#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 5.84 0.00 1.61 0.15 -1.26 -5.01 113.70 115.03 2cqb s SER -5 Ca 0.00 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2cqb s SER -5 Cb 0.00 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2cqb s SER -5 CO 0.00 0.14 0.94 -1.54 1.20 0.00 0.00 173.24 173.99 2cqb n SER -4 N 0.19 1.84 -4.04 5.45 3.41 -1.26 -4.93 113.62 114.29 2cqb n SER -4 Ca -0.07 -1.89 -0.32 0.00 -0.26 0.00 0.00 58.87 56.33 2cqb n SER -4 Cb 0.52 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.33 2cqb n SER -4 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cqb s GLY -3 N -0.89 2.04 1.03 5.00 0.00 -1.26 -5.10 107.32 108.15 2cqb s GLY -3 Ca 0.00 -2.66 -0.18 0.00 0.00 0.00 0.00 44.72 41.88 2cqb s GLY -3 CO 0.00 0.98 -0.28 1.44 0.00 0.00 0.00 173.10 175.24 2cqb n SER -2 N 4.17 -2.95 -3.87 1.64 7.64 -1.26 -4.95 113.62 114.03 2cqb n SER -2 Ca 0.03 0.07 -0.30 0.00 1.01 0.00 0.00 58.87 59.68 2cqb n SER -2 Cb 0.40 -0.92 0.24 0.00 -1.01 0.00 0.00 64.21 62.93 2cqb n SER -2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cqb s SER -1 N -1.62 0.76 0.00 6.43 1.04 -1.26 -4.99 113.70 114.07 2cqb s SER -1 Ca 0.50 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.69 2cqb s SER -1 Cb -0.11 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.93 2cqb s SER -1 CO 0.69 -4.23 0.00 0.61 0.98 0.00 0.00 173.24 171.29 2cqb n GLY 0 N -0.53 1.96 3.39 7.32 0.00 -1.26 -5.12 105.19 110.94 2cqb n GLY 0 Ca 0.12 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 2cqb n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cqb s MET 1 N -1.81 3.10 0.17 1.61 0.00 -1.26 -4.99 119.30 116.12 2cqb s MET 1 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 55.69 54.98 2cqb s MET 1 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 34.83 32.30 2cqb s MET 1 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 175.02 175.35 2cqb n ALA 2 N 3.17 3.00 -1.77 3.16 0.00 -1.26 -5.09 120.51 121.72 2cqb n ALA 2 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 2cqb n ALA 2 Cb 0.53 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 2cqb n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2cqb s THR 3 N -1.77 3.22 -0.80 0.00 -4.23 -1.26 -4.84 115.64 105.96 2cqb s THR 3 Ca 0.00 0.94 -0.31 0.00 -1.18 0.00 0.00 61.69 61.14 2cqb s THR 3 Cb 0.00 -3.48 -0.17 0.00 1.34 0.00 0.00 72.50 70.18 2cqb s THR 3 CO 0.00 0.01 2.57 0.41 -0.54 0.00 0.00 174.62 177.07 2cqb n THR 4 N -0.31 -0.01 -1.29 3.99 -1.04 -1.26 -4.75 114.28 109.60 2cqb n THR 4 Ca 0.06 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 2cqb n THR 4 Cb 0.48 -1.20 0.20 0.00 -1.82 0.00 0.00 70.33 68.00 2cqb n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2cqb n LYS 5 N 8.57 2.27 -0.12 -2.82 5.02 -1.26 -4.50 118.16 125.32 2cqb n LYS 5 Ca 0.56 -3.08 -0.26 0.00 -2.02 0.00 0.00 58.31 53.51 2cqb n LYS 5 Cb 0.18 -2.03 -0.11 0.00 -0.02 0.00 0.00 35.03 33.05 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 -1.01 0.59 -2.67 1.97 1.74 -1.26 -4.47 116.66 111.55 2cqb n ARG 6 Ca 0.46 0.40 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 2cqb n ARG 6 Cb 1.37 -1.61 -0.02 0.00 -1.02 0.00 0.00 32.46 31.18 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 -2.45 4.56 -0.05 1.55 1.01 -1.26 -2.91 120.40 120.84 2cqb s VAL 7 Ca -0.34 1.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.34 2cqb s VAL 7 Cb 0.10 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2cqb s VAL 7 CO 0.55 -0.42 0.16 -0.76 0.00 0.00 0.00 175.10 174.64 2cqb s LEU 8 N 3.53 4.36 -0.12 3.92 1.43 -0.22 -2.87 118.68 128.71 2cqb s LEU 8 Ca 0.44 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.85 2cqb s LEU 8 Cb -0.13 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 2cqb s LEU 8 CO 0.14 0.32 0.17 -0.47 0.23 0.00 0.00 176.35 176.73 2cqb s TYR 9 N -1.21 3.59 -0.03 0.29 6.14 0.86 -1.61 117.35 125.38 2cqb s TYR 9 Ca 0.23 0.56 0.06 0.00 0.64 0.00 0.00 57.07 58.56 2cqb s TYR 9 Cb -0.12 -2.00 -0.01 0.00 0.42 0.00 0.00 41.96 40.24 2cqb s TYR 9 CO 0.13 0.68 -0.22 0.08 0.64 0.00 0.00 175.55 176.86 2cqb s VAL 10 N -0.89 1.76 0.21 3.14 1.01 0.00 -1.95 120.40 123.69 2cqb s VAL 10 Ca 0.15 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2cqb s VAL 10 Cb -0.12 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2cqb s VAL 10 CO 0.04 0.50 0.02 -0.83 0.00 0.00 0.00 175.10 174.83 2cqb s GLY 11 N -0.31 1.46 -1.21 4.51 0.00 0.11 -1.86 107.32 110.02 2cqb s GLY 11 Ca 0.03 -1.72 -0.07 0.00 0.00 0.00 0.00 44.72 42.96 2cqb s GLY 11 CO 0.01 -1.59 1.06 0.61 0.00 0.00 0.00 173.10 173.18 2cqb n GLY 12 N -0.36 -0.39 3.88 0.20 0.00 0.33 -0.83 105.19 108.03 2cqb n GLY 12 Ca -0.05 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2cqb n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cqb s LEU 13 N -6.62 4.02 0.59 0.99 1.43 -0.37 -4.15 118.68 114.56 2cqb s LEU 13 Ca 0.48 0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 54.36 2cqb s LEU 13 Cb -0.21 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 2cqb s LEU 13 CO 0.66 -0.22 1.09 0.00 0.23 0.00 0.00 176.35 178.10 2cqb s ALA 14 N -2.09 2.66 -1.08 4.21 0.00 -1.26 -4.24 121.76 119.96 2cqb s ALA 14 Ca 0.48 0.59 0.08 0.00 0.00 0.00 0.00 51.96 53.11 2cqb s ALA 14 Cb -0.11 -3.30 0.36 0.00 0.00 0.00 0.00 23.12 20.08 2cqb s ALA 14 CO 0.27 -0.87 1.24 -0.85 0.00 0.00 0.00 175.76 175.54 2cqb n GLU 15 N -1.81 0.02 -0.03 0.00 0.28 -1.26 -1.47 120.64 116.37 2cqb n GLU 15 Ca 0.10 0.33 0.06 0.00 -0.16 0.00 0.00 57.16 57.49 2cqb n GLU 15 Cb 0.52 -1.50 -0.16 0.00 1.43 0.00 0.00 31.44 31.73 2cqb n GLU 15 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2cqb n GLU 16 N -1.46 0.68 -2.14 3.44 4.07 -1.26 -4.93 120.64 119.04 2cqb n GLU 16 Ca 0.02 -0.15 -0.42 0.00 -0.06 0.00 0.00 57.16 56.55 2cqb n GLU 16 Cb 0.09 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 29.95 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2cqb s VAL 17 N -3.23 3.64 0.37 6.31 1.01 -0.54 -4.92 120.40 123.04 2cqb s VAL 17 Ca -0.08 0.95 0.05 0.00 0.00 0.00 0.00 61.98 62.89 2cqb s VAL 17 Cb 0.12 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2cqb s VAL 17 CO 0.85 -0.04 0.18 1.51 0.00 0.00 0.00 175.10 177.60 2cqb s ASP 18 N 2.40 2.24 0.43 3.32 -4.77 -1.26 -4.81 116.67 114.22 2cqb s ASP 18 Ca 0.67 -1.68 0.28 0.00 -3.30 0.00 0.00 52.55 48.52 2cqb s ASP 18 Cb -0.32 0.50 1.38 0.00 -1.09 0.00 0.00 42.92 43.40 2cqb s ASP 18 CO 0.27 -0.96 1.63 -2.24 0.70 0.00 0.00 175.17 174.57 2cqb h ASP 19 N 1.97 0.27 -0.33 2.11 3.04 -1.96 0.87 116.42 122.39 2cqb h ASP 19 Ca -0.32 0.14 -0.07 0.00 -3.24 0.00 0.00 57.03 53.54 2cqb h ASP 19 Cb 1.26 0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 39.66 2cqb h ASP 19 CO 0.50 -0.17 -0.06 0.07 -2.04 0.00 0.00 179.24 177.54 2cqb h LYS 20 N 0.11 0.62 -0.25 4.15 2.10 -1.97 0.23 116.57 121.56 2cqb h LYS 20 Ca 0.80 -0.23 -0.11 0.00 -2.00 0.00 0.00 60.65 59.11 2cqb h LYS 20 Cb 2.44 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 33.73 2cqb h LYS 20 CO -0.43 0.79 -0.29 0.28 -2.00 0.00 0.00 179.45 177.80 2cqb h VAL 21 N 0.40 1.31 -0.42 0.07 2.07 0.24 -2.34 116.25 117.58 2cqb h VAL 21 Ca 0.08 -1.46 -0.13 0.00 0.82 0.00 0.00 66.70 66.01 2cqb h VAL 21 Cb 0.55 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2cqb h VAL 21 CO 0.03 0.46 -0.26 -0.07 0.02 0.00 0.00 177.57 177.75 2cqb h LEU 22 N 0.36 0.91 -0.18 2.57 3.38 -0.65 -0.04 115.31 121.65 2cqb h LEU 22 Ca 0.04 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2cqb h LEU 22 Cb 0.86 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2cqb h LEU 22 CO 0.07 1.11 0.09 -0.74 0.09 0.00 0.00 178.44 179.07 2cqb h HIS 23 N 0.76 0.25 0.00 1.13 2.76 -0.53 1.00 115.15 120.51 2cqb h HIS 23 Ca 0.09 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2cqb h HIS 23 Cb 0.81 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.69 2cqb h HIS 23 CO 0.05 0.26 -0.13 0.00 -1.30 0.00 0.00 177.93 176.81 2cqb h ALA 24 N 0.97 0.97 0.00 5.26 0.00 -1.39 0.11 119.26 125.18 2cqb h ALA 24 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2cqb h ALA 24 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2cqb h ALA 24 CO -0.01 0.16 -0.45 0.00 0.00 0.00 0.00 179.25 178.95 2cqb h ALA 25 N 1.87 0.71 -0.01 0.00 0.00 -0.54 -3.31 119.26 117.98 2cqb h ALA 25 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cqb h ALA 25 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2cqb h ALA 25 CO 0.02 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.46 2cqb n PHE 26 N -2.26 0.01 0.15 0.00 3.01 0.30 -4.63 117.46 114.04 2cqb n PHE 26 Ca 0.04 -0.04 0.06 0.00 1.01 0.00 0.00 57.45 58.52 2cqb n PHE 26 Cb 0.45 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.47 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 0.60 1.04 0.64 4.37 6.09 -0.86 -2.98 117.51 126.40 2cqb h ILE 27 Ca 0.00 -0.08 -0.03 0.00 -1.37 0.00 0.00 64.86 63.38 2cqb h ILE 27 Cb 0.16 0.78 0.00 0.00 0.47 0.00 0.00 36.82 38.24 2cqb h ILE 27 CO 0.00 0.04 -0.33 -0.65 -3.07 0.00 0.00 178.15 174.14 2cqb h PRO 28 N 0.23 -0.86 0.00 2.19 0.11 -1.82 -3.31 132.00 128.54 2cqb h PRO 28 Ca 0.07 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2cqb h PRO 28 Cb -0.01 0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2cqb h PRO 28 CO -0.01 -0.58 0.00 1.19 -0.21 0.00 0.00 178.00 178.39 2cqb n PHE 29 N -5.48 0.00 -0.98 0.65 3.72 -1.13 -4.92 117.46 109.32 2cqb n PHE 29 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2cqb n PHE 29 Cb 0.37 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.97 5.17 3.21 1.37 0.00 -1.24 -5.03 105.19 107.70 2cqb n GLY 30 Ca 0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 2cqb n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqb s ASP 31 N 1.20 5.81 -0.71 1.61 1.01 -1.26 -4.59 116.67 119.73 2cqb s ASP 31 Ca 0.00 -2.19 -0.26 0.00 0.71 0.00 0.00 52.55 50.81 2cqb s ASP 31 Cb 0.00 -2.02 -0.10 0.00 1.01 0.00 0.00 42.92 41.80 2cqb s ASP 31 CO 0.00 -0.63 2.34 -0.63 0.21 0.00 0.00 175.17 176.46 2cqb s ILE 32 N 0.95 3.07 0.25 0.77 1.01 -1.26 -3.05 121.20 122.94 2cqb s ILE 32 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 2cqb s ILE 32 Cb -0.23 -3.17 0.23 0.00 0.01 0.00 0.00 42.46 39.30 2cqb s ILE 32 CO -0.02 -0.16 1.78 0.71 0.00 0.00 0.00 174.94 177.25 2cqb h THR 33 N 7.61 0.81 -2.48 2.92 1.35 -1.90 -3.45 112.91 117.76 2cqb h THR 33 Ca -0.07 -0.24 0.12 0.00 -0.55 0.00 0.00 66.41 65.67 2cqb h THR 33 Cb 1.09 0.06 -0.10 0.00 -1.73 0.00 0.00 68.15 67.46 2cqb h THR 33 CO 1.08 0.13 0.43 -0.62 -0.25 0.00 0.00 175.52 176.28 2cqb s ASP 34 N -5.50 -0.29 0.02 5.36 -1.08 -1.26 -5.08 116.67 108.85 2cqb s ASP 34 Ca -0.12 -0.27 0.01 0.00 -0.52 0.00 0.00 52.55 51.65 2cqb s ASP 34 Cb 0.20 0.50 -0.02 0.00 -1.46 0.00 0.00 42.92 42.15 2cqb s ASP 34 CO 0.78 -0.88 -0.04 -0.63 0.52 0.00 0.00 175.17 174.92 2cqb s ILE 35 N -3.37 0.22 -0.14 4.11 1.01 -1.26 -1.74 121.20 120.04 2cqb s ILE 35 Ca 0.09 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2cqb s ILE 35 Cb -0.02 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.13 2cqb s ILE 35 CO -0.02 -0.42 -0.19 -1.10 0.00 0.00 0.00 174.94 173.20 2cqb s GLN 36 N -1.37 2.73 -0.23 2.79 1.11 0.11 -5.02 119.66 119.78 2cqb s GLN 36 Ca -0.13 -0.75 -0.01 0.00 0.01 0.00 0.00 55.36 54.48 2cqb s GLN 36 Cb -0.09 -2.27 0.02 0.00 -1.01 0.00 0.00 33.01 29.66 2cqb s GLN 36 CO -0.01 -0.07 -0.09 0.42 0.01 0.00 0.00 175.29 175.55 2cqb s ILE 37 N 0.98 2.70 -0.14 1.08 -1.09 -1.26 -1.19 121.20 122.28 2cqb s ILE 37 Ca -0.04 -1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 57.08 2cqb s ILE 37 Cb -0.15 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 2cqb s ILE 37 CO -0.04 0.27 1.55 -2.16 -1.23 0.00 0.00 174.94 173.33 2cqb s PRO 38 N 1.31 4.05 0.26 2.79 0.04 -1.26 -5.01 135.00 137.18 2cqb s PRO 38 Ca 0.01 1.87 0.06 0.00 0.04 0.00 0.00 61.00 62.98 2cqb s PRO 38 Cb -0.16 -3.96 -0.06 0.00 0.04 0.00 0.00 34.50 30.37 2cqb s PRO 38 CO -0.06 -0.98 -0.04 -0.51 0.04 0.00 0.00 177.00 175.44 2cqb s LEU 39 N 4.36 2.40 0.00 -3.56 1.43 -1.26 -3.91 118.68 118.13 2cqb s LEU 39 Ca 0.69 -1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 2cqb s LEU 39 Cb -0.28 -0.52 0.17 0.00 0.03 0.00 0.00 46.19 45.60 2cqb s LEU 39 CO 0.26 -0.39 1.12 0.47 0.23 0.00 0.00 176.35 178.04 2cqb n ASP 40 N -0.52 0.89 -0.05 2.29 8.00 -1.26 -4.84 116.55 121.06 2cqb n ASP 40 Ca -0.05 -1.89 0.01 0.00 0.71 0.00 0.00 54.79 53.56 2cqb n ASP 40 Cb 0.63 -0.78 -0.16 0.00 -0.02 0.00 0.00 41.12 40.79 2cqb n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cqb n TYR 41 N -3.22 0.03 -0.13 1.24 4.11 -1.26 -2.80 117.16 115.13 2cqb n TYR 41 Ca 0.17 0.01 -0.17 0.00 -0.00 0.00 0.00 57.90 57.90 2cqb n TYR 41 Cb 0.59 -0.76 -0.12 0.00 -0.00 0.00 0.00 39.34 39.04 2cqb n TYR 41 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2cqb n GLU 42 N -2.52 0.65 -0.09 -3.48 -0.58 -1.26 -4.67 120.64 108.69 2cqb n GLU 42 Ca -0.18 0.13 -0.11 0.00 -0.42 0.00 0.00 57.16 56.58 2cqb n GLU 42 Cb 0.86 -1.52 -0.12 0.00 -0.57 0.00 0.00 31.44 30.10 2cqb n GLU 42 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2cqb n THR 43 N -3.21 1.16 -2.88 2.62 -2.24 -1.26 -5.00 114.28 103.47 2cqb n THR 43 Ca -0.45 -0.60 -0.22 0.00 -2.27 0.00 0.00 64.05 60.52 2cqb n THR 43 Cb 1.01 -0.85 0.02 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.82 -3.89 -5.11 -0.78 1.02 -1.12 -4.83 120.64 103.10 2cqb n GLU 44 Ca -0.31 0.88 -0.32 0.00 -0.02 0.00 0.00 57.16 57.39 2cqb n GLU 44 Cb 0.98 -5.68 -0.15 0.00 -0.02 0.00 0.00 31.44 26.57 2cqb n GLU 44 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2cqb s LYS 45 N -5.55 2.52 0.36 3.49 -2.85 -1.26 -4.45 119.74 112.00 2cqb s LYS 45 Ca 0.23 -0.83 -0.25 0.00 -1.00 0.00 0.00 55.97 54.12 2cqb s LYS 45 Cb -0.10 -2.25 -0.10 0.00 -2.06 0.00 0.00 37.83 33.32 2cqb s LYS 45 CO 0.28 0.48 0.96 -3.38 0.10 0.00 0.00 175.35 173.79 2cqb s HIS 46 N -0.38 3.55 -0.00 1.78 -3.43 -1.25 -4.09 115.29 111.46 2cqb s HIS 46 Ca 0.03 1.72 -0.14 0.00 -0.80 0.00 0.00 55.06 55.88 2cqb s HIS 46 Cb -0.12 -2.93 -0.34 0.00 -1.43 0.00 0.00 32.58 27.76 2cqb s HIS 46 CO 0.02 0.03 0.86 -0.09 -2.00 0.00 0.00 174.74 173.55 2cqb h ARG 47 N 2.78 0.48 0.00 -0.38 1.12 -1.94 -3.46 114.38 112.98 2cqb h ARG 47 Ca -0.47 -0.82 0.00 0.00 -1.11 0.00 0.00 59.98 57.57 2cqb h ARG 47 Cb 1.19 0.31 0.00 0.00 -0.01 0.00 0.00 29.97 31.46 2cqb h ARG 47 CO 0.64 1.39 0.00 0.41 -3.11 0.00 0.00 179.97 179.30 2cqb n GLY 48 N 1.78 -0.23 3.50 2.80 0.00 -1.26 -4.69 105.19 107.10 2cqb n GLY 48 Ca -0.20 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.37 0.10 1.61 -0.71 -1.26 -0.51 117.98 116.83 2cqb s PHE 49 Ca 0.00 0.27 -0.23 0.00 -1.04 0.00 0.00 56.93 55.93 2cqb s PHE 49 Cb 0.00 0.53 0.08 0.00 -1.21 0.00 0.00 43.02 42.42 2cqb s PHE 49 CO 0.00 -0.56 1.07 0.00 -1.34 0.00 0.00 175.22 174.39 2cqb n ALA 50 N -0.17 -2.88 -3.12 1.99 0.00 -0.78 -4.36 120.51 111.19 2cqb n ALA 50 Ca -0.10 -0.89 -0.22 0.00 0.00 0.00 0.00 53.44 52.23 2cqb n ALA 50 Cb 0.62 0.39 -0.16 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.21 1.17 -0.07 0.00 0.40 -0.33 -0.82 117.98 116.11 2cqb s PHE 51 Ca 0.24 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.29 2cqb s PHE 51 Cb -0.02 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 2cqb s PHE 51 CO 0.03 -0.15 -0.24 0.08 0.70 0.00 0.00 175.22 175.64 2cqb s VAL 52 N 0.30 2.04 0.13 -0.44 1.01 -0.63 -0.71 120.40 122.10 2cqb s VAL 52 Ca -0.06 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 60.78 2cqb s VAL 52 Cb -0.11 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 2cqb s VAL 52 CO 0.01 0.56 0.45 -1.61 0.00 0.00 0.00 175.10 174.52 2cqb s GLU 53 N 0.04 3.78 -0.04 2.72 2.02 -0.71 -1.06 118.70 125.45 2cqb s GLU 53 Ca -0.10 0.21 0.07 0.00 0.02 0.00 0.00 54.97 55.17 2cqb s GLU 53 Cb -0.15 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 2cqb s GLU 53 CO 0.06 0.48 -0.25 -0.06 0.02 0.00 0.00 175.26 175.52 2cqb s PHE 54 N -1.53 2.41 0.39 1.61 0.40 -1.15 -3.75 117.98 116.37 2cqb s PHE 54 Ca 0.38 -0.57 0.16 0.00 -0.60 0.00 0.00 56.93 56.31 2cqb s PHE 54 Cb -0.13 -1.56 1.05 0.00 0.51 0.00 0.00 43.02 42.88 2cqb s PHE 54 CO 0.20 -0.12 1.81 1.49 0.70 0.00 0.00 175.22 179.30 2cqb h GLU 55 N 5.78 0.44 -4.95 0.44 4.81 -1.90 -3.43 114.58 115.76 2cqb h GLU 55 Ca -0.37 -0.03 -0.44 0.00 -0.13 0.00 0.00 59.36 58.39 2cqb h GLU 55 Cb 1.15 -0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.29 2cqb h GLU 55 CO 0.47 0.29 -0.56 -0.51 -0.73 0.00 0.00 179.01 177.97 2cqb s LEU 56 N -9.63 1.79 -0.11 1.64 1.43 -1.26 -5.09 118.68 107.44 2cqb s LEU 56 Ca -0.09 -1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 51.38 2cqb s LEU 56 Cb 0.24 0.05 -0.09 0.00 0.03 0.00 0.00 46.19 46.42 2cqb s LEU 56 CO 0.79 -0.84 0.29 0.00 0.23 0.00 0.00 176.35 176.82 2cqb h ALA 57 N 2.15 -0.02 -0.63 4.21 0.00 -1.83 -3.28 119.26 119.84 2cqb h ALA 57 Ca -0.35 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2cqb h ALA 57 Cb 1.25 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 2cqb h ALA 57 CO 0.56 -0.03 -0.38 0.93 0.00 0.00 0.00 179.25 180.34 2cqb h GLU 58 N -1.00 -0.01 -0.85 0.00 4.39 -1.99 0.22 114.58 115.35 2cqb h GLU 58 Ca -0.00 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.88 2cqb h GLU 58 Cb 0.34 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.83 2cqb h GLU 58 CO 0.00 -0.00 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.26 2cqb h ASP 59 N -0.01 -0.69 -0.09 1.42 3.32 -1.96 0.41 116.42 118.82 2cqb h ASP 59 Ca 0.10 0.25 0.04 0.00 0.02 0.00 0.00 57.03 57.44 2cqb h ASP 59 Cb 0.27 0.49 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 2cqb h ASP 59 CO -0.60 -0.27 -0.31 0.00 -1.72 0.00 0.00 179.24 176.34 2cqb h ALA 60 N 1.84 -0.39 -0.78 3.45 0.00 -0.66 -1.10 119.26 121.62 2cqb h ALA 60 Ca 0.43 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.50 2cqb h ALA 60 Cb 0.70 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 2cqb h ALA 60 CO -0.85 -0.80 0.32 0.00 0.00 0.00 0.00 179.25 177.93 2cqb h ALA 61 N 0.39 1.12 -0.71 0.00 0.00 -0.01 -0.26 119.26 119.80 2cqb h ALA 61 Ca 0.08 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2cqb h ALA 61 Cb 0.54 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2cqb h ALA 61 CO -0.32 -0.22 0.44 0.00 0.00 0.00 0.00 179.25 179.15 2cqb h ALA 62 N 1.57 0.91 -0.78 0.00 0.00 -0.50 -2.30 119.26 118.16 2cqb h ALA 62 Ca 0.44 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.32 2cqb h ALA 62 Cb 0.69 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2cqb h ALA 62 CO -0.42 0.36 0.48 0.00 0.00 0.00 0.00 179.25 179.67 2cqb h ALA 63 N 1.23 1.04 0.55 0.00 0.00 0.13 -2.61 119.26 119.60 2cqb h ALA 63 Ca 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2cqb h ALA 63 Cb -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.51 2cqb h ALA 63 CO -0.05 0.25 -0.27 0.82 0.00 0.00 0.00 179.25 180.01 2cqb h ILE 64 N 0.92 0.43 -0.75 0.00 2.04 -0.99 0.95 117.51 120.10 2cqb h ILE 64 Ca 0.32 -0.16 0.22 0.00 1.00 0.00 0.00 64.86 66.24 2cqb h ILE 64 Cb 0.08 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2cqb h ILE 64 CO -0.14 0.03 0.73 -0.78 0.00 0.00 0.00 178.15 177.99 2cqb h ASP 65 N -0.85 0.00 0.00 1.72 3.58 -1.25 0.22 116.42 119.84 2cqb h ASP 65 Ca -0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2cqb h ASP 65 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2cqb h ASP 65 CO 0.12 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.07 2cqb n ASN 66 N -3.70 0.00 -0.43 2.28 3.02 -0.92 -4.51 115.26 110.99 2cqb n ASN 66 Ca 0.16 0.03 0.37 0.00 -0.03 0.00 0.00 54.58 55.11 2cqb n ASN 66 Cb 0.99 -0.27 0.64 0.00 -0.61 0.00 0.00 39.78 40.53 2cqb n ASN 66 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2cqb n MET 67 N -1.96 -0.04 -1.65 3.52 2.81 0.32 -4.38 117.12 115.75 2cqb n MET 67 Ca 0.00 1.23 -0.60 0.00 -1.81 0.00 0.00 57.70 56.52 2cqb n MET 67 Cb 0.00 -2.38 -0.08 0.00 -0.71 0.00 0.00 33.22 30.05 2cqb n MET 67 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2cqb n ASN 68 N -4.74 1.88 -3.68 7.83 2.85 0.77 0.21 115.26 120.38 2cqb n ASN 68 Ca 0.38 1.00 -0.24 0.00 -0.11 0.00 0.00 54.58 55.61 2cqb n ASN 68 Cb 1.46 -1.06 0.06 0.00 1.24 0.00 0.00 39.78 41.48 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 5.53 -6.48 -2.19 1.20 1.02 -0.93 -4.91 120.64 113.88 2cqb n GLU 69 Ca 0.32 0.73 -0.18 0.00 -0.02 0.00 0.00 57.16 58.01 2cqb n GLU 69 Cb 0.07 -5.64 0.09 0.00 -0.02 0.00 0.00 31.44 25.94 2cqb n GLU 69 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2cqb n SER 70 N -2.99 1.11 -4.22 1.62 7.64 0.13 -4.86 113.62 112.04 2cqb n SER 70 Ca -0.09 -1.92 -0.34 0.00 1.01 0.00 0.00 58.87 57.52 2cqb n SER 70 Cb 0.59 -0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 63.14 2cqb n SER 70 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2cqb s GLU 71 N -4.54 3.02 -0.06 1.43 2.12 -1.26 -2.18 118.70 117.24 2cqb s GLU 71 Ca 0.53 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 2cqb s GLU 71 Cb -0.03 -2.94 0.03 0.00 0.26 0.00 0.00 34.13 31.44 2cqb s GLU 71 CO 0.35 -0.32 0.02 -1.17 -0.54 0.00 0.00 175.26 173.60 2cqb s LEU 72 N 1.37 0.52 -1.14 2.70 2.96 0.62 -4.84 118.68 120.88 2cqb s LEU 72 Ca 0.03 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2cqb s LEU 72 Cb -0.15 -0.33 0.01 0.00 0.50 0.00 0.00 46.19 46.21 2cqb s LEU 72 CO -0.05 -0.20 0.98 0.49 -1.32 0.00 0.00 176.35 176.25 2cqb n PHE 73 N 5.08 -2.31 -2.57 5.38 3.01 -1.26 -2.25 117.46 122.54 2cqb n PHE 73 Ca -0.08 0.86 -0.21 0.00 1.01 0.00 0.00 57.45 59.04 2cqb n PHE 73 Cb 0.50 -4.58 0.00 0.00 -0.01 0.00 0.00 39.48 35.39 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 -1.58 -0.46 3.34 1.37 0.00 -1.26 -4.97 105.19 101.62 2cqb n GLY 74 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2cqb n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cqb s ARG 75 N -5.21 1.27 -0.30 1.61 0.52 -0.95 -5.14 118.95 110.74 2cqb s ARG 75 Ca 0.09 -1.40 -0.09 0.00 -0.52 0.00 0.00 55.73 53.82 2cqb s ARG 75 Cb -0.04 0.35 -0.00 0.00 0.52 0.00 0.00 34.95 35.78 2cqb s ARG 75 CO 0.11 -0.46 0.12 0.99 0.02 0.00 0.00 175.30 176.09 2cqb s THR 76 N -4.06 4.35 0.13 0.02 2.01 -1.26 -0.27 115.64 116.56 2cqb s THR 76 Ca 0.28 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.78 2cqb s THR 76 Cb 0.04 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2cqb s THR 76 CO 0.07 0.07 0.21 0.27 -0.69 0.00 0.00 174.62 174.56 2cqb s ILE 77 N 1.57 5.01 -0.01 1.82 -4.36 -0.93 -4.71 121.20 119.60 2cqb s ILE 77 Ca 0.04 -0.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.67 2cqb s ILE 77 Cb -0.17 -3.54 -0.04 0.00 1.25 0.00 0.00 42.46 39.97 2cqb s ILE 77 CO 0.05 -0.04 -0.00 -0.60 0.24 0.00 0.00 174.94 174.58 2cqb s ARG 78 N -3.01 2.79 -0.02 0.37 6.06 -0.01 -2.18 118.95 122.96 2cqb s ARG 78 Ca 0.33 -0.60 0.02 0.00 -2.50 0.00 0.00 55.73 52.97 2cqb s ARG 78 Cb -0.11 -2.67 0.01 0.00 0.06 0.00 0.00 34.95 32.24 2cqb s ARG 78 CO 0.26 0.63 -0.05 0.08 -2.50 0.00 0.00 175.30 173.72 2cqb s VAL 79 N -1.07 0.47 0.00 7.11 1.01 -1.26 0.05 120.40 126.71 2cqb s VAL 79 Ca 0.19 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2cqb s VAL 79 Cb -0.11 -0.44 0.10 0.00 0.00 0.00 0.00 36.38 35.93 2cqb s VAL 79 CO 0.10 0.16 1.08 0.21 0.00 0.00 0.00 175.10 176.64 2cqb s ASN 80 N 0.29 -0.19 0.26 3.32 3.84 -0.82 -4.58 114.94 117.06 2cqb s ASN 80 Ca -0.03 -0.15 -0.30 0.00 0.21 0.00 0.00 52.86 52.58 2cqb s ASN 80 Cb -0.07 0.31 -0.14 0.00 -0.55 0.00 0.00 41.25 40.80 2cqb s ASN 80 CO -0.00 -0.54 1.24 0.18 -2.79 0.00 0.00 177.10 175.19 2cqb n LEU 81 N -0.34 2.54 -4.74 3.21 4.77 -1.26 -0.10 117.00 121.08 2cqb n LEU 81 Ca -0.06 1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 56.66 2cqb n LEU 81 Cb 0.61 -1.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 2cqb n LEU 81 CO 0.11 -0.87 1.28 0.00 -1.33 0.00 0.00 177.39 176.58 2cqb n ALA 82 N 1.14 2.62 -1.76 -1.18 0.00 -1.14 -4.63 120.51 115.56 2cqb n ALA 82 Ca 0.11 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.54 2cqb n ALA 82 Cb 0.31 -2.48 0.02 0.00 0.00 0.00 0.00 19.45 17.30 2cqb n ALA 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2cqb s LYS 83 N -0.06 3.54 -0.35 0.00 -2.85 -1.26 -4.92 119.74 113.85 2cqb s LYS 83 Ca 0.67 2.13 -0.28 0.00 -1.00 0.00 0.00 55.97 57.49 2cqb s LYS 83 Cb -0.50 -2.45 -0.01 0.00 -2.06 0.00 0.00 37.83 32.80 2cqb s LYS 83 CO 0.44 -0.84 1.70 -1.25 0.10 0.00 0.00 175.35 175.50 2cqb s PRO 84 N -2.65 3.41 -0.47 1.78 0.04 -1.26 -4.97 135.00 130.88 2cqb s PRO 84 Ca 0.65 1.31 -0.23 0.00 0.04 0.00 0.00 61.00 62.78 2cqb s PRO 84 Cb -0.38 -4.15 0.03 0.00 0.04 0.00 0.00 34.50 30.05 2cqb s PRO 84 CO 0.46 -1.77 0.78 1.41 0.04 0.00 0.00 177.00 177.92 2cqb s MET 85 N 5.45 3.35 -0.21 4.56 1.75 -1.26 -5.00 119.30 127.94 2cqb s MET 85 Ca 0.75 -0.24 -0.13 0.00 -1.25 0.00 0.00 55.69 54.82 2cqb s MET 85 Cb -0.20 -3.98 0.06 0.00 2.84 0.00 0.00 34.83 33.56 2cqb s MET 85 CO 0.34 -1.18 0.51 0.50 -0.65 0.00 0.00 175.02 174.54 2cqb s ARG 86 N 3.28 0.52 -0.27 4.11 3.52 -1.26 -5.04 118.95 123.80 2cqb s ARG 86 Ca 0.28 0.91 0.09 0.00 -0.13 0.00 0.00 55.73 56.87 2cqb s ARG 86 Cb -0.13 0.08 0.46 0.00 -1.56 0.00 0.00 34.95 33.79 2cqb s ARG 86 CO 0.21 -0.14 1.31 0.44 -0.81 0.00 0.00 175.30 176.31 2cqb n ILE 87 N 4.03 2.45 -4.13 4.11 -5.35 -1.26 -4.99 119.36 114.21 2cqb n ILE 87 Ca -0.21 -3.36 -0.17 0.00 -0.27 0.00 0.00 62.75 58.74 2cqb n ILE 87 Cb 0.57 -0.54 -0.15 0.00 -1.74 0.00 0.00 39.64 37.78 2cqb n ILE 87 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2cqb s LYS 88 N -3.36 0.49 -0.30 6.28 2.20 -1.26 -5.12 119.74 118.67 2cqb s LYS 88 Ca 0.44 -0.13 -0.13 0.00 -0.36 0.00 0.00 55.97 55.79 2cqb s LYS 88 Cb 0.40 -0.51 0.18 0.00 -1.51 0.00 0.00 37.83 36.38 2cqb s LYS 88 CO -0.02 0.04 1.02 -2.00 -0.36 0.00 0.00 175.35 174.03 2cqb s GLU 89 N 0.25 0.22 0.03 4.03 2.12 -1.26 -5.18 118.70 118.92 2cqb s GLU 89 Ca -0.03 0.43 -0.00 0.00 0.36 0.00 0.00 54.97 55.73 2cqb s GLU 89 Cb -0.06 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 2cqb s GLU 89 CO -0.00 -0.21 -0.03 -1.54 -0.54 0.00 0.00 175.26 172.94 2cqb s SER 90 N 2.82 0.36 0.00 -1.70 1.04 -1.26 -5.11 113.70 109.86 2cqb s SER 90 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2cqb s SER 90 Cb -0.09 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2cqb s SER 90 CO -0.13 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2cqb n GLY 91 N 0.90 -2.06 2.15 7.32 0.00 -1.26 -5.18 105.19 107.06 2cqb n GLY 91 Ca -0.19 1.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.64 2cqb n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqb n PRO 92 N 0.00 -2.32 -3.99 1.61 -0.04 -1.26 -5.03 135.00 123.97 2cqb n PRO 92 Ca 0.00 -1.07 -0.35 0.00 -0.04 0.00 0.00 63.50 62.04 2cqb n PRO 92 Cb 0.00 -1.00 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 2cqb n PRO 92 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cqb s SER 93 N -3.32 5.57 0.08 3.54 0.01 -1.26 -5.09 113.70 113.23 2cqb s SER 93 Ca 0.44 0.04 -0.06 0.00 1.31 0.00 0.00 55.95 57.68 2cqb s SER 93 Cb -0.04 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 2cqb s SER 93 CO 0.33 0.15 0.13 -0.94 0.41 0.00 0.00 173.24 173.32 2cqb s SER 94 N 0.53 0.23 0.00 2.44 1.04 -1.26 -5.38 113.70 111.30 2cqb s SER 94 Ca 0.03 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2cqb s SER 94 Cb -0.13 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2cqb s SER 94 CO 0.01 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.14