#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 4.11 -0.29 1.61 1.04 -1.26 -5.15 113.70 113.76 2cqb s SER -5 Ca 0.00 -1.08 -0.25 0.00 0.48 0.00 0.00 55.95 55.10 2cqb s SER -5 Cb 0.00 -0.48 0.17 0.00 0.10 0.00 0.00 66.02 65.80 2cqb s SER -5 CO 0.00 -0.30 1.29 -0.94 0.98 0.00 0.00 173.24 174.26 2cqb s SER -4 N -3.73 -0.20 0.00 7.02 1.04 -1.26 -5.18 113.70 111.40 2cqb s SER -4 Ca 0.35 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.17 2cqb s SER -4 Cb 0.02 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2cqb s SER -4 CO 0.19 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2cqb n GLY -3 N 1.88 4.54 3.47 7.32 0.00 -1.26 -5.19 105.19 115.95 2cqb n GLY -3 Ca -0.11 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 1.46 -0.48 0.07 1.61 0.15 -1.26 -5.18 113.70 110.06 2cqb s SER -2 Ca 0.00 0.09 0.09 0.00 0.70 0.00 0.00 55.95 56.83 2cqb s SER -2 Cb 0.00 0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 2cqb s SER -2 CO 0.00 -0.75 -0.25 -0.44 1.20 0.00 0.00 173.24 173.00 2cqb s SER -1 N -2.39 2.96 0.00 5.45 0.01 -1.26 -5.14 113.70 113.33 2cqb s SER -1 Ca 0.01 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2cqb s SER -1 Cb -0.01 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2cqb s SER -1 CO -0.08 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2cqb n GLY 0 N 1.56 4.62 3.78 3.44 0.00 -1.26 -5.14 105.19 112.19 2cqb n GLY 0 Ca -0.17 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.65 3.69 0.23 1.61 0.00 -1.26 -5.00 119.30 117.91 2cqb s MET 1 Ca 0.00 1.55 0.09 0.00 0.00 0.00 0.00 55.69 57.33 2cqb s MET 1 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 34.83 32.60 2cqb s MET 1 CO 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 175.02 174.44 2cqb s ALA 2 N -1.78 3.13 0.03 3.16 0.00 -1.26 -5.02 121.76 120.03 2cqb s ALA 2 Ca 0.67 -1.57 0.28 0.00 0.00 0.00 0.00 51.96 51.34 2cqb s ALA 2 Cb -0.22 -0.81 1.01 0.00 0.00 0.00 0.00 23.12 23.09 2cqb s ALA 2 CO 0.26 0.34 1.85 1.79 0.00 0.00 0.00 175.76 180.00 2cqb h THR 3 N 2.14 0.26 -1.82 0.00 1.35 -1.97 -3.41 112.91 109.46 2cqb h THR 3 Ca -0.45 -0.88 -0.16 0.00 -0.55 0.00 0.00 66.41 64.36 2cqb h THR 3 Cb 1.23 1.71 -0.29 0.00 -1.73 0.00 0.00 68.15 69.07 2cqb h THR 3 CO 0.59 0.11 -0.50 -0.89 -0.25 0.00 0.00 175.52 174.58 2cqb s THR 4 N -3.58 -0.62 -0.15 6.82 2.01 -1.26 -5.03 115.64 113.84 2cqb s THR 4 Ca 0.02 -0.16 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 2cqb s THR 4 Cb 0.09 -0.88 -0.22 0.00 0.01 0.00 0.00 72.50 71.50 2cqb s THR 4 CO 0.60 -0.18 3.15 1.17 -0.69 0.00 0.00 174.62 178.67 2cqb n LYS 5 N 5.36 1.88 0.00 4.92 3.00 -1.26 -3.43 118.16 128.64 2cqb n LYS 5 Ca -0.02 -0.98 0.00 0.00 -0.00 0.00 0.00 58.31 57.31 2cqb n LYS 5 Cb 0.50 -2.01 0.00 0.00 0.00 0.00 0.00 35.03 33.52 2cqb n LYS 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2cqb n ARG 6 N 2.70 0.10 -3.05 1.64 5.12 -1.26 -4.18 116.66 117.72 2cqb n ARG 6 Ca 0.40 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.90 2cqb n ARG 6 Cb 0.73 -0.77 -0.06 0.00 -1.16 0.00 0.00 32.46 31.20 2cqb n ARG 6 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2cqb s VAL 7 N -1.54 4.79 0.36 1.55 1.01 -1.22 -2.04 120.40 123.31 2cqb s VAL 7 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 2cqb s VAL 7 Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2cqb s VAL 7 CO 0.00 -0.52 0.60 -0.76 0.00 0.00 0.00 175.10 174.42 2cqb s LEU 8 N 2.94 3.94 -0.18 3.92 1.43 0.55 -2.30 118.68 128.99 2cqb s LEU 8 Ca 0.26 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 2cqb s LEU 8 Cb -0.14 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2cqb s LEU 8 CO 0.18 -0.33 -0.14 -0.47 0.23 0.00 0.00 176.35 175.82 2cqb s TYR 9 N -2.35 2.83 -0.03 0.29 6.14 0.16 -1.48 117.35 122.91 2cqb s TYR 9 Ca 0.42 -1.24 -0.00 0.00 0.64 0.00 0.00 57.07 56.89 2cqb s TYR 9 Cb -0.10 -1.96 -0.04 0.00 0.42 0.00 0.00 41.96 40.28 2cqb s TYR 9 CO 0.37 -0.62 0.03 0.08 0.64 0.00 0.00 175.55 176.04 2cqb s VAL 10 N 1.18 4.40 0.28 3.14 1.01 0.14 -1.55 120.40 129.00 2cqb s VAL 10 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2cqb s VAL 10 Cb -0.14 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2cqb s VAL 10 CO -0.06 0.44 0.32 -0.83 0.00 0.00 0.00 175.10 174.98 2cqb s GLY 11 N -1.39 1.53 -1.56 4.51 0.00 0.11 -1.68 107.32 108.84 2cqb s GLY 11 Ca 0.18 -1.61 -0.04 0.00 0.00 0.00 0.00 44.72 43.25 2cqb s GLY 11 CO 0.09 -1.18 0.48 0.61 0.00 0.00 0.00 173.10 173.09 2cqb n GLY 12 N -0.46 -0.52 3.83 0.20 0.00 -0.23 -1.60 105.19 106.42 2cqb n GLY 12 Ca 0.02 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -6.53 3.77 1.06 0.99 1.43 -0.75 -4.33 118.68 114.32 2cqb s LEU 13 Ca 0.25 1.60 -0.16 0.00 -1.03 0.00 0.00 54.13 54.80 2cqb s LEU 13 Cb -0.11 -4.50 0.22 0.00 0.03 0.00 0.00 46.19 41.83 2cqb s LEU 13 CO 0.31 -0.48 1.13 0.00 0.23 0.00 0.00 176.35 177.55 2cqb s ALA 14 N -2.42 1.10 -1.82 4.21 0.00 -1.26 -4.62 121.76 116.96 2cqb s ALA 14 Ca 0.60 -0.73 0.31 0.00 0.00 0.00 0.00 51.96 52.13 2cqb s ALA 14 Cb -0.10 -2.97 1.61 0.00 0.00 0.00 0.00 23.12 21.67 2cqb s ALA 14 CO 0.23 -3.00 2.08 -0.85 0.00 0.00 0.00 175.76 174.22 2cqb n GLU 15 N -4.29 0.84 -0.29 0.00 0.00 -1.26 -3.12 120.64 112.51 2cqb n GLU 15 Ca 0.10 -0.12 0.09 0.00 0.00 0.00 0.00 57.16 57.22 2cqb n GLU 15 Cb 0.59 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.74 2cqb n GLU 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2cqb n GLU 16 N -0.97 2.34 -4.70 3.44 2.13 -1.26 -5.00 120.64 116.62 2cqb n GLU 16 Ca 0.19 -2.70 -0.34 0.00 0.66 0.00 0.00 57.16 54.98 2cqb n GLU 16 Cb 0.20 -1.69 -0.12 0.00 0.27 0.00 0.00 31.44 30.10 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2cqb s VAL 17 N -2.75 3.52 0.31 6.31 1.01 -1.18 -4.94 120.40 122.67 2cqb s VAL 17 Ca 0.37 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 2cqb s VAL 17 Cb 0.31 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 34.29 2cqb s VAL 17 CO 0.07 0.59 0.65 -1.81 0.00 0.00 0.00 175.10 174.60 2cqb s ASP 18 N -0.80 -0.00 0.27 3.32 1.11 -1.26 -4.91 116.67 114.39 2cqb s ASP 18 Ca 0.12 -0.94 0.11 0.00 0.18 0.00 0.00 52.55 52.02 2cqb s ASP 18 Cb -0.11 0.72 0.87 0.00 1.07 0.00 0.00 42.92 45.48 2cqb s ASP 18 CO 0.01 -1.39 1.20 -0.67 1.18 0.00 0.00 175.17 175.51 2cqb n ASP 19 N -0.82 0.14 0.44 0.27 -0.08 -1.26 0.60 116.55 115.84 2cqb n ASP 19 Ca -0.04 1.28 -0.19 0.00 -1.51 0.00 0.00 54.79 54.32 2cqb n ASP 19 Cb 0.60 -0.57 -0.09 0.00 2.34 0.00 0.00 41.12 43.40 2cqb n ASP 19 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2cqb h LYS 20 N 0.00 -1.07 -0.47 -0.67 1.57 -1.99 0.12 116.57 114.06 2cqb h LYS 20 Ca 0.58 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 2cqb h LYS 20 Cb 1.45 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.98 2cqb h LYS 20 CO -0.63 -0.71 0.30 0.28 -0.57 0.00 0.00 179.45 178.11 2cqb h VAL 21 N -1.11 1.14 0.00 0.50 2.07 -0.21 -1.29 116.25 117.35 2cqb h VAL 21 Ca -0.11 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2cqb h VAL 21 Cb 0.86 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2cqb h VAL 21 CO 0.17 0.14 -0.03 -0.07 0.02 0.00 0.00 177.57 177.79 2cqb h LEU 22 N 0.63 0.00 0.01 2.57 3.38 -0.53 0.30 115.31 121.67 2cqb h LEU 22 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2cqb h LEU 22 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2cqb h LEU 22 CO -0.03 0.03 -0.01 -0.74 0.09 0.00 0.00 178.44 177.78 2cqb h HIS 23 N 0.00 -0.02 0.00 1.13 2.76 0.33 -2.86 115.15 116.50 2cqb h HIS 23 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2cqb h HIS 23 Cb 0.20 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2cqb h HIS 23 CO 0.00 0.11 0.00 0.00 -1.30 0.00 0.00 177.93 176.74 2cqb h ALA 24 N -0.88 1.00 0.00 5.26 0.00 -1.23 0.32 119.26 123.72 2cqb h ALA 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cqb h ALA 24 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2cqb h ALA 24 CO 0.00 0.00 -0.81 0.00 0.00 0.00 0.00 179.25 178.45 2cqb h ALA 25 N 2.14 0.52 -0.01 0.00 0.00 -1.03 -3.34 119.26 117.54 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 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2cqb h ALA 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2cqb n PHE 26 N -2.31 0.01 0.14 0.00 3.01 -0.57 -4.64 117.46 113.09 2cqb n PHE 26 Ca 0.02 -0.03 0.06 0.00 1.01 0.00 0.00 57.45 58.51 2cqb n PHE 26 Cb 0.48 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.50 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 0.43 1.04 0.95 4.37 6.09 -0.54 -3.07 117.51 126.79 2cqb h ILE 27 Ca 0.00 -0.08 -0.05 0.00 -1.37 0.00 0.00 64.86 63.36 2cqb h ILE 27 Cb 0.12 0.78 0.01 0.00 0.47 0.00 0.00 36.82 38.20 2cqb h ILE 27 CO 0.00 0.04 -0.46 -0.65 -3.07 0.00 0.00 178.15 174.02 2cqb h PRO 28 N 0.24 -1.23 0.00 2.19 0.11 -1.82 -3.32 132.00 128.17 2cqb h PRO 28 Ca 0.07 0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2cqb h PRO 28 Cb -0.01 0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2cqb h PRO 28 CO -0.01 -0.82 0.00 1.19 -0.21 0.00 0.00 178.00 178.14 2cqb n PHE 29 N -5.56 0.00 -1.35 0.65 3.72 -1.16 -4.87 117.46 108.89 2cqb n PHE 29 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2cqb n PHE 29 Cb 0.50 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.99 5.50 3.08 1.37 0.00 -1.24 -5.04 105.19 107.87 2cqb n GLY 30 Ca 0.00 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 2cqb n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cqb n ASP 31 N 0.00 4.10 -3.92 1.61 2.03 -1.26 -4.63 116.55 114.49 2cqb n ASP 31 Ca 0.00 -3.15 -0.54 0.00 0.52 0.00 0.00 54.79 51.62 2cqb n ASP 31 Cb 0.00 -1.02 -0.08 0.00 -0.72 0.00 0.00 41.12 39.30 2cqb n ASP 31 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2cqb n ILE 32 N 2.23 0.00 -0.02 5.18 5.41 -1.26 -3.78 119.36 127.12 2cqb n ILE 32 Ca 0.22 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.75 2cqb n ILE 32 Cb 0.37 -0.21 -0.13 0.00 -0.71 0.00 0.00 39.64 38.95 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 3.39 0.76 -2.59 1.39 1.35 -1.62 -3.47 112.91 112.12 2cqb h THR 33 Ca -0.40 -2.31 0.04 0.00 -0.55 0.00 0.00 66.41 63.19 2cqb h THR 33 Cb 1.18 2.45 -0.14 0.00 -1.73 0.00 0.00 68.15 69.92 2cqb h THR 33 CO 0.69 0.71 0.35 1.51 -0.25 0.00 0.00 175.52 178.53 2cqb s ASP 34 N -7.00 -0.47 0.02 5.36 1.47 -1.25 -5.05 116.67 109.74 2cqb s ASP 34 Ca -0.24 0.04 0.01 0.00 1.18 0.00 0.00 52.55 53.55 2cqb s ASP 34 Cb 0.06 0.49 -0.01 0.00 -0.34 0.00 0.00 42.92 43.12 2cqb s ASP 34 CO 0.72 -0.78 -0.05 -0.63 0.68 0.00 0.00 175.17 175.11 2cqb s ILE 35 N -3.28 0.36 -0.08 2.11 1.01 -1.26 -1.11 121.20 118.95 2cqb s ILE 35 Ca 0.02 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.06 2cqb s ILE 35 Cb -0.01 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 42.07 2cqb s ILE 35 CO -0.10 -0.19 -0.18 -1.10 0.00 0.00 0.00 174.94 173.37 2cqb s GLN 36 N -0.90 2.34 -0.15 2.79 1.11 -0.48 -5.03 119.66 119.34 2cqb s GLN 36 Ca -0.06 -0.63 0.02 0.00 0.01 0.00 0.00 55.36 54.70 2cqb s GLN 36 Cb -0.06 -1.83 0.02 0.00 -1.01 0.00 0.00 33.01 30.13 2cqb s GLN 36 CO -0.00 0.10 -0.20 0.42 0.01 0.00 0.00 175.29 175.62 2cqb s ILE 37 N 0.52 1.97 -0.55 1.08 -1.09 -1.26 -1.83 121.20 120.04 2cqb s ILE 37 Ca -0.17 -0.91 -0.27 0.00 -2.23 0.00 0.00 60.65 57.08 2cqb s ILE 37 Cb -0.17 -1.77 -0.02 0.00 -1.58 0.00 0.00 42.46 38.92 2cqb s ILE 37 CO 0.06 0.53 1.83 -2.16 -1.23 0.00 0.00 174.94 173.97 2cqb s PRO 38 N 1.08 2.81 -0.08 2.79 0.04 -1.26 -4.97 135.00 135.41 2cqb s PRO 38 Ca -0.01 0.78 0.05 0.00 0.04 0.00 0.00 61.00 61.85 2cqb s PRO 38 Cb -0.14 -4.33 -0.00 0.00 0.04 0.00 0.00 34.50 30.06 2cqb s PRO 38 CO -0.07 -2.51 -0.22 -0.51 0.04 0.00 0.00 177.00 173.73 2cqb s LEU 39 N 8.48 2.01 0.00 -3.56 1.43 -1.26 -4.13 118.68 121.65 2cqb s LEU 39 Ca 0.69 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 2cqb s LEU 39 Cb -0.14 -1.28 0.17 0.00 0.03 0.00 0.00 46.19 44.97 2cqb s LEU 39 CO 0.24 0.17 0.39 0.47 0.23 0.00 0.00 176.35 177.85 2cqb n ASP 40 N 3.32 -2.77 -0.04 2.29 8.00 -1.26 -4.71 116.55 121.38 2cqb n ASP 40 Ca -0.19 -0.39 0.05 0.00 0.71 0.00 0.00 54.79 54.97 2cqb n ASP 40 Cb 0.53 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 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 -4.17 0.00 -0.01 1.24 0.18 -1.26 -3.32 117.16 109.82 2cqb n TYR 41 Ca 0.06 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.84 2cqb n TYR 41 Cb 0.27 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.22 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 -1.12 3.10 0.00 -3.48 0.28 -1.26 -4.78 120.64 113.38 2cqb n GLU 42 Ca 0.03 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2cqb n GLU 42 Cb 0.19 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.02 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 -1.95 0.00 -3.96 3.84 -2.24 -1.26 -5.01 114.28 103.70 2cqb n THR 43 Ca -0.02 -0.18 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 2cqb n THR 43 Cb 0.45 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 2cqb n THR 43 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2cqb n GLU 44 N -1.24 -1.62 -4.27 -0.78 0.28 -1.21 -4.81 120.64 106.99 2cqb n GLU 44 Ca 0.00 0.15 -0.34 0.00 -0.16 0.00 0.00 57.16 56.80 2cqb n GLU 44 Cb 0.00 -4.73 -0.10 0.00 1.43 0.00 0.00 31.44 28.04 2cqb n GLU 44 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2cqb s LYS 45 N -6.61 3.48 0.40 3.44 1.02 -1.26 -4.49 119.74 115.71 2cqb s LYS 45 Ca 0.61 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 56.17 2cqb s LYS 45 Cb -0.35 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2cqb s LYS 45 CO 0.74 0.45 0.62 -3.38 -0.92 0.00 0.00 175.35 172.86 2cqb s HIS 46 N -0.17 3.43 -0.16 3.18 -3.43 -1.26 -4.07 115.29 112.81 2cqb s HIS 46 Ca 0.05 0.39 -0.07 0.00 -0.80 0.00 0.00 55.06 54.63 2cqb s HIS 46 Cb -0.12 -2.08 -0.23 0.00 -1.43 0.00 0.00 32.58 28.71 2cqb s HIS 46 CO 0.02 -0.08 0.23 -2.13 -2.00 0.00 0.00 174.74 170.78 2cqb n ARG 47 N -1.95 0.72 0.00 -0.38 0.63 -1.26 -4.98 116.66 109.44 2cqb n ARG 47 Ca -0.02 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 2cqb n ARG 47 Cb 0.56 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.80 2cqb n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2cqb n GLY 48 N 1.95 -0.20 3.53 5.14 0.00 -1.26 -4.85 105.19 109.49 2cqb n GLY 48 Ca -0.35 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.32 0.05 1.61 -0.12 -1.26 -1.07 117.98 116.87 2cqb s PHE 49 Ca 0.00 0.16 -0.28 0.00 -0.05 0.00 0.00 56.93 56.76 2cqb s PHE 49 Cb 0.00 0.55 0.10 0.00 -0.63 0.00 0.00 43.02 43.04 2cqb s PHE 49 CO 0.00 -0.58 1.16 0.00 -0.05 0.00 0.00 175.22 175.75 2cqb s ALA 50 N -3.13 -2.00 -0.12 1.99 0.00 -0.67 -4.48 121.76 113.33 2cqb s ALA 50 Ca 0.06 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 2cqb s ALA 50 Cb -0.01 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2cqb s ALA 50 CO -0.08 -1.05 -0.10 -0.06 0.00 0.00 0.00 175.76 174.48 2cqb s PHE 51 N -2.77 2.88 -0.10 0.00 0.40 -0.76 -0.68 117.98 116.95 2cqb s PHE 51 Ca 0.13 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.06 2cqb s PHE 51 Cb 0.02 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 2cqb s PHE 51 CO -0.01 -0.07 -0.19 0.08 0.70 0.00 0.00 175.22 175.73 2cqb s VAL 52 N 0.13 2.57 -0.22 -0.44 1.01 -0.55 -1.38 120.40 121.53 2cqb s VAL 52 Ca -0.05 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 2cqb s VAL 52 Cb -0.14 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2cqb s VAL 52 CO 0.04 0.55 0.13 -0.70 0.00 0.00 0.00 175.10 175.12 2cqb s GLU 53 N 0.12 4.07 0.30 2.72 2.12 -0.27 -0.33 118.70 127.44 2cqb s GLU 53 Ca -0.09 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 54.99 2cqb s GLU 53 Cb -0.16 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 2cqb s GLU 53 CO 0.06 0.17 0.46 -0.06 -0.54 0.00 0.00 175.26 175.34 2cqb s PHE 54 N 0.73 3.42 0.19 5.30 0.40 -0.87 -1.77 117.98 125.39 2cqb s PHE 54 Ca 0.07 0.12 -0.06 0.00 -0.60 0.00 0.00 56.93 56.45 2cqb s PHE 54 Cb -0.13 -1.78 0.11 0.00 0.51 0.00 0.00 43.02 41.74 2cqb s PHE 54 CO 0.02 0.23 1.58 1.49 0.70 0.00 0.00 175.22 179.23 2cqb h GLU 55 N 0.94 0.81 -5.36 0.44 4.81 -1.91 -3.43 114.58 110.88 2cqb h GLU 55 Ca -0.50 -0.37 -0.42 0.00 -0.13 0.00 0.00 59.36 57.94 2cqb h GLU 55 Cb 1.23 -0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.45 2cqb h GLU 55 CO 0.60 1.00 -0.70 -0.51 -0.73 0.00 0.00 179.01 178.67 2cqb s LEU 56 N -8.86 2.47 0.02 1.64 1.43 -1.26 -5.06 118.68 109.06 2cqb s LEU 56 Ca -0.10 -1.09 -0.21 0.00 -1.03 0.00 0.00 54.13 51.71 2cqb s LEU 56 Cb 0.12 -0.52 -0.17 0.00 0.03 0.00 0.00 46.19 45.66 2cqb s LEU 56 CO 0.85 -0.30 1.27 0.00 0.23 0.00 0.00 176.35 178.40 2cqb h ALA 57 N 2.53 0.18 0.09 4.21 0.00 -1.88 -3.08 119.26 121.31 2cqb h ALA 57 Ca -0.38 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.17 2cqb h ALA 57 Cb 1.22 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2cqb h ALA 57 CO 0.64 0.13 -0.23 1.05 0.00 0.00 0.00 179.25 180.84 2cqb h GLU 58 N -0.08 -0.40 -0.81 0.00 4.11 -1.98 -2.13 114.58 113.29 2cqb h GLU 58 Ca 0.01 0.03 0.18 0.00 0.07 0.00 0.00 59.36 59.64 2cqb h GLU 58 Cb 0.80 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.03 2cqb h GLU 58 CO 0.05 -0.27 0.29 -0.44 0.07 0.00 0.00 179.01 178.71 2cqb h ASP 59 N -0.41 0.19 0.18 3.06 5.19 -1.94 -1.22 116.42 121.48 2cqb h ASP 59 Ca 0.03 0.14 0.01 0.00 -0.62 0.00 0.00 57.03 56.59 2cqb h ASP 59 Cb 0.45 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 2cqb h ASP 59 CO -0.14 0.01 -0.20 0.00 -3.12 0.00 0.00 179.24 175.78 2cqb h ALA 60 N 1.64 -0.39 -0.98 3.45 0.00 -1.31 -1.60 119.26 120.07 2cqb h ALA 60 Ca 0.48 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.52 2cqb h ALA 60 Cb 0.84 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 2cqb h ALA 60 CO -0.50 -0.75 0.58 0.00 0.00 0.00 0.00 179.25 178.58 2cqb h ALA 61 N 0.33 1.61 -0.51 0.00 0.00 -0.69 -0.19 119.26 119.80 2cqb h ALA 61 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2cqb h ALA 61 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2cqb h ALA 61 CO -0.06 -0.05 0.12 0.00 0.00 0.00 0.00 179.25 179.25 2cqb h ALA 62 N 1.63 0.68 -0.97 0.00 0.00 -0.84 -2.00 119.26 117.77 2cqb h ALA 62 Ca 0.56 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.30 2cqb h ALA 62 Cb 0.86 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2cqb h ALA 62 CO -0.38 0.38 0.63 0.00 0.00 0.00 0.00 179.25 179.88 2cqb h ALA 63 N 1.00 1.38 0.43 0.00 0.00 -0.09 -2.92 119.26 119.06 2cqb h ALA 63 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2cqb h ALA 63 Cb 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cqb h ALA 63 CO 0.00 0.52 -0.21 0.82 0.00 0.00 0.00 179.25 180.38 2cqb h ILE 64 N 1.21 0.00 -1.32 0.00 2.04 -1.15 0.58 117.51 118.87 2cqb h ILE 64 Ca 0.39 -0.31 0.38 0.00 1.00 0.00 0.00 64.86 66.32 2cqb h ILE 64 Cb 0.03 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.06 2cqb h ILE 64 CO -0.12 0.00 1.20 0.47 0.00 0.00 0.00 178.15 179.70 2cqb n ASP 65 N -4.43 0.00 0.00 1.72 8.00 -0.77 -0.15 116.55 120.92 2cqb n ASP 65 Ca -0.07 0.79 0.00 0.00 0.71 0.00 0.00 54.79 56.21 2cqb n ASP 65 Cb 0.23 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2cqb n ASP 65 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2cqb n ASN 66 N -3.36 0.00 -0.28 -2.24 3.02 -1.11 -4.62 115.26 106.67 2cqb n ASN 66 Ca 0.30 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.99 2cqb n ASN 66 Cb 1.60 -0.24 0.27 0.00 -0.61 0.00 0.00 39.78 40.80 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 -2.00 -0.06 -1.66 3.52 2.81 0.20 -4.36 117.12 115.57 2cqb n MET 67 Ca 0.00 1.20 -0.61 0.00 -1.81 0.00 0.00 57.70 56.48 2cqb n MET 67 Cb 0.00 -1.94 -0.08 0.00 -0.71 0.00 0.00 33.22 30.48 2cqb n MET 67 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2cqb n ASN 68 N -5.11 1.25 -3.75 7.83 6.94 0.79 0.12 115.26 123.32 2cqb n ASN 68 Ca 0.21 1.15 -0.25 0.00 -0.02 0.00 0.00 54.58 55.67 2cqb n ASN 68 Cb 0.69 -0.99 0.04 0.00 -2.36 0.00 0.00 39.78 37.15 2cqb n ASN 68 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2cqb n GLU 69 N 3.52 -5.67 -2.40 -3.83 1.02 -0.40 -4.86 120.64 108.02 2cqb n GLU 69 Ca 0.26 0.65 -0.14 0.00 -0.02 0.00 0.00 57.16 57.92 2cqb n GLU 69 Cb 0.05 -5.44 0.04 0.00 -0.02 0.00 0.00 31.44 26.07 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 -2.97 1.50 -4.19 1.62 7.64 0.12 -4.85 113.62 112.48 2cqb n SER 70 Ca -0.13 -2.07 -0.37 0.00 1.01 0.00 0.00 58.87 57.32 2cqb n SER 70 Cb 0.60 -0.27 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 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 -3.77 2.35 -0.17 1.43 2.12 -1.26 -2.03 118.70 117.38 2cqb s GLU 71 Ca 0.40 -1.45 0.01 0.00 0.36 0.00 0.00 54.97 54.29 2cqb s GLU 71 Cb -0.03 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.94 2cqb s GLU 71 CO 0.25 -0.81 -0.16 -1.17 -0.54 0.00 0.00 175.26 172.83 2cqb s LEU 72 N 1.27 1.97 -1.26 2.70 2.96 0.60 -4.70 118.68 122.21 2cqb s LEU 72 Ca 0.01 -0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 2cqb s LEU 72 Cb -0.21 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.18 2cqb s LEU 72 CO -0.01 -0.05 0.60 0.49 -1.32 0.00 0.00 176.35 176.06 2cqb n PHE 73 N 4.70 -1.78 -2.68 5.38 3.01 -1.26 -2.34 117.46 122.49 2cqb n PHE 73 Ca -0.18 0.51 -0.14 0.00 1.01 0.00 0.00 57.45 58.65 2cqb n PHE 73 Cb 0.49 -4.00 0.02 0.00 -0.01 0.00 0.00 39.48 35.99 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 -1.47 -0.08 3.31 1.37 0.00 -1.26 -5.00 105.19 102.06 2cqb n GLY 74 Ca -0.08 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.19 1.06 -0.27 1.61 1.70 -0.99 -5.14 118.95 111.73 2cqb s ARG 75 Ca 0.17 -0.95 -0.17 0.00 -0.47 0.00 0.00 55.73 54.30 2cqb s ARG 75 Cb -0.07 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 2cqb s ARG 75 CO 0.21 -0.39 0.49 0.99 -1.08 0.00 0.00 175.30 175.52 2cqb s THR 76 N -3.88 5.08 0.06 4.99 2.01 -1.26 -0.30 115.64 122.35 2cqb s THR 76 Ca 0.09 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.90 2cqb s THR 76 Cb 0.03 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2cqb s THR 76 CO -0.07 0.07 0.07 0.27 -0.69 0.00 0.00 174.62 174.27 2cqb s ILE 77 N 2.28 4.49 -0.21 1.82 -4.36 -0.86 -4.69 121.20 119.66 2cqb s ILE 77 Ca 0.20 -0.71 -0.07 0.00 -0.26 0.00 0.00 60.65 59.81 2cqb s ILE 77 Cb -0.16 -3.13 -0.03 0.00 1.25 0.00 0.00 42.46 40.39 2cqb s ILE 77 CO 0.10 0.18 0.05 -0.60 0.24 0.00 0.00 174.94 174.91 2cqb s ARG 78 N -2.20 3.76 -0.06 0.37 3.52 -0.63 -1.28 118.95 122.43 2cqb s ARG 78 Ca 0.27 -0.44 0.05 0.00 -0.13 0.00 0.00 55.73 55.48 2cqb s ARG 78 Cb -0.12 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 2cqb s ARG 78 CO 0.19 0.03 -0.22 0.08 -0.81 0.00 0.00 175.30 174.57 2cqb s VAL 79 N 1.00 1.85 -0.04 7.11 1.01 -1.26 0.04 120.40 130.11 2cqb s VAL 79 Ca 0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2cqb s VAL 79 Cb -0.14 -1.57 0.11 0.00 0.00 0.00 0.00 36.38 34.78 2cqb s VAL 79 CO 0.03 0.52 0.95 0.21 0.00 0.00 0.00 175.10 176.80 2cqb s ASN 80 N -0.06 -0.32 0.21 3.32 2.47 -0.60 -4.49 114.94 115.48 2cqb s ASN 80 Ca -0.05 -0.00 -0.32 0.00 0.42 0.00 0.00 52.86 52.91 2cqb s ASN 80 Cb -0.13 0.34 -0.14 0.00 -1.45 0.00 0.00 41.25 39.86 2cqb s ASN 80 CO 0.04 -0.55 1.37 0.18 -3.72 0.00 0.00 177.10 174.42 2cqb n LEU 81 N -0.21 2.74 -4.67 3.21 4.77 -1.26 0.40 117.00 121.97 2cqb n LEU 81 Ca -0.07 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.64 2cqb n LEU 81 Cb 0.61 -1.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.34 2cqb n LEU 81 CO 0.10 -0.65 0.77 0.00 -1.33 0.00 0.00 177.39 176.28 2cqb n ALA 82 N 1.98 0.88 -2.26 -1.18 0.00 -0.97 -4.65 120.51 114.30 2cqb n ALA 82 Ca 0.13 0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.51 2cqb n ALA 82 Cb 0.29 -2.20 -0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 -2.24 3.57 0.00 0.00 -2.85 -1.26 -4.86 119.74 112.10 2cqb s LYS 83 Ca 0.64 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.85 2cqb s LYS 83 Cb -0.51 -2.38 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 2cqb s LYS 83 CO 0.56 -0.19 0.00 -0.35 0.10 0.00 0.00 175.35 175.47 2cqb n PRO 84 N -2.14 0.28 -4.44 1.78 -0.04 -1.26 -5.09 135.00 124.09 2cqb n PRO 84 Ca 0.01 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.16 2cqb n PRO 84 Cb 0.55 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.97 2cqb n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqb n MET 85 N -0.54 0.71 -4.21 0.54 0.00 -1.26 -5.16 117.12 107.20 2cqb n MET 85 Ca 0.00 -3.71 -0.23 0.00 0.00 0.00 0.00 57.70 53.76 2cqb n MET 85 Cb 0.00 0.79 -0.06 0.00 0.00 0.00 0.00 33.22 33.94 2cqb n MET 85 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 2cqb s ARG 86 N -4.04 2.55 0.30 3.17 1.70 -1.26 -5.14 118.95 116.23 2cqb s ARG 86 Ca 0.12 -1.23 0.03 0.00 -0.47 0.00 0.00 55.73 54.17 2cqb s ARG 86 Cb -0.01 -2.34 -0.04 0.00 -0.57 0.00 0.00 34.95 31.98 2cqb s ARG 86 CO 0.07 0.39 0.12 0.96 -1.08 0.00 0.00 175.30 175.77 2cqb s ILE 87 N -2.16 0.55 -0.19 4.99 -5.25 -1.26 -5.15 121.20 112.73 2cqb s ILE 87 Ca 0.31 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.98 2cqb s ILE 87 Cb -0.07 -2.57 0.02 0.00 2.95 0.00 0.00 42.46 42.79 2cqb s ILE 87 CO 0.22 0.00 -0.18 -0.75 -1.79 0.00 0.00 174.94 172.43 2cqb s LYS 88 N -3.89 2.92 0.09 0.37 2.20 -1.26 -5.12 119.74 115.05 2cqb s LYS 88 Ca 0.35 -0.88 0.10 0.00 -0.36 0.00 0.00 55.97 55.17 2cqb s LYS 88 Cb 0.06 -2.63 -0.03 0.00 -1.51 0.00 0.00 37.83 33.72 2cqb s LYS 88 CO 0.16 -0.25 -0.25 -2.00 -0.36 0.00 0.00 175.35 172.64 2cqb s GLU 89 N 1.28 1.49 -0.04 4.03 2.56 -1.26 -5.05 118.70 121.72 2cqb s GLU 89 Ca 0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 54.97 53.79 2cqb s GLU 89 Cb -0.14 -1.80 -0.02 0.00 2.00 0.00 0.00 34.13 34.17 2cqb s GLU 89 CO -0.12 0.44 -0.06 0.43 -0.56 0.00 0.00 175.26 175.40 2cqb n SER 90 N 1.35 0.44 0.00 -1.70 7.64 -1.26 -5.07 113.62 115.03 2cqb n SER 90 Ca -0.18 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2cqb n SER 90 Cb 0.53 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2cqb n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqb n GLY 91 N 2.75 -1.47 3.56 0.23 0.00 -1.26 -5.11 105.19 103.91 2cqb n GLY 91 Ca -0.09 0.50 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 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 2.86 -0.15 1.61 0.04 -1.26 -4.85 135.00 133.24 2cqb s PRO 92 Ca 0.00 0.82 -0.20 0.00 0.04 0.00 0.00 61.00 61.66 2cqb s PRO 92 Cb 0.00 -4.32 -0.17 0.00 0.04 0.00 0.00 34.50 30.05 2cqb s PRO 92 CO 0.00 -2.45 0.39 0.66 0.04 0.00 0.00 177.00 175.64 2cqb h SER 93 N 14.17 0.00 0.02 6.66 4.64 -2.08 -3.41 113.55 133.55 2cqb h SER 93 Ca -0.28 -0.60 -0.39 0.00 -0.47 0.00 0.00 61.79 60.05 2cqb h SER 93 Cb 1.16 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 2cqb h SER 93 CO 1.17 1.03 -2.33 -0.24 -0.87 0.00 0.00 176.83 175.59 2cqb n SER 94 N -4.59 1.99 0.00 4.97 2.88 -1.26 -5.34 113.62 112.27 2cqb n SER 94 Ca -0.14 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2cqb n SER 94 Cb 0.44 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2cqb n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42