#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqb n SER -5 N 0.00 -0.66 -4.33 1.61 3.41 -1.26 -4.92 113.62 107.47 2cqb n SER -5 Ca 0.00 -1.16 -0.33 0.00 -0.26 0.00 0.00 58.87 57.12 2cqb n SER -5 Cb 0.00 -2.18 -0.15 0.00 -0.26 0.00 0.00 64.21 61.62 2cqb n SER -5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cqb s SER -4 N -3.97 3.95 -0.23 4.04 1.04 -1.26 -5.10 113.70 112.17 2cqb s SER -4 Ca 0.29 -0.38 -0.21 0.00 0.48 0.00 0.00 55.95 56.13 2cqb s SER -4 Cb -0.17 -1.62 0.06 0.00 0.10 0.00 0.00 66.02 64.40 2cqb s SER -4 CO 0.96 0.11 0.60 -0.83 0.98 0.00 0.00 173.24 175.07 2cqb s GLY -3 N 0.69 -0.45 -0.44 7.32 0.00 -1.26 -5.12 107.32 108.05 2cqb s GLY -3 Ca -0.06 1.70 -0.07 0.00 0.00 0.00 0.00 44.72 46.29 2cqb s GLY -3 CO 0.02 1.46 0.29 -0.56 0.00 0.00 0.00 173.10 174.31 2cqb s SER -2 N 0.31 5.54 -0.89 1.64 0.01 -1.26 -5.03 113.70 114.03 2cqb s SER -2 Ca -0.00 -1.90 -0.25 0.00 1.31 0.00 0.00 55.95 55.12 2cqb s SER -2 Cb -0.04 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 2cqb s SER -2 CO 0.01 -0.62 1.93 -0.55 0.41 0.00 0.00 173.24 174.41 2cqb s SER -1 N 2.33 5.18 -0.81 2.44 0.15 -1.26 -4.87 113.70 116.86 2cqb s SER -1 Ca 0.06 -0.64 -0.23 0.00 0.70 0.00 0.00 55.95 55.83 2cqb s SER -1 Cb -0.25 -2.56 -0.19 0.00 -1.71 0.00 0.00 66.02 61.32 2cqb s SER -1 CO -0.02 -2.70 2.42 0.61 1.20 0.00 0.00 173.24 174.76 2cqb n GLY 0 N 6.80 -0.22 1.72 9.45 0.00 -1.26 -4.43 105.19 117.25 2cqb n GLY 0 Ca 0.39 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.94 2cqb n GLY 0 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2cqb n MET 1 N 8.04 0.00 -0.12 1.61 0.00 -1.26 -4.94 117.12 120.44 2cqb n MET 1 Ca 0.54 0.00 -0.18 0.00 -0.00 0.00 0.00 57.70 58.06 2cqb n MET 1 Cb 0.30 -0.14 -0.12 0.00 0.00 0.00 0.00 33.22 33.26 2cqb n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cqb n ALA 2 N -2.90 1.43 -3.72 -5.12 0.00 -1.26 -4.97 120.51 103.97 2cqb n ALA 2 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 53.44 52.05 2cqb n ALA 2 Cb 0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 2cqb n ALA 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cqb n THR 3 N -3.25 -0.19 -3.37 0.00 -2.24 -1.26 -4.82 114.28 99.16 2cqb n THR 3 Ca -0.45 -0.09 -0.46 0.00 -2.27 0.00 0.00 64.05 60.78 2cqb n THR 3 Cb 1.00 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 2cqb n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cqb s THR 4 N -2.97 5.37 -0.86 4.28 2.01 -1.26 -4.94 115.64 117.26 2cqb s THR 4 Ca 0.44 -2.38 -0.05 0.00 0.31 0.00 0.00 61.69 60.02 2cqb s THR 4 Cb -0.26 -4.35 0.07 0.00 0.01 0.00 0.00 72.50 67.97 2cqb s THR 4 CO 0.73 -0.99 2.65 1.17 -0.69 0.00 0.00 174.62 177.49 2cqb n LYS 5 N 4.11 3.42 0.00 4.92 0.00 -1.26 -3.98 118.16 125.38 2cqb n LYS 5 Ca 0.09 -2.78 0.00 0.00 0.00 0.00 0.00 58.31 55.62 2cqb n LYS 5 Cb 0.45 -2.38 0.00 0.00 0.00 0.00 0.00 35.03 33.10 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 1.43 0.64 -2.72 1.64 1.74 -1.26 -4.54 116.66 113.59 2cqb n ARG 6 Ca 0.56 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 2cqb n ARG 6 Cb 0.42 -0.71 -0.03 0.00 -1.02 0.00 0.00 32.46 31.13 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 -1.42 4.75 -0.11 1.55 1.01 -1.26 -3.23 120.40 121.71 2cqb s VAL 7 Ca 0.00 1.94 -0.09 0.00 0.00 0.00 0.00 61.98 63.83 2cqb s VAL 7 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2cqb s VAL 7 CO 0.00 -0.08 0.20 -0.76 0.00 0.00 0.00 175.10 174.46 2cqb s LEU 8 N 2.65 4.38 -0.21 3.92 1.43 0.19 -2.42 118.68 128.62 2cqb s LEU 8 Ca 0.44 0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 53.98 2cqb s LEU 8 Cb -0.16 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 2cqb s LEU 8 CO 0.11 0.35 0.17 -0.47 0.23 0.00 0.00 176.35 176.74 2cqb s TYR 9 N -0.83 3.38 -0.13 0.29 6.14 0.96 -0.94 117.35 126.22 2cqb s TYR 9 Ca 0.16 0.34 -0.00 0.00 0.64 0.00 0.00 57.07 58.21 2cqb s TYR 9 Cb -0.13 -2.23 -0.01 0.00 0.42 0.00 0.00 41.96 40.00 2cqb s TYR 9 CO 0.05 0.20 -0.13 0.08 0.64 0.00 0.00 175.55 176.39 2cqb s VAL 10 N 0.64 3.05 0.25 3.14 1.01 -0.28 -1.76 120.40 126.45 2cqb s VAL 10 Ca 0.09 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2cqb s VAL 10 Cb -0.12 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 2cqb s VAL 10 CO 0.01 0.52 -0.01 -0.83 0.00 0.00 0.00 175.10 174.80 2cqb s GLY 11 N 0.35 1.65 -0.74 4.51 0.00 0.51 -0.99 107.32 112.61 2cqb s GLY 11 Ca -0.11 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.80 2cqb s GLY 11 CO 0.06 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.06 2cqb n GLY 12 N -0.47 0.22 3.77 0.20 0.00 -0.35 -0.28 105.19 108.29 2cqb n GLY 12 Ca -0.05 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.27 1.83 0.76 0.99 1.43 -0.93 -4.29 118.68 116.19 2cqb s LEU 13 Ca 0.00 0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 53.68 2cqb s LEU 13 Cb 0.00 -2.66 0.13 0.00 0.03 0.00 0.00 46.19 43.69 2cqb s LEU 13 CO 0.00 -3.11 1.05 0.00 0.23 0.00 0.00 176.35 174.51 2cqb s ALA 14 N -3.40 3.41 -0.58 4.21 0.00 -1.26 -4.76 121.76 119.38 2cqb s ALA 14 Ca 0.69 -1.58 0.24 0.00 0.00 0.00 0.00 51.96 51.32 2cqb s ALA 14 Cb -0.09 -2.18 0.48 0.00 0.00 0.00 0.00 23.12 21.33 2cqb s ALA 14 CO 0.54 -1.61 1.54 1.05 0.00 0.00 0.00 175.76 177.28 2cqb h GLU 15 N -0.72 0.00 0.00 0.00 4.11 -1.97 -3.25 114.58 112.75 2cqb h GLU 15 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2cqb h GLU 15 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2cqb h GLU 15 CO 0.41 0.00 -1.25 -0.85 0.07 0.00 0.00 179.01 177.39 2cqb n GLU 16 N -2.49 0.53 -2.50 1.06 0.28 -1.26 -4.96 120.64 111.30 2cqb n GLU 16 Ca 0.04 -0.06 -0.39 0.00 -0.16 0.00 0.00 57.16 56.59 2cqb n GLU 16 Cb 0.47 -1.45 -0.04 0.00 1.43 0.00 0.00 31.44 31.85 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2cqb s VAL 17 N -3.04 3.58 0.37 3.84 1.01 -1.23 -4.96 120.40 119.97 2cqb s VAL 17 Ca 0.03 1.42 -0.03 0.00 0.00 0.00 0.00 61.98 63.39 2cqb s VAL 17 Cb 0.14 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2cqb s VAL 17 CO 0.82 0.21 0.53 -1.81 0.00 0.00 0.00 175.10 174.86 2cqb s ASP 18 N -1.17 0.94 0.45 3.32 1.11 -1.26 -4.83 116.67 115.23 2cqb s ASP 18 Ca 0.50 -1.51 0.24 0.00 0.18 0.00 0.00 52.55 51.96 2cqb s ASP 18 Cb -0.28 0.71 1.24 0.00 1.07 0.00 0.00 42.92 45.66 2cqb s ASP 18 CO 0.35 -1.39 1.81 -2.24 1.18 0.00 0.00 175.17 174.88 2cqb h ASP 19 N 2.06 0.29 -0.00 0.27 2.03 -1.96 0.13 116.42 119.23 2cqb h ASP 19 Ca -0.29 0.05 -0.00 0.00 -0.73 0.00 0.00 57.03 56.06 2cqb h ASP 19 Cb 1.24 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2cqb h ASP 19 CO 0.39 0.07 -0.00 0.07 -1.03 0.00 0.00 179.24 178.74 2cqb h LYS 20 N 0.26 0.01 -0.45 4.15 2.10 -1.98 0.17 116.57 120.83 2cqb h LYS 20 Ca 0.54 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 2cqb h LYS 20 Cb 1.61 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.91 2cqb h LYS 20 CO -0.17 0.37 0.29 0.28 -2.00 0.00 0.00 179.45 178.22 2cqb h VAL 21 N -0.36 1.13 0.00 0.07 2.07 -1.42 -2.05 116.25 115.69 2cqb h VAL 21 Ca 0.00 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 2cqb h VAL 21 Cb 0.37 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2cqb h VAL 21 CO 0.00 0.12 -0.48 -0.07 0.02 0.00 0.00 177.57 177.16 2cqb h LEU 22 N 0.61 0.00 0.61 2.57 3.38 -1.14 -1.90 115.31 119.45 2cqb h LEU 22 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2cqb h LEU 22 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2cqb h LEU 22 CO -0.03 0.48 -0.29 -0.74 0.09 0.00 0.00 178.44 177.94 2cqb h HIS 23 N 0.00 -0.76 0.00 1.13 2.76 -0.07 -0.07 115.15 118.14 2cqb h HIS 23 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2cqb h HIS 23 Cb 0.90 0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.11 2cqb h HIS 23 CO 0.00 -0.43 0.00 0.00 -1.30 0.00 0.00 177.93 176.20 2cqb n ALA 24 N -2.55 1.75 0.20 5.26 0.00 -0.83 -0.60 120.51 123.75 2cqb n ALA 24 Ca -0.12 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2cqb n ALA 24 Cb 0.35 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.47 2cqb n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cqb h ALA 25 N 2.32 0.60 -0.02 0.00 0.00 -1.07 -3.34 119.26 117.75 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 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 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 -2.65 0.01 0.14 0.00 3.01 -0.06 -4.62 117.46 113.29 2cqb n PHE 26 Ca 0.01 -0.04 0.06 0.00 1.01 0.00 0.00 57.45 58.50 2cqb n PHE 26 Cb 0.53 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.54 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 0.85 1.04 -0.08 4.37 6.09 -0.97 -2.74 117.51 126.07 2cqb h ILE 27 Ca 0.00 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 2cqb h ILE 27 Cb 0.21 0.78 -0.00 0.00 0.47 0.00 0.00 36.82 38.28 2cqb h ILE 27 CO 0.00 0.04 0.05 -0.65 -3.07 0.00 0.00 178.15 174.52 2cqb h PRO 28 N 0.24 0.10 0.00 2.19 0.11 -1.82 -3.29 132.00 129.53 2cqb h PRO 28 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2cqb h PRO 28 Cb -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2cqb h PRO 28 CO -0.01 0.08 0.00 1.19 -0.21 0.00 0.00 178.00 179.04 2cqb n PHE 29 N -5.03 0.00 -1.06 0.65 3.72 -1.04 -4.94 117.46 109.77 2cqb n PHE 29 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2cqb n PHE 29 Cb 0.03 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 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 5.44 2.73 1.37 0.00 -1.23 -5.04 105.19 107.49 2cqb n GLY 30 Ca 0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 3.69 -3.75 1.61 -0.08 -1.26 -4.63 116.55 112.13 2cqb n ASP 31 Ca 0.00 -3.32 -0.54 0.00 -1.51 0.00 0.00 54.79 49.42 2cqb n ASP 31 Cb 0.00 -0.79 -0.08 0.00 2.34 0.00 0.00 41.12 42.60 2cqb n ASP 31 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2cqb n ILE 32 N 1.48 0.00 0.03 5.18 5.41 -1.26 -3.89 119.36 126.31 2cqb n ILE 32 Ca 0.25 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.79 2cqb n ILE 32 Cb 0.38 -0.39 -0.14 0.00 -0.71 0.00 0.00 39.64 38.77 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 3.94 1.24 -1.88 1.39 1.35 -1.22 -3.48 112.91 114.26 2cqb h THR 33 Ca -0.35 -2.47 -0.02 0.00 -0.55 0.00 0.00 66.41 63.02 2cqb h THR 33 Cb 1.08 2.93 -0.21 0.00 -1.73 0.00 0.00 68.15 70.22 2cqb h THR 33 CO 0.77 0.71 0.27 -0.62 -0.25 0.00 0.00 175.52 176.40 2cqb s ASP 34 N -7.04 -0.61 0.06 5.36 2.15 -1.24 -5.04 116.67 110.31 2cqb s ASP 34 Ca -0.17 0.89 0.09 0.00 0.43 0.00 0.00 52.55 53.79 2cqb s ASP 34 Cb 0.03 0.80 -0.03 0.00 -0.30 0.00 0.00 42.92 43.42 2cqb s ASP 34 CO 0.80 -0.41 -0.25 -0.63 -0.17 0.00 0.00 175.17 174.52 2cqb s ILE 35 N -0.57 2.01 -0.02 4.11 1.01 -1.26 -0.61 121.20 125.87 2cqb s ILE 35 Ca -0.05 -1.38 0.06 0.00 0.00 0.00 0.00 60.65 59.28 2cqb s ILE 35 Cb -0.02 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 2cqb s ILE 35 CO 0.04 0.28 -0.20 -1.10 0.00 0.00 0.00 174.94 173.96 2cqb s GLN 36 N -1.33 1.73 -0.15 2.79 1.11 -0.03 -5.02 119.66 118.77 2cqb s GLN 36 Ca 0.11 -0.72 0.00 0.00 0.01 0.00 0.00 55.36 54.76 2cqb s GLN 36 Cb -0.10 -1.63 0.02 0.00 -1.01 0.00 0.00 33.01 30.30 2cqb s GLN 36 CO 0.02 0.40 -0.14 0.42 0.01 0.00 0.00 175.29 176.00 2cqb s ILE 37 N -0.37 1.58 -0.68 1.08 -1.09 -1.26 -1.33 121.20 119.13 2cqb s ILE 37 Ca 0.05 -0.64 -0.26 0.00 -2.23 0.00 0.00 60.65 57.57 2cqb s ILE 37 Cb -0.09 -1.48 -0.03 0.00 -1.58 0.00 0.00 42.46 39.29 2cqb s ILE 37 CO 0.00 0.46 1.88 -2.16 -1.23 0.00 0.00 174.94 173.89 2cqb s PRO 38 N 1.43 2.61 0.35 2.79 0.04 -1.26 -4.97 135.00 135.99 2cqb s PRO 38 Ca 0.04 0.39 0.08 0.00 0.04 0.00 0.00 61.00 61.55 2cqb s PRO 38 Cb -0.13 -4.55 -0.04 0.00 0.04 0.00 0.00 34.50 29.82 2cqb s PRO 38 CO -0.10 -2.89 0.16 -0.51 0.04 0.00 0.00 177.00 173.70 2cqb s LEU 39 N 9.33 3.29 0.62 -3.56 1.43 -1.26 -3.71 118.68 124.81 2cqb s LEU 39 Ca 0.68 -0.76 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2cqb s LEU 39 Cb -0.11 -1.77 0.10 0.00 0.03 0.00 0.00 46.19 44.44 2cqb s LEU 39 CO 0.15 -0.32 0.85 -0.62 0.23 0.00 0.00 176.35 176.64 2cqb s ASP 40 N -3.87 4.87 0.00 2.29 2.15 -1.14 -4.85 116.67 116.13 2cqb s ASP 40 Ca 0.38 -0.75 0.18 0.00 0.43 0.00 0.00 52.55 52.80 2cqb s ASP 40 Cb -0.02 0.27 -0.03 0.00 -0.30 0.00 0.00 42.92 42.83 2cqb s ASP 40 CO 0.23 -1.51 0.91 0.00 -0.17 0.00 0.00 175.17 174.64 2cqb n TYR 41 N -2.41 0.00 0.00 -5.34 0.18 -1.26 -2.76 117.16 105.57 2cqb n TYR 41 Ca 0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.94 2cqb n TYR 41 Cb 0.61 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.57 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 -0.28 2.66 -0.00 -3.48 0.28 -1.26 -4.77 120.64 113.79 2cqb n GLU 42 Ca 0.07 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.08 2cqb n GLU 42 Cb 0.37 -0.99 -0.01 0.00 1.43 0.00 0.00 31.44 32.24 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 -1.81 0.00 -2.35 3.84 -2.24 -1.26 -4.99 114.28 105.46 2cqb n THR 43 Ca 0.00 -0.24 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 2cqb n THR 43 Cb 0.33 0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.32 -2.45 -4.31 -0.78 -0.58 -1.11 -4.81 120.64 105.28 2cqb n GLU 44 Ca -0.00 0.33 -0.23 0.00 -0.42 0.00 0.00 57.16 56.83 2cqb n GLU 44 Cb 0.04 -4.84 -0.08 0.00 -0.57 0.00 0.00 31.44 25.99 2cqb n GLU 44 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2cqb s LYS 45 N -4.79 2.23 0.18 3.49 -2.85 -1.26 -4.52 119.74 112.22 2cqb s LYS 45 Ca 0.00 -1.43 0.04 0.00 -1.00 0.00 0.00 55.97 53.58 2cqb s LYS 45 Cb 0.00 -2.13 -0.04 0.00 -2.06 0.00 0.00 37.83 33.60 2cqb s LYS 45 CO 0.00 0.37 0.23 -3.38 0.10 0.00 0.00 175.35 172.67 2cqb s HIS 46 N -2.28 3.32 -0.27 1.78 -3.43 -1.24 -2.86 115.29 110.30 2cqb s HIS 46 Ca 0.31 0.02 0.02 0.00 -0.80 0.00 0.00 55.06 54.61 2cqb s HIS 46 Cb -0.07 -1.56 0.25 0.00 -1.43 0.00 0.00 32.58 29.77 2cqb s HIS 46 CO 0.19 0.51 1.25 0.54 -2.00 0.00 0.00 174.74 175.23 2cqb n ARG 47 N -0.69 1.63 -2.07 -0.38 3.00 -1.26 -4.79 116.66 112.10 2cqb n ARG 47 Ca -0.08 -1.08 -0.01 0.00 -0.01 0.00 0.00 57.85 56.67 2cqb n ARG 47 Cb 0.55 -1.49 0.01 0.00 0.00 0.00 0.00 32.46 31.53 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 -0.02 0.41 3.65 -0.13 0.00 -1.26 -4.85 105.19 102.98 2cqb n GLY 48 Ca 0.19 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.03 -0.16 0.07 1.61 -0.71 -1.26 -1.22 117.98 113.29 2cqb s PHE 49 Ca 0.00 -0.03 -0.12 0.00 -1.04 0.00 0.00 56.93 55.74 2cqb s PHE 49 Cb -0.00 0.58 0.04 0.00 -1.21 0.00 0.00 43.02 42.43 2cqb s PHE 49 CO 0.05 -0.55 0.59 0.00 -1.34 0.00 0.00 175.22 173.96 2cqb n ALA 50 N -0.38 -1.57 -2.92 1.99 0.00 -0.16 -4.31 120.51 113.16 2cqb n ALA 50 Ca -0.06 -0.52 -0.18 0.00 0.00 0.00 0.00 53.44 52.68 2cqb n ALA 50 Cb 0.61 0.25 -0.15 0.00 0.00 0.00 0.00 19.45 20.16 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 -3.55 0.66 -0.05 0.00 0.40 -0.44 -1.13 117.98 113.88 2cqb s PHE 51 Ca 0.13 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 2cqb s PHE 51 Cb -0.01 -0.47 -0.02 0.00 0.51 0.00 0.00 43.02 43.03 2cqb s PHE 51 CO 0.02 -0.05 -0.23 0.08 0.70 0.00 0.00 175.22 175.74 2cqb s VAL 52 N 0.07 2.30 -0.30 -0.44 1.01 -0.12 -0.85 120.40 122.07 2cqb s VAL 52 Ca -0.01 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 2cqb s VAL 52 Cb -0.05 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2cqb s VAL 52 CO -0.00 0.57 0.17 -0.70 0.00 0.00 0.00 175.10 175.15 2cqb s GLU 53 N -0.39 3.56 0.38 2.72 2.12 0.23 -0.64 118.70 126.68 2cqb s GLU 53 Ca 0.03 -0.57 -0.08 0.00 0.36 0.00 0.00 54.97 54.71 2cqb s GLU 53 Cb -0.12 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 2cqb s GLU 53 CO 0.02 -0.34 0.70 -0.06 -0.54 0.00 0.00 175.26 175.04 2cqb s PHE 54 N 1.67 3.49 0.27 5.30 0.40 -1.20 -0.76 117.98 127.15 2cqb s PHE 54 Ca 0.06 0.87 0.23 0.00 -0.60 0.00 0.00 56.93 57.48 2cqb s PHE 54 Cb -0.17 -2.30 1.03 0.00 0.51 0.00 0.00 43.02 42.09 2cqb s PHE 54 CO 0.08 -0.05 1.89 1.49 0.70 0.00 0.00 175.22 179.33 2cqb h GLU 55 N 1.18 0.00 -4.58 0.44 4.81 -1.92 -3.43 114.58 111.08 2cqb h GLU 55 Ca -0.47 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.42 2cqb h GLU 55 Cb 1.19 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.45 2cqb h GLU 55 CO 0.64 0.24 -0.46 -0.51 -0.73 0.00 0.00 179.01 178.19 2cqb s LEU 56 N -7.18 1.33 -0.08 1.64 1.43 -1.26 -5.07 118.68 109.49 2cqb s LEU 56 Ca -0.01 -1.54 -0.13 0.00 -1.03 0.00 0.00 54.13 51.43 2cqb s LEU 56 Cb 0.12 0.74 -0.29 0.00 0.03 0.00 0.00 46.19 46.79 2cqb s LEU 56 CO 0.64 -1.04 0.60 0.00 0.23 0.00 0.00 176.35 176.78 2cqb h ALA 57 N 2.30 0.18 -0.13 4.21 0.00 -1.88 -3.27 119.26 120.66 2cqb h ALA 57 Ca -0.29 -1.14 0.03 0.00 0.00 0.00 0.00 54.91 53.51 2cqb h ALA 57 Cb 1.24 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2cqb h ALA 57 CO 0.42 0.96 -0.05 1.05 0.00 0.00 0.00 179.25 181.63 2cqb h GLU 58 N -0.07 -0.03 -0.82 0.00 4.11 -1.98 -1.63 114.58 114.15 2cqb h GLU 58 Ca -0.33 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.15 2cqb h GLU 58 Cb 1.96 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 31.16 2cqb h GLU 58 CO 0.12 -0.02 0.54 -0.44 0.07 0.00 0.00 179.01 179.28 2cqb h ASP 59 N -0.03 0.83 0.25 3.06 3.32 -1.97 -2.28 116.42 119.60 2cqb h ASP 59 Ca 0.07 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2cqb h ASP 59 Cb 0.14 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2cqb h ASP 59 CO -0.16 0.54 -0.12 0.00 -1.72 0.00 0.00 179.24 177.78 2cqb h ALA 60 N 1.54 -0.34 -0.80 3.45 0.00 -1.41 -1.94 119.26 119.77 2cqb h ALA 60 Ca 0.35 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.26 2cqb h ALA 60 Cb 0.16 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 2cqb h ALA 60 CO -0.12 -0.65 0.42 0.00 0.00 0.00 0.00 179.25 178.91 2cqb h ALA 61 N 0.30 1.15 -0.71 0.00 0.00 -0.95 -1.20 119.26 117.85 2cqb h ALA 61 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2cqb h ALA 61 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2cqb h ALA 61 CO 0.06 -0.01 0.41 0.00 0.00 0.00 0.00 179.25 179.71 2cqb h ALA 62 N 1.48 0.91 -0.78 0.00 0.00 -1.24 -1.99 119.26 117.65 2cqb h ALA 62 Ca 0.41 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2cqb h ALA 62 Cb 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2cqb h ALA 62 CO -0.30 0.40 0.47 0.00 0.00 0.00 0.00 179.25 179.83 2cqb h ALA 63 N 1.21 1.37 0.38 0.00 0.00 -0.44 -2.48 119.26 119.31 2cqb h ALA 63 Ca 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2cqb h ALA 63 Cb -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2cqb h ALA 63 CO -0.04 0.55 -0.18 0.82 0.00 0.00 0.00 179.25 180.39 2cqb h ILE 64 N 1.07 0.57 0.00 0.00 2.04 -0.89 0.73 117.51 121.03 2cqb h ILE 64 Ca 0.28 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2cqb h ILE 64 Cb -0.05 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2cqb h ILE 64 CO -0.05 0.09 0.14 0.47 0.00 0.00 0.00 178.15 178.79 2cqb n ASP 65 N -5.19 0.40 0.00 1.72 8.00 -0.79 -0.45 116.55 120.24 2cqb n ASP 65 Ca -0.10 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.03 2cqb n ASP 65 Cb 0.28 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.07 0.00 -0.36 -2.24 5.03 -0.94 -4.63 115.26 110.05 2cqb n ASN 66 Ca -0.01 0.00 0.28 0.00 0.87 0.00 0.00 54.58 55.72 2cqb n ASN 66 Cb 0.16 -0.27 0.57 0.00 -1.02 0.00 0.00 39.78 39.22 2cqb n ASN 66 CO 0.00 0.00 0.00 0.24 -1.83 0.00 0.00 177.26 175.67 2cqb h MET 67 N 0.00 0.27 -5.92 3.52 2.86 0.47 -3.41 114.93 112.71 2cqb h MET 67 Ca 0.00 -0.02 -0.83 0.00 -2.06 0.00 0.00 59.70 56.80 2cqb h MET 67 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2cqb h MET 67 CO 0.00 0.18 0.92 -1.71 1.06 0.00 0.00 176.91 177.36 2cqb n ASN 68 N -4.61 1.02 -3.48 1.22 5.15 0.41 0.12 115.26 115.10 2cqb n ASN 68 Ca 0.29 0.98 -0.22 0.00 -0.60 0.00 0.00 54.58 55.03 2cqb n ASN 68 Cb 1.06 -0.88 0.08 0.00 -0.53 0.00 0.00 39.78 39.51 2cqb n ASN 68 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2cqb n GLU 69 N 5.26 -7.47 -1.75 1.20 1.02 -1.11 -4.93 120.64 112.86 2cqb n GLU 69 Ca 0.40 0.81 -0.15 0.00 -0.02 0.00 0.00 57.16 58.20 2cqb n GLU 69 Cb -0.05 -5.79 0.08 0.00 -0.02 0.00 0.00 31.44 25.66 2cqb n GLU 69 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2cqb n SER 70 N -2.93 0.75 -4.08 1.62 3.41 0.33 -4.90 113.62 107.83 2cqb n SER 70 Ca -0.06 -1.66 -0.32 0.00 -0.26 0.00 0.00 58.87 56.57 2cqb n SER 70 Cb 0.58 -0.42 -0.15 0.00 -0.26 0.00 0.00 64.21 63.96 2cqb n SER 70 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2cqb s GLU 71 N -4.13 2.33 -0.12 4.33 2.12 -1.26 -2.89 118.70 119.07 2cqb s GLU 71 Ca 0.41 -1.29 0.01 0.00 0.36 0.00 0.00 54.97 54.46 2cqb s GLU 71 Cb -0.02 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.53 2cqb s GLU 71 CO 0.28 -0.53 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.17 2cqb s LEU 72 N 1.13 1.54 -1.47 2.70 2.96 0.79 -4.75 118.68 121.58 2cqb s LEU 72 Ca -0.07 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 2cqb s LEU 72 Cb -0.19 -1.02 0.03 0.00 0.50 0.00 0.00 46.19 45.51 2cqb s LEU 72 CO -0.06 -0.05 0.70 0.49 -1.32 0.00 0.00 176.35 176.12 2cqb n PHE 73 N 4.56 -2.10 -2.30 5.38 3.01 -1.26 -1.24 117.46 123.51 2cqb n PHE 73 Ca -0.17 0.62 -0.11 0.00 1.01 0.00 0.00 57.45 58.80 2cqb n PHE 73 Cb 0.51 -4.18 -0.00 0.00 -0.01 0.00 0.00 39.48 35.80 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 -1.53 -0.06 3.03 1.37 0.00 -1.26 -5.02 105.19 101.71 2cqb n GLY 74 Ca -0.06 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.68 0.41 -0.58 1.61 0.52 -0.37 -5.12 118.95 110.75 2cqb s ARG 75 Ca 0.03 -0.72 -0.18 0.00 -0.52 0.00 0.00 55.73 54.34 2cqb s ARG 75 Cb -0.01 0.15 0.11 0.00 0.52 0.00 0.00 34.95 35.71 2cqb s ARG 75 CO 0.04 -0.08 0.67 0.99 0.02 0.00 0.00 175.30 176.94 2cqb s THR 76 N -2.03 4.89 0.53 0.02 2.01 -1.26 -0.15 115.64 119.64 2cqb s THR 76 Ca -0.10 -1.07 -0.05 0.00 0.31 0.00 0.00 61.69 60.78 2cqb s THR 76 Cb -0.05 -4.46 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 2cqb s THR 76 CO -0.03 -1.08 0.83 0.27 -0.69 0.00 0.00 174.62 173.93 2cqb s ILE 77 N 2.50 4.24 -0.09 1.82 -4.36 -1.14 -4.77 121.20 119.39 2cqb s ILE 77 Ca 0.10 0.04 0.04 0.00 -0.26 0.00 0.00 60.65 60.57 2cqb s ILE 77 Cb -0.25 -3.64 -0.00 0.00 1.25 0.00 0.00 42.46 39.82 2cqb s ILE 77 CO 0.06 -0.62 -0.22 -0.13 0.24 0.00 0.00 174.94 174.26 2cqb s ARG 78 N -4.84 2.98 -0.11 0.37 1.81 0.62 -2.76 118.95 117.02 2cqb s ARG 78 Ca 0.50 -0.85 0.03 0.00 -1.72 0.00 0.00 55.73 53.69 2cqb s ARG 78 Cb -0.10 -2.32 0.01 0.00 -0.45 0.00 0.00 34.95 32.08 2cqb s ARG 78 CO 0.44 0.24 -0.21 0.08 -0.68 0.00 0.00 175.30 175.17 2cqb s VAL 79 N 0.21 1.90 0.14 3.52 1.01 -1.26 -0.37 120.40 125.56 2cqb s VAL 79 Ca -0.14 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.68 2cqb s VAL 79 Cb -0.17 -1.67 0.07 0.00 0.00 0.00 0.00 36.38 34.61 2cqb s VAL 79 CO 0.07 0.52 0.76 0.21 0.00 0.00 0.00 175.10 176.67 2cqb s ASN 80 N 0.57 -0.39 0.21 3.32 2.47 -0.72 -4.55 114.94 115.86 2cqb s ASN 80 Ca -0.14 -0.19 -0.32 0.00 0.42 0.00 0.00 52.86 52.63 2cqb s ASN 80 Cb -0.17 0.55 -0.15 0.00 -1.45 0.00 0.00 41.25 40.03 2cqb s ASN 80 CO 0.04 -0.94 1.22 0.18 -3.72 0.00 0.00 177.10 173.88 2cqb n LEU 81 N -0.38 2.07 -4.47 3.21 4.77 -1.26 -0.03 117.00 120.92 2cqb n LEU 81 Ca -0.10 1.15 -0.44 0.00 -0.03 0.00 0.00 56.01 56.59 2cqb n LEU 81 Cb 0.62 -1.29 -0.11 0.00 -2.33 0.00 0.00 43.42 40.31 2cqb n LEU 81 CO 0.12 -1.06 2.05 0.00 -1.33 0.00 0.00 177.39 177.18 2cqb n ALA 82 N 1.42 0.51 -1.27 -1.18 0.00 -1.01 -4.63 120.51 114.35 2cqb n ALA 82 Ca 0.13 -0.33 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 2cqb n ALA 82 Cb 0.28 -2.49 0.04 0.00 0.00 0.00 0.00 19.45 17.28 2cqb n ALA 82 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2cqb n LYS 83 N 8.43 0.22 -2.18 0.00 2.85 -1.26 -4.85 118.16 121.37 2cqb n LYS 83 Ca 0.54 0.09 -0.42 0.00 -1.05 0.00 0.00 58.31 57.48 2cqb n LYS 83 Cb 0.16 -1.45 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 2cqb n LYS 83 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2cqb s PRO 84 N -1.98 4.29 -0.17 -1.58 0.04 -1.26 -5.01 135.00 129.32 2cqb s PRO 84 Ca 0.61 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.65 2cqb s PRO 84 Cb -0.40 -3.49 0.05 0.00 0.04 0.00 0.00 34.50 30.70 2cqb s PRO 84 CO 0.62 -0.55 0.03 1.41 0.04 0.00 0.00 177.00 178.55 2cqb s MET 85 N 2.09 0.66 -0.15 4.56 1.75 -1.26 -5.12 119.30 121.83 2cqb s MET 85 Ca 0.65 -0.33 -0.29 0.00 -1.25 0.00 0.00 55.69 54.48 2cqb s MET 85 Cb -0.34 -1.91 0.08 0.00 2.84 0.00 0.00 34.83 35.51 2cqb s MET 85 CO 0.28 -0.58 0.74 0.50 -0.65 0.00 0.00 175.02 175.32 2cqb s ARG 86 N 1.88 0.91 0.19 4.11 3.52 -1.26 -5.15 118.95 123.14 2cqb s ARG 86 Ca 0.00 0.51 0.07 0.00 -0.13 0.00 0.00 55.73 56.19 2cqb s ARG 86 Cb -0.16 0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 33.62 2cqb s ARG 86 CO -0.07 -0.23 -0.14 0.96 -0.81 0.00 0.00 175.30 175.01 2cqb s ILE 87 N -0.59 1.66 -0.21 4.11 -5.25 -1.26 -5.15 121.20 114.50 2cqb s ILE 87 Ca -0.06 -2.13 -0.14 0.00 -0.99 0.00 0.00 60.65 57.32 2cqb s ILE 87 Cb -0.02 -1.97 0.06 0.00 2.95 0.00 0.00 42.46 43.49 2cqb s ILE 87 CO 0.05 -0.57 0.54 -0.75 -1.79 0.00 0.00 174.94 172.42 2cqb s LYS 88 N -3.50 0.57 -0.68 0.37 2.20 -1.26 -5.11 119.74 112.32 2cqb s LYS 88 Ca 0.20 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 56.73 2cqb s LYS 88 Cb -0.01 0.14 0.17 0.00 -1.51 0.00 0.00 37.83 36.61 2cqb s LYS 88 CO 0.06 -0.13 0.49 -2.00 -0.36 0.00 0.00 175.35 173.41 2cqb s GLU 89 N 1.09 2.56 0.34 4.03 -6.30 -1.26 -5.07 118.70 114.09 2cqb s GLU 89 Ca -0.06 -2.97 0.09 0.00 -2.50 0.00 0.00 54.97 49.52 2cqb s GLU 89 Cb -0.06 -3.59 -0.05 0.00 0.00 0.00 0.00 34.13 30.43 2cqb s GLU 89 CO -0.10 -1.21 0.05 -1.12 0.02 0.00 0.00 175.26 172.90 2cqb s SER 90 N -0.39 4.33 0.00 -1.70 0.01 -1.26 -5.15 113.70 109.54 2cqb s SER 90 Ca 0.22 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2cqb s SER 90 Cb -0.14 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.50 2cqb s SER 90 CO -0.08 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2cqb n GLY 91 N -1.02 6.82 3.71 3.44 0.00 -1.26 -5.11 105.19 111.77 2cqb n GLY 91 Ca -0.04 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 0.72 4.32 0.33 1.61 0.04 -1.26 -5.00 135.00 135.76 2cqb s PRO 92 Ca 0.00 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2cqb s PRO 92 Cb 0.00 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 31.12 2cqb s PRO 92 CO 0.00 -0.45 0.97 -1.54 0.04 0.00 0.00 177.00 176.02 2cqb s SER 93 N 1.27 7.26 0.52 6.66 1.04 -1.26 -5.06 113.70 124.13 2cqb s SER 93 Ca 0.64 1.89 0.02 0.00 0.48 0.00 0.00 55.95 58.98 2cqb s SER 93 Cb -0.35 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.21 2cqb s SER 93 CO 0.29 -0.13 0.74 -0.44 0.98 0.00 0.00 173.24 174.69 2cqb s SER 94 N -1.55 5.39 0.00 7.02 0.01 -1.26 -5.36 113.70 117.95 2cqb s SER 94 Ca 0.51 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2cqb s SER 94 Cb -0.20 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.07 2cqb s SER 94 CO 0.25 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.47