.00 0.00 42.46 38.72 2cqb s ILE 37 CO 0.01 0.53 1.72 -2.16 -1.23 0.00 0.00 174.94 173.80 2cqb s PRO 38 N 0.91 3.33 0.21 2.79 0.04 -1.26 -4.99 135.00 136.03 2cqb s PRO 38 Ca -0.04 1.24 0.11 0.00 0.04 0.00 0.00 61.00 62.35 2cqb s PRO 38 Cb -0.15 -4.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.17 2cqb s PRO 38 CO -0.03 -1.87 -0.21 -0.51 0.04 0.00 0.00 177.00 174.42 2cqb s LEU 39 N 6.75 2.49 0.88 -3.56 1.43 -1.26 -3.53 118.68 121.88 2cqb s LEU 39 Ca 0.74 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 2cqb s LEU 39 Cb -0.20 -1.06 0.17 0.00 0.03 0.00 0.00 46.19 45.14 2cqb s LEU 39 CO 0.32 0.05 1.22 -0.62 0.23 0.00 0.00 176.35 177.55 2cqb s ASP 40 N -2.95 3.61 0.00 2.29 2.15 -1.12 -4.82 116.67 115.82 2cqb s ASP 40 Ca 0.23 0.18 0.23 0.00 0.43 0.00 0.00 52.55 53.61 2cqb s ASP 40 Cb -0.06 -0.37 0.06 0.00 -0.30 0.00 0.00 42.92 42.25 2cqb s ASP 40 CO 0.11 -2.40 1.13 0.00 -0.17 0.00 0.00 175.17 173.84 2cqb n TYR 41 N -3.47 0.00 0.00 -5.34 0.18 -1.26 -2.92 117.16 104.35 2cqb n TYR 41 Ca 0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.92 2cqb n TYR 41 Cb 0.60 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.55 2cqb n TYR 41 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 2cqb n GLU 42 N -0.08 0.64 -0.01 -3.48 0.28 -1.26 -4.79 120.64 111.94 2cqb n GLU 42 Ca 0.10 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.19 2cqb n GLU 42 Cb 0.46 -0.90 -0.14 0.00 1.43 0.00 0.00 31.44 32.28 2cqb n GLU 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2cqb n THR 43 N -2.19 0.00 -2.76 3.84 -2.24 -1.26 -4.98 114.28 104.69 2cqb n THR 43 Ca 0.00 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.25 2cqb n THR 43 Cb 0.40 0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2cqb n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cqb n GLU 44 N -2.07 -2.69 -4.31 -0.78 4.71 -1.15 -4.81 120.64 109.53 2cqb n GLU 44 Ca -0.03 0.45 -0.24 0.00 -0.01 0.00 0.00 57.16 57.33 2cqb n GLU 44 Cb 0.48 -5.06 -0.08 0.00 -1.01 0.00 0.00 31.44 25.76 2cqb n GLU 44 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2cqb s LYS 45 N -5.35 2.17 0.43 3.49 -2.85 -1.26 -4.52 119.74 111.83 2cqb s LYS 45 Ca 0.13 -1.41 0.07 0.00 -1.00 0.00 0.00 55.97 53.77 2cqb s LYS 45 Cb -0.07 -2.12 0.01 0.00 -2.06 0.00 0.00 37.83 33.59 2cqb s LYS 45 CO 0.16 0.38 0.58 -3.38 0.10 0.00 0.00 175.35 173.20 2cqb s HIS 46 N -2.16 2.83 -0.25 1.78 -3.43 -1.23 -2.78 115.29 110.05 2cqb s HIS 46 Ca 0.29 -0.36 -0.16 0.00 -0.80 0.00 0.00 55.06 54.03 2cqb s HIS 46 Cb -0.07 -2.39 -0.13 0.00 -1.43 0.00 0.00 32.58 28.56 2cqb s HIS 46 CO 0.18 -0.44 -0.21 -2.13 -2.00 0.00 0.00 174.74 170.14 2cqb n ARG 47 N -1.88 0.58 0.00 -0.38 3.00 -1.26 -5.00 116.66 111.71 2cqb n ARG 47 Ca 0.08 0.34 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 2cqb n ARG 47 Cb 0.59 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.50 2cqb n ARG 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2cqb n GLY 48 N 1.32 0.00 3.58 5.14 0.00 -1.26 -4.87 105.19 109.10 2cqb n GLY 48 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 2cqb n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cqb s PHE 49 N 0.00 -0.22 0.28 1.61 -0.12 -1.26 -2.01 117.98 116.26 2cqb s PHE 49 Ca 0.00 0.25 -0.11 0.00 -0.05 0.00 0.00 56.93 57.02 2cqb s PHE 49 Cb 0.00 0.50 0.04 0.00 -0.63 0.00 0.00 43.02 42.93 2cqb s PHE 49 CO 0.00 -0.28 0.58 0.00 -0.05 0.00 0.00 175.22 175.47 2cqb n ALA 50 N 0.20 -1.31 -3.66 1.99 0.00 -0.77 -4.35 120.51 112.60 2cqb n ALA 50 Ca -0.04 -0.91 -0.25 0.00 0.00 0.00 0.00 53.44 52.24 2cqb n ALA 50 Cb 0.59 0.72 -0.17 0.00 0.00 0.00 0.00 19.45 20.59 2cqb n ALA 50 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2cqb s PHE 51 N -4.02 1.32 -0.13 0.00 0.08 -0.84 -1.48 117.98 112.92 2cqb s PHE 51 Ca 0.12 -0.55 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 2cqb s PHE 51 Cb -0.04 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 2cqb s PHE 51 CO 0.08 -0.35 -0.02 0.08 -0.10 0.00 0.00 175.22 174.91 2cqb s VAL 52 N 1.15 4.11 -0.24 -0.44 1.01 0.08 -1.34 120.40 124.73 2cqb s VAL 52 Ca -0.06 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 2cqb s VAL 52 Cb -0.14 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2cqb s VAL 52 CO -0.02 0.54 0.15 -0.70 0.00 0.00 0.00 175.10 175.07 2cqb s GLU 53 N -0.18 4.03 -0.02 2.72 2.12 -0.67 0.30 118.70 127.01 2cqb s GLU 53 Ca 0.04 -0.29 -0.05 0.00 0.36 0.00 0.00 54.97 55.03 2cqb s GLU 53 Cb -0.13 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 2cqb s GLU 53 CO 0.02 0.06 0.21 -0.06 -0.54 0.00 0.00 175.26 174.95 2cqb s PHE 54 N 1.05 3.57 0.40 5.30 0.40 -1.08 -2.49 117.98 125.14 2cqb s PHE 54 Ca 0.07 0.49 0.09 0.00 -0.60 0.00 0.00 56.93 56.97 2cqb s PHE 54 Cb -0.14 -1.92 0.88 0.00 0.51 0.00 0.00 43.02 42.35 2cqb s PHE 54 CO 0.04 0.65 2.00 1.49 0.70 0.00 0.00 175.22 180.10 2cqb h GLU 55 N 4.09 0.56 -5.07 0.44 4.81 -1.93 -3.44 114.58 114.04 2cqb h GLU 55 Ca -0.50 -0.03 -0.42 0.00 -0.13 0.00 0.00 59.36 58.28 2cqb h GLU 55 Cb 1.20 -0.13 -0.14 0.00 0.63 0.00 0.00 28.75 30.31 2cqb h GLU 55 CO 0.66 0.37 -0.61 -0.51 -0.73 0.00 0.00 179.01 178.19 2cqb s LEU 56 N -9.51 1.92 -0.13 1.64 1.43 -1.26 -5.08 118.68 107.69 2cqb s LEU 56 Ca -0.09 -1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 51.45 2cqb s LEU 56 Cb 0.19 -0.19 -0.16 0.00 0.03 0.00 0.00 46.19 46.06 2cqb s LEU 56 CO 0.75 -0.67 0.43 0.00 0.23 0.00 0.00 176.35 177.09 2cqb h ALA 57 N 2.24 0.02 -0.79 4.21 0.00 -1.85 -3.25 119.26 119.83 2cqb h ALA 57 Ca -0.40 -0.36 0.16 0.00 0.00 0.00 0.00 54.91 54.31 2cqb h ALA 57 Cb 1.25 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 2cqb h ALA 57 CO 0.65 0.06 -0.16 1.05 0.00 0.00 0.00 179.25 180.85 2cqb h GLU 58 N -1.00 0.01 -0.48 0.00 4.11 -1.99 0.23 114.58 115.47 2cqb h GLU 58 Ca -0.02 -0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.47 2cqb h GLU 58 Cb 0.65 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2cqb h GLU 58 CO -0.01 0.01 0.18 -0.44 0.07 0.00 0.00 179.01 178.82 2cqb h ASP 59 N 0.01 0.21 0.07 3.06 3.32 -1.95 -2.21 116.42 118.92 2cqb h ASP 59 Ca 0.39 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.52 2cqb h ASP 59 Cb 0.62 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 2cqb h ASP 59 CO -0.80 0.15 -0.25 0.00 -1.72 0.00 0.00 179.24 176.63 2cqb h ALA 60 N 1.31 -0.38 -0.82 3.45 0.00 -0.61 -1.38 119.26 120.83 2cqb h ALA 60 Ca 0.23 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.27 2cqb h ALA 60 Cb 0.22 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2cqb h ALA 60 CO -0.22 -0.77 0.37 0.00 0.00 0.00 0.00 179.25 178.63 2cqb h ALA 61 N 0.37 1.21 -0.64 0.00 0.00 -0.96 -0.30 119.26 118.95 2cqb h ALA 61 Ca 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2cqb h ALA 61 Cb 0.47 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2cqb h ALA 61 CO -0.17 -0.19 0.33 0.00 0.00 0.00 0.00 179.25 179.22 2cqb h ALA 62 N 1.59 0.82 -0.99 0.00 0.00 -0.79 -2.19 119.26 117.69 2cqb h ALA 62 Ca 0.46 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.30 2cqb h ALA 62 Cb 0.73 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2cqb h ALA 62 CO -0.42 0.35 0.65 0.00 0.00 0.00 0.00 179.25 179.83 2cqb h ALA 63 N 1.16 1.37 0.66 0.00 0.00 0.01 -2.21 119.26 120.24 2cqb h ALA 63 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2cqb h ALA 63 Cb 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.53 2cqb h ALA 63 CO -0.03 0.52 -0.32 0.82 0.00 0.00 0.00 179.25 180.24 2cqb h ILE 64 N 1.23 0.13 -0.45 0.00 2.04 -0.99 0.82 117.51 120.28 2cqb h ILE 64 Ca 0.40 -0.32 0.13 0.00 1.00 0.00 0.00 64.86 66.08 2cqb h ILE 64 Cb 0.05 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 2cqb h ILE 64 CO -0.14 0.02 0.61 0.44 0.00 0.00 0.00 178.15 179.08 2cqb h ASP 65 N -1.16 0.00 0.00 1.72 3.32 -1.28 0.27 116.42 119.28 2cqb h ASP 65 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2cqb h ASP 65 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2cqb h ASP 65 CO 0.15 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.26 2cqb n ASN 66 N -3.42 0.00 -0.60 6.45 3.02 -0.84 -4.45 115.26 115.42 2cqb n ASN 66 Ca 0.09 0.05 0.48 0.00 -0.03 0.00 0.00 54.58 55.16 2cqb n ASN 66 Cb 0.78 -0.25 0.79 0.00 -0.61 0.00 0.00 39.78 40.49 2cqb n ASN 66 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2cqb h MET 67 N 0.00 0.00 -6.13 3.52 2.86 0.70 -3.41 114.93 112.47 2cqb h MET 67 Ca 0.00 0.00 -0.76 0.00 -2.06 0.00 0.00 59.70 56.88 2cqb h MET 67 Cb 0.00 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.68 2cqb h MET 67 CO 0.00 0.00 0.85 -1.71 1.06 0.00 0.00 176.91 177.11 2cqb n ASN 68 N -3.94 2.17 -3.71 1.22 2.85 0.93 -0.23 115.26 114.55 2cqb n ASN 68 Ca 0.39 1.09 -0.24 0.00 -0.11 0.00 0.00 54.58 55.72 2cqb n ASN 68 Cb 1.83 -1.10 0.05 0.00 1.24 0.00 0.00 39.78 41.79 2cqb n ASN 68 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2cqb n GLU 69 N 5.05 -5.92 -2.65 1.20 1.02 -1.07 -4.97 120.64 113.30 2cqb n GLU 69 Ca 0.27 0.68 -0.22 0.00 -0.02 0.00 0.00 57.16 57.87 2cqb n GLU 69 Cb 0.10 -5.51 0.08 0.00 -0.02 0.00 0.00 31.44 26.10 2cqb n GLU 69 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2cqb s SER 70 N -3.84 4.66 -0.22 1.62 0.01 0.68 -4.86 113.70 111.75 2cqb s SER 70 Ca 0.32 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 57.22 2cqb s SER 70 Cb -0.15 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2cqb s SER 70 CO 0.79 -1.62 -0.07 -0.70 0.41 0.00 0.00 173.24 172.04 2cqb s GLU 71 N -4.99 3.23 -0.02 12.44 2.12 -1.26 -2.36 118.70 127.86 2cqb s GLU 71 Ca 0.63 -0.71 -0.00 0.00 0.36 0.00 0.00 54.97 55.25 2cqb s GLU 71 Cb -0.07 -2.92 0.02 0.00 0.26 0.00 0.00 34.13 31.42 2cqb s GLU 71 CO 0.42 -0.23 0.03 -1.17 -0.54 0.00 0.00 175.26 173.77 2cqb s LEU 72 N 1.42 1.48 -1.59 2.70 2.96 0.60 -4.82 118.68 121.43 2cqb s LEU 72 Ca 0.05 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 2cqb s LEU 72 Cb -0.14 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.56 2cqb s LEU 72 CO -0.05 -0.07 0.00 0.49 -1.32 0.00 0.00 176.35 175.40 2cqb n PHE 73 N 3.64 -0.82 -2.30 5.38 3.01 -1.26 -0.86 117.46 124.25 2cqb n PHE 73 Ca -0.20 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.20 2cqb n PHE 73 Cb 0.55 -3.28 0.00 0.00 -0.01 0.00 0.00 39.48 36.74 2cqb n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cqb n GLY 74 N -0.70 0.23 3.29 1.37 0.00 -1.26 -5.04 105.19 103.09 2cqb n GLY 74 Ca -0.19 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2cqb n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cqb s ARG 75 N -4.59 0.96 -0.04 1.61 1.70 -0.04 -5.15 118.95 113.40 2cqb s ARG 75 Ca 0.05 -0.60 -0.19 0.00 -0.47 0.00 0.00 55.73 54.51 2cqb s ARG 75 Cb -0.02 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 2cqb s ARG 75 CO 0.06 -0.34 0.54 0.99 -1.08 0.00 0.00 175.30 175.46 2cqb s THR 76 N -3.21 5.01 0.29 4.99 2.01 -1.26 -0.29 115.64 123.17 2cqb s THR 76 Ca -0.01 1.11 0.11 0.00 0.31 0.00 0.00 61.69 63.21 2cqb s THR 76 Cb 0.01 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2cqb s THR 76 CO -0.08 0.41 -0.11 0.27 -0.69 0.00 0.00 174.62 174.42 2cqb s ILE 77 N -0.03 2.79 -0.10 1.82 -4.36 -0.99 -4.73 121.20 115.60 2cqb s ILE 77 Ca 0.29 -2.19 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 2cqb s ILE 77 Cb -0.17 -2.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.98 2cqb s ILE 77 CO 0.15 -0.36 -0.18 -0.13 0.24 0.00 0.00 174.94 174.66 2cqb s ARG 78 N -3.59 3.10 0.00 0.37 3.00 -0.57 -2.58 118.95 118.68 2cqb s ARG 78 Ca 0.31 -0.77 0.07 0.00 0.00 0.00 0.00 55.73 55.34 2cqb s ARG 78 Cb -0.05 -2.45 -0.02 0.00 0.00 0.00 0.00 34.95 32.44 2cqb s ARG 78 CO 0.17 0.26 -0.23 0.08 0.00 0.00 0.00 175.30 175.58 2cqb s VAL 79 N 0.18 1.85 -0.05 3.52 1.01 -1.26 -0.41 120.40 125.24 2cqb s VAL 79 Ca -0.10 -1.08 -0.31 0.00 0.00 0.00 0.00 61.98 60.49 2cqb s VAL 79 Cb -0.16 -1.55 0.12 0.00 0.00 0.00 0.00 36.38 34.79 2cqb s VAL 79 CO 0.06 0.45 1.19 0.21 0.00 0.00 0.00 175.10 177.01 2cqb s ASN 80 N -0.74 -0.12 0.27 3.32 3.84 -0.81 -4.75 114.94 115.95 2cqb s ASN 80 Ca 0.09 -0.11 -0.30 0.00 0.21 0.00 0.00 52.86 52.75 2cqb s ASN 80 Cb -0.09 0.21 -0.13 0.00 -0.55 0.00 0.00 41.25 40.69 2cqb s ASN 80 CO -0.00 -0.38 1.30 0.18 -2.79 0.00 0.00 177.10 175.41 2cqb n LEU 81 N -0.34 2.89 -4.63 3.21 4.77 -1.26 0.20 117.00 121.84 2cqb n LEU 81 Ca -0.05 1.16 -0.31 0.00 -0.03 0.00 0.00 56.01 56.78 2cqb n LEU 81 Cb 0.61 -1.40 0.17 0.00 -2.33 0.00 0.00 43.42 40.47 2cqb n LEU 81 CO 0.11 -0.69 0.59 0.00 -1.33 0.00 0.00 177.39 176.08 2cqb n ALA 82 N 1.22 -1.11 -1.85 -1.18 0.00 -0.84 -4.61 120.51 112.15 2cqb n ALA 82 Ca 0.10 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 2cqb n ALA 82 Cb 0.32 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 2cqb n ALA 82 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cqb s LYS 83 N -4.53 3.97 0.00 0.00 1.02 -1.26 -4.94 119.74 114.00 2cqb s LYS 83 Ca 0.66 0.96 0.15 0.00 0.02 0.00 0.00 55.97 57.76 2cqb s LYS 83 Cb -0.23 -2.15 0.84 0.00 -0.52 0.00 0.00 37.83 35.77 2cqb s LYS 83 CO 0.59 -0.24 1.38 -0.35 -0.92 0.00 0.00 175.35 175.81 2cqb n PRO 84 N -1.49 0.34 -1.77 -1.68 -0.04 -1.26 -4.77 135.00 124.33 2cqb n PRO 84 Ca 0.06 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.18 2cqb n PRO 84 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2cqb n PRO 84 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2cqb s MET 85 N -2.30 3.92 -0.06 0.54 1.75 -1.26 -4.95 119.30 116.94 2cqb s MET 85 Ca 0.19 2.32 -0.30 0.00 -1.25 0.00 0.00 55.69 56.64 2cqb s MET 85 Cb 0.10 -4.16 0.09 0.00 2.84 0.00 0.00 34.83 33.70 2cqb s MET 85 CO 0.21 -1.19 0.76 0.50 -0.65 0.00 0.00 175.02 174.65 2cqb s ARG 86 N 4.76 0.95 -0.21 4.11 3.52 -1.26 -5.15 118.95 125.67 2cqb s ARG 86 Ca 0.86 0.17 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 2cqb s ARG 86 Cb -0.37 0.45 0.05 0.00 -1.56 0.00 0.00 34.95 33.51 2cqb s ARG 86 CO 0.37 -0.31 -0.11 0.96 -0.81 0.00 0.00 175.30 175.40 2cqb s ILE 87 N -1.37 1.79 -0.29 4.11 -4.36 -1.26 -5.08 121.20 114.74 2cqb s ILE 87 Ca -0.08 -1.15 -0.16 0.00 -0.26 0.00 0.00 60.65 59.01 2cqb s ILE 87 Cb -0.00 -1.86 0.15 0.00 1.25 0.00 0.00 42.46 42.00 2cqb s ILE 87 CO 0.06 0.15 0.97 -0.75 0.24 0.00 0.00 174.94 175.61 2cqb s LYS 88 N 1.32 0.37 -1.11 0.37 2.20 -1.26 -5.09 119.74 116.54 2cqb s LYS 88 Ca -0.03 0.67 -0.08 0.00 -0.36 0.00 0.00 55.97 56.18 2cqb s LYS 88 Cb -0.17 0.11 0.28 0.00 -1.51 0.00 0.00 37.83 36.55 2cqb s LYS 88 CO -0.08 -0.08 1.24 -1.91 -0.36 0.00 0.00 175.35 174.16 2cqb n GLU 89 N 3.84 3.81 -4.27 4.03 2.13 -1.26 -5.00 120.64 123.91 2cqb n GLU 89 Ca -0.18 -4.46 -0.29 0.00 0.66 0.00 0.00 57.16 52.89 2cqb n GLU 89 Cb 0.57 -2.56 -0.04 0.00 0.27 0.00 0.00 31.44 29.68 2cqb n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2cqb s SER 90 N 0.46 4.40 0.00 4.31 0.15 -1.26 -5.06 113.70 116.70 2cqb s SER 90 Ca 0.31 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.57 2cqb s SER 90 Cb -0.05 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2cqb s SER 90 CO -0.02 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2cqb n GLY 91 N -1.51 0.12 3.77 9.45 0.00 -1.26 -5.14 105.19 110.63 2cqb n GLY 91 Ca -0.09 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 2cqb n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqb s PRO 92 N 0.00 4.40 0.16 1.61 0.04 -1.26 -5.05 135.00 134.90 2cqb s PRO 92 Ca 0.00 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.16 2cqb s PRO 92 Cb 0.00 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 2cqb s PRO 92 CO 0.00 -0.08 -0.12 0.45 0.04 0.00 0.00 177.00 177.29 2cqb s SER 93 N -0.70 4.15 0.40 6.66 0.15 -1.26 -5.14 113.70 117.96 2cqb s SER 93 Ca 0.49 -0.57 0.05 0.00 0.70 0.00 0.00 55.95 56.62 2cqb s SER 93 Cb -0.36 -0.67 -0.07 0.00 -1.71 0.00 0.00 66.02 63.21 2cqb s SER 93 CO 0.47 0.13 0.02 -0.44 1.20 0.00 0.00 173.24 174.62 2cqb s SER 94 N -2.62 3.53 0.00 5.45 0.01 -1.26 -5.37 113.70 113.45 2cqb s SER 94 Ca 0.23 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.07 2cqb s SER 94 Cb -0.09 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2cqb s SER 94 CO 0.14 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.84