#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 4.94 -0.70 1.61 0.15 -1.26 -5.04 113.70 113.40 2cqb s SER -5 Ca 0.00 -2.80 -0.26 0.00 0.70 0.00 0.00 55.95 53.59 2cqb s SER -5 Cb 0.00 -1.78 -0.07 0.00 -1.71 0.00 0.00 66.02 62.46 2cqb s SER -5 CO 0.00 -0.34 2.18 -0.55 1.20 0.00 0.00 173.24 175.73 2cqb s SER -4 N 0.50 4.62 -0.30 5.45 0.15 -1.26 -4.12 113.70 118.74 2cqb s SER -4 Ca 0.16 0.21 -0.27 0.00 0.70 0.00 0.00 55.95 56.75 2cqb s SER -4 Cb -0.22 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2cqb s SER -4 CO -0.03 -3.03 0.45 0.61 1.20 0.00 0.00 173.24 172.44 2cqb n GLY -3 N 6.37 0.13 1.93 9.45 0.00 -1.26 -4.71 105.19 117.11 2cqb n GLY -3 Ca 0.37 0.78 -0.10 0.00 0.00 0.00 0.00 46.02 47.08 2cqb n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqb n SER -2 N 0.30 5.05 -0.30 1.61 2.88 -1.26 -4.57 113.62 117.33 2cqb n SER -2 Ca -0.06 -2.43 0.11 0.00 -1.33 0.00 0.00 58.87 55.17 2cqb n SER -2 Cb 0.60 -1.32 0.28 0.00 -0.75 0.00 0.00 64.21 63.02 2cqb n SER -2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2cqb h SER -1 N 2.77 0.37 -3.71 -3.46 0.87 -1.96 -3.42 113.55 105.00 2cqb h SER -1 Ca 0.15 0.14 -0.46 0.00 -1.23 0.00 0.00 61.79 60.38 2cqb h SER -1 Cb 1.37 0.10 0.18 0.00 -0.44 0.00 0.00 62.40 63.62 2cqb h SER -1 CO 0.20 0.06 0.13 -0.83 -0.53 0.00 0.00 176.83 175.85 2cqb s GLY 0 N -3.72 1.59 -1.23 5.77 0.00 -1.26 -3.98 107.32 104.48 2cqb s GLY 0 Ca -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 2cqb s GLY 0 CO 0.78 0.55 0.95 -0.13 0.00 0.00 0.00 173.10 175.25 2cqb n MET 1 N -4.45 -6.35 -1.41 2.90 0.00 -1.26 -4.93 117.12 101.63 2cqb n MET 1 Ca 0.06 0.80 -0.06 0.00 -0.00 0.00 0.00 57.70 58.50 2cqb n MET 1 Cb 0.55 -5.73 0.11 0.00 0.00 0.00 0.00 33.22 28.14 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 -4.20 3.95 -0.08 -5.12 0.00 -1.26 -4.83 120.51 108.97 2cqb n ALA 2 Ca -0.28 -3.35 -0.07 0.00 0.00 0.00 0.00 53.44 49.75 2cqb n ALA 2 Cb 0.67 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2cqb n ALA 2 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2cqb h THR 3 N 2.43 0.91 -3.41 0.00 2.02 -1.92 -3.44 112.91 109.49 2cqb h THR 3 Ca 0.10 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 67.08 2cqb h THR 3 Cb 1.31 0.66 -0.19 0.00 -1.74 0.00 0.00 68.15 68.19 2cqb h THR 3 CO 0.31 0.04 -0.40 -0.89 0.37 0.00 0.00 175.52 174.95 2cqb s THR 4 N -6.17 0.09 0.00 3.16 2.01 -1.26 -5.05 115.64 108.41 2cqb s THR 4 Ca -0.13 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.16 2cqb s THR 4 Cb 0.11 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.97 2cqb s THR 4 CO 0.70 -0.39 0.00 0.29 -0.69 0.00 0.00 174.62 174.53 2cqb n LYS 5 N 1.13 0.06 -0.27 4.92 5.02 -1.26 -4.69 118.16 123.07 2cqb n LYS 5 Ca -0.21 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.05 2cqb n LYS 5 Cb 0.57 -0.63 0.15 0.00 -0.02 0.00 0.00 35.03 35.09 2cqb n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cqb h ARG 6 N 0.00 1.11 -6.35 1.97 3.08 -1.90 -3.39 114.38 108.90 2cqb h ARG 6 Ca 0.00 -0.13 -0.54 0.00 0.07 0.00 0.00 59.98 59.38 2cqb h ARG 6 Cb 0.27 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 2cqb h ARG 6 CO 0.00 0.83 1.13 0.08 -1.07 0.00 0.00 179.97 180.93 2cqb s VAL 7 N -5.72 3.73 0.13 2.04 1.01 -1.26 -3.07 120.40 117.25 2cqb s VAL 7 Ca -0.12 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 2cqb s VAL 7 Cb 0.17 -4.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 2cqb s VAL 7 CO 0.81 -1.17 0.59 -0.76 0.00 0.00 0.00 175.10 174.58 2cqb s LEU 8 N 6.37 4.43 -0.24 3.92 1.43 0.43 -2.45 118.68 132.57 2cqb s LEU 8 Ca 0.53 1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 54.76 2cqb s LEU 8 Cb -0.11 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 2cqb s LEU 8 CO 0.24 0.17 0.16 -0.47 0.23 0.00 0.00 176.35 176.68 2cqb s TYR 9 N -1.31 3.30 -0.12 0.29 6.14 0.11 -1.28 117.35 124.49 2cqb s TYR 9 Ca 0.35 0.20 -0.02 0.00 0.64 0.00 0.00 57.07 58.24 2cqb s TYR 9 Cb -0.17 -2.27 -0.03 0.00 0.42 0.00 0.00 41.96 39.90 2cqb s TYR 9 CO 0.20 0.04 -0.04 0.08 0.64 0.00 0.00 175.55 176.47 2cqb s VAL 10 N 1.11 3.91 0.25 3.14 1.01 -0.19 -1.94 120.40 127.69 2cqb s VAL 10 Ca 0.07 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2cqb s VAL 10 Cb -0.14 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2cqb s VAL 10 CO 0.05 0.54 0.09 -0.83 0.00 0.00 0.00 175.10 174.95 2cqb s GLY 11 N -0.17 1.71 -0.82 4.51 0.00 0.82 -1.57 107.32 111.80 2cqb s GLY 11 Ca 0.03 -1.85 -0.02 0.00 0.00 0.00 0.00 44.72 42.88 2cqb s GLY 11 CO 0.02 -1.59 0.28 0.61 0.00 0.00 0.00 173.10 172.43 2cqb n GLY 12 N -0.45 0.04 3.96 0.20 0.00 -0.93 -1.59 105.19 106.42 2cqb n GLY 12 Ca -0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.62 2.82 0.00 0.99 1.43 -1.15 -4.47 118.68 114.67 2cqb s LEU 13 Ca 0.14 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2cqb s LEU 13 Cb -0.06 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.11 2cqb s LEU 13 CO 0.17 -2.44 0.27 0.00 0.23 0.00 0.00 176.35 174.58 2cqb n ALA 14 N -3.42 0.48 0.17 4.21 0.00 -1.26 -4.81 120.51 115.88 2cqb n ALA 14 Ca 0.16 -1.05 0.08 0.00 0.00 0.00 0.00 53.44 52.63 2cqb n ALA 14 Cb 0.60 0.38 0.09 0.00 0.00 0.00 0.00 19.45 20.52 2cqb n ALA 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cqb h GLU 15 N 0.00 0.00 -0.00 0.00 4.57 -1.94 -3.21 114.58 113.99 2cqb h GLU 15 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2cqb h GLU 15 Cb 0.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2cqb h GLU 15 CO 0.24 0.17 -0.58 0.39 -1.18 0.00 0.00 179.01 178.04 2cqb n GLU 16 N -3.06 0.43 -2.96 1.92 -0.58 -1.26 -4.86 120.64 110.27 2cqb n GLU 16 Ca 0.02 -0.31 -0.42 0.00 -0.42 0.00 0.00 57.16 56.03 2cqb n GLU 16 Cb 0.61 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.94 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2cqb s VAL 17 N -2.78 4.85 0.27 2.62 1.01 -1.21 -4.86 120.40 120.30 2cqb s VAL 17 Ca 0.15 1.32 0.03 0.00 0.00 0.00 0.00 61.98 63.48 2cqb s VAL 17 Cb 0.18 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2cqb s VAL 17 CO 0.68 -0.12 0.12 0.47 0.00 0.00 0.00 175.10 176.25 2cqb n ASP 18 N 6.02 0.74 -0.20 3.32 8.00 -1.26 -4.72 116.55 128.46 2cqb n ASP 18 Ca 0.03 -2.50 0.30 0.00 0.71 0.00 0.00 54.79 53.33 2cqb n ASP 18 Cb 0.48 0.82 0.73 0.00 -0.02 0.00 0.00 41.12 43.13 2cqb n ASP 18 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2cqb h ASP 19 N 1.19 0.00 -0.01 -2.24 3.04 -1.95 0.11 116.42 116.55 2cqb h ASP 19 Ca -0.20 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.58 2cqb h ASP 19 Cb 0.83 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.12 2cqb h ASP 19 CO 0.32 0.00 -0.04 0.07 -2.04 0.00 0.00 179.24 177.55 2cqb h LYS 20 N 0.00 0.04 -0.73 4.15 2.10 -1.97 -0.99 116.57 119.18 2cqb h LYS 20 Ca 0.44 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 59.03 2cqb h LYS 20 Cb 1.81 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 33.11 2cqb h LYS 20 CO -0.00 0.69 0.31 0.28 -2.00 0.00 0.00 179.45 178.72 2cqb h VAL 21 N -0.60 1.25 -0.35 0.07 2.07 -1.37 -2.06 116.25 115.26 2cqb h VAL 21 Ca -0.00 -0.75 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 2cqb h VAL 21 Cb 0.69 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2cqb h VAL 21 CO 0.01 0.31 -0.37 -0.07 0.02 0.00 0.00 177.57 177.46 2cqb h LEU 22 N 1.03 0.87 0.80 2.57 3.38 -0.95 -2.07 115.31 120.93 2cqb h LEU 22 Ca 0.24 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2cqb h LEU 22 Cb 0.19 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2cqb h LEU 22 CO -0.02 1.14 -0.39 -0.74 0.09 0.00 0.00 178.44 178.52 2cqb h HIS 23 N 0.68 -1.01 0.00 1.13 2.76 -0.91 0.33 115.15 118.13 2cqb h HIS 23 Ca 0.06 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2cqb h HIS 23 Cb 0.93 0.34 -0.00 0.00 1.55 0.00 0.00 27.41 30.23 2cqb h HIS 23 CO 0.05 -0.62 -0.02 0.00 -1.30 0.00 0.00 177.93 176.03 2cqb h ALA 24 N -0.87 1.16 0.00 5.26 0.00 -1.43 0.98 119.26 124.36 2cqb h ALA 24 Ca -0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2cqb h ALA 24 Cb 0.83 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2cqb h ALA 24 CO 0.17 0.03 -0.78 0.00 0.00 0.00 0.00 179.25 178.67 2cqb h ALA 25 N 1.98 0.67 -0.05 0.00 0.00 -0.82 -3.32 119.26 117.71 2cqb h ALA 25 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2cqb h ALA 25 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2cqb h ALA 25 CO 0.00 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.68 2cqb n PHE 26 N -2.88 0.05 0.14 0.00 3.01 0.11 -4.57 117.46 113.32 2cqb n PHE 26 Ca -0.01 -0.07 0.06 0.00 1.01 0.00 0.00 57.45 58.45 2cqb n PHE 26 Cb 0.62 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.63 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 1.71 1.04 0.93 4.37 6.09 0.82 -3.04 117.51 129.42 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 0.41 0.77 0.01 0.00 0.47 0.00 0.00 36.82 38.48 2cqb h ILE 27 CO 0.00 0.04 -0.45 -0.65 -3.07 0.00 0.00 178.15 174.03 2cqb h PRO 28 N 0.25 -1.20 0.00 2.19 0.11 -1.81 -3.31 132.00 128.22 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 0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2cqb h PRO 28 CO -0.02 -0.80 0.00 1.19 -0.21 0.00 0.00 178.00 178.17 2cqb n PHE 29 N -5.62 0.00 -1.43 0.65 3.72 -1.15 -4.86 117.46 108.76 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 0.49 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 5.51 3.08 1.37 0.00 -1.25 -4.97 105.19 107.96 2cqb n GLY 30 Ca 0.00 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 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 1.00 5.66 -0.05 1.61 1.11 -1.26 -4.66 116.67 120.08 2cqb s ASP 31 Ca 0.00 -3.52 -0.40 0.00 0.18 0.00 0.00 52.55 48.81 2cqb s ASP 31 Cb 0.00 -1.86 -0.19 0.00 1.07 0.00 0.00 42.92 41.94 2cqb s ASP 31 CO 0.00 -0.22 1.22 -0.38 1.18 0.00 0.00 175.17 176.97 2cqb n ILE 32 N 2.58 0.01 -0.03 0.77 5.41 -1.26 -3.37 119.36 123.47 2cqb n ILE 32 Ca 0.18 -0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.72 2cqb n ILE 32 Cb 0.37 -0.29 -0.13 0.00 -0.71 0.00 0.00 39.64 38.88 2cqb n ILE 32 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2cqb n THR 33 N 2.13 1.70 -3.52 1.39 -2.24 -1.20 -4.89 114.28 107.64 2cqb n THR 33 Ca 0.21 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 2cqb n THR 33 Cb 0.09 -1.66 -0.02 0.00 -2.10 0.00 0.00 70.33 66.65 2cqb n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cqb s ASP 34 N -6.90 -0.45 -0.02 3.42 -1.08 -1.26 -5.05 116.67 105.33 2cqb s ASP 34 Ca -0.26 -0.11 -0.03 0.00 -0.52 0.00 0.00 52.55 51.63 2cqb s ASP 34 Cb 0.07 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 42.09 2cqb s ASP 34 CO 0.72 -0.93 0.06 -0.63 0.52 0.00 0.00 175.17 174.91 2cqb s ILE 35 N -3.58 0.02 -0.06 4.11 1.01 -1.26 -1.23 121.20 120.21 2cqb s ILE 35 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.57 2cqb s ILE 35 Cb -0.02 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 2cqb s ILE 35 CO -0.08 -0.10 -0.22 -1.10 0.00 0.00 0.00 174.94 173.44 2cqb s GLN 36 N -0.28 2.38 -0.17 2.79 1.11 -0.55 -5.03 119.66 119.92 2cqb s GLN 36 Ca -0.03 -0.80 0.01 0.00 0.01 0.00 0.00 55.36 54.54 2cqb s GLN 36 Cb -0.02 -1.99 0.01 0.00 -1.01 0.00 0.00 33.01 30.00 2cqb s GLN 36 CO 0.00 0.30 -0.18 0.42 0.01 0.00 0.00 175.29 175.85 2cqb s ILE 37 N -0.01 2.37 -0.57 1.08 -1.09 -1.26 -1.73 121.20 119.99 2cqb s ILE 37 Ca -0.06 -0.86 -0.27 0.00 -2.23 0.00 0.00 60.65 57.23 2cqb s ILE 37 Cb -0.14 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.73 2cqb s ILE 37 CO 0.04 0.52 1.83 -2.16 -1.23 0.00 0.00 174.94 173.95 2cqb s PRO 38 N 1.05 2.76 0.22 2.79 0.04 -1.26 -4.97 135.00 135.63 2cqb s PRO 38 Ca -0.01 0.73 0.08 0.00 0.04 0.00 0.00 61.00 61.84 2cqb s PRO 38 Cb -0.14 -4.35 -0.05 0.00 0.04 0.00 0.00 34.50 30.00 2cqb s PRO 38 CO -0.05 -2.57 -0.14 -0.51 0.04 0.00 0.00 177.00 173.76 2cqb s LEU 39 N 8.64 2.55 0.61 -3.56 1.43 -1.26 -3.90 118.68 123.19 2cqb s LEU 39 Ca 0.69 -1.04 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2cqb s LEU 39 Cb -0.14 -0.71 0.07 0.00 0.03 0.00 0.00 46.19 45.44 2cqb s LEU 39 CO 0.23 -0.17 0.84 -0.62 0.23 0.00 0.00 176.35 176.87 2cqb s ASP 40 N -3.35 4.95 0.00 2.29 2.15 -1.26 -4.87 116.67 116.58 2cqb s ASP 40 Ca 0.24 -0.23 0.24 0.00 0.43 0.00 0.00 52.55 53.23 2cqb s ASP 40 Cb -0.01 -0.45 0.33 0.00 -0.30 0.00 0.00 42.92 42.49 2cqb s ASP 40 CO 0.08 -1.40 1.31 0.00 -0.17 0.00 0.00 175.17 174.99 2cqb n TYR 41 N -2.49 0.00 -0.08 -5.34 4.11 -1.26 -2.26 117.16 109.85 2cqb n TYR 41 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.87 2cqb n TYR 41 Cb 0.60 -0.04 -0.06 0.00 -0.00 0.00 0.00 39.34 39.84 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 -0.02 0.35 -0.07 -3.48 1.02 -1.26 -4.79 120.64 112.39 2cqb n GLU 42 Ca 0.12 0.12 -0.08 0.00 -0.02 0.00 0.00 57.16 57.30 2cqb n GLU 42 Cb 0.44 -1.17 -0.11 0.00 -0.02 0.00 0.00 31.44 30.58 2cqb n GLU 42 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2cqb n THR 43 N -3.37 1.00 -3.18 2.62 -2.24 -1.26 -5.01 114.28 102.84 2cqb n THR 43 Ca -0.29 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.66 2cqb n THR 43 Cb 0.75 -0.66 0.05 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.58 -5.79 -4.56 -0.78 1.02 -0.96 -4.88 120.64 102.11 2cqb n GLU 44 Ca -0.25 0.89 -0.30 0.00 -0.02 0.00 0.00 57.16 57.49 2cqb n GLU 44 Cb 0.96 -5.80 -0.13 0.00 -0.02 0.00 0.00 31.44 26.45 2cqb n GLU 44 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2cqb s LYS 45 N -5.87 1.75 0.17 3.49 1.02 -1.26 -4.64 119.74 114.40 2cqb s LYS 45 Ca 0.38 -1.16 -0.10 0.00 0.02 0.00 0.00 55.97 55.11 2cqb s LYS 45 Cb -0.17 -2.04 -0.07 0.00 -0.52 0.00 0.00 37.83 35.03 2cqb s LYS 45 CO 0.48 0.49 0.50 -3.38 -0.92 0.00 0.00 175.35 172.52 2cqb s HIS 46 N -0.98 3.50 0.12 3.18 -3.43 -1.25 -4.01 115.29 112.42 2cqb s HIS 46 Ca 0.15 0.87 -0.00 0.00 -0.80 0.00 0.00 55.06 55.27 2cqb s HIS 46 Cb -0.10 -2.24 -0.14 0.00 -1.43 0.00 0.00 32.58 28.67 2cqb s HIS 46 CO 0.06 0.37 1.27 -0.09 -2.00 0.00 0.00 174.74 174.35 2cqb h ARG 47 N 3.02 0.23 0.00 -0.38 1.12 -1.97 -3.47 114.38 112.93 2cqb h ARG 47 Ca -0.48 -0.31 0.00 0.00 -1.11 0.00 0.00 59.98 58.09 2cqb h ARG 47 Cb 1.18 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.24 2cqb h ARG 47 CO 0.68 1.07 0.00 0.41 -3.11 0.00 0.00 179.97 179.03 2cqb n GLY 48 N 1.17 -0.08 3.59 2.80 0.00 -1.26 -4.95 105.19 106.47 2cqb n GLY 48 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.15 0.24 1.61 -0.71 -1.26 -2.20 117.98 115.51 2cqb s PHE 49 Ca 0.00 0.08 -0.21 0.00 -1.04 0.00 0.00 56.93 55.76 2cqb s PHE 49 Cb 0.00 0.52 0.07 0.00 -1.21 0.00 0.00 43.02 42.40 2cqb s PHE 49 CO 0.00 -0.26 0.95 0.00 -1.34 0.00 0.00 175.22 174.57 2cqb s ALA 50 N -2.52 -1.35 -0.05 1.99 0.00 -0.61 -4.32 121.76 114.90 2cqb s ALA 50 Ca 0.09 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.70 2cqb s ALA 50 Cb -0.01 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2cqb s ALA 50 CO -0.05 -1.04 -0.21 -0.06 0.00 0.00 0.00 175.76 174.40 2cqb s PHE 51 N -2.38 2.10 -0.06 0.00 0.08 -0.71 -1.03 117.98 115.99 2cqb s PHE 51 Ca 0.19 -0.62 0.05 0.00 0.12 0.00 0.00 56.93 56.66 2cqb s PHE 51 Cb -0.03 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 2cqb s PHE 51 CO 0.07 -0.20 -0.22 0.08 -0.10 0.00 0.00 175.22 174.85 2cqb s VAL 52 N -0.06 1.81 0.12 -0.44 1.01 -0.40 -1.48 120.40 120.96 2cqb s VAL 52 Ca -0.04 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 2cqb s VAL 52 Cb -0.13 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 2cqb s VAL 52 CO 0.03 0.51 0.41 -1.61 0.00 0.00 0.00 175.10 174.44 2cqb s GLU 53 N 0.03 3.71 -0.12 2.72 2.02 -0.36 -0.43 118.70 126.27 2cqb s GLU 53 Ca -0.07 0.09 0.03 0.00 0.02 0.00 0.00 54.97 55.04 2cqb s GLU 53 Cb -0.14 -2.90 0.01 0.00 0.10 0.00 0.00 34.13 31.20 2cqb s GLU 53 CO 0.04 0.50 -0.21 -0.06 0.02 0.00 0.00 175.26 175.54 2cqb s PHE 54 N -1.54 2.53 0.32 1.61 0.40 -1.18 -3.28 117.98 116.84 2cqb s PHE 54 Ca 0.38 -1.20 0.08 0.00 -0.60 0.00 0.00 56.93 55.59 2cqb s PHE 54 Cb -0.13 -1.72 0.93 0.00 0.51 0.00 0.00 43.02 42.61 2cqb s PHE 54 CO 0.21 -0.54 1.60 1.49 0.70 0.00 0.00 175.22 178.69 2cqb h GLU 55 N 7.16 0.09 -5.25 0.44 4.57 -1.90 -3.42 114.58 116.28 2cqb h GLU 55 Ca -0.29 -0.01 -0.67 0.00 -1.18 0.00 0.00 59.36 57.22 2cqb h GLU 55 Cb 1.20 -0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.64 2cqb h GLU 55 CO 0.52 0.06 -0.53 -0.51 -1.18 0.00 0.00 179.01 177.38 2cqb s LEU 56 N -10.72 2.35 -0.17 1.64 1.43 -1.26 -5.08 118.68 106.88 2cqb s LEU 56 Ca -0.11 -1.62 -0.15 0.00 -1.03 0.00 0.00 54.13 51.21 2cqb s LEU 56 Cb 0.29 -0.71 -0.12 0.00 0.03 0.00 0.00 46.19 45.69 2cqb s LEU 56 CO 0.78 -0.80 0.08 0.00 0.23 0.00 0.00 176.35 176.63 2cqb h ALA 57 N 1.44 0.12 -0.32 4.21 0.00 -1.97 -3.35 119.26 119.39 2cqb h ALA 57 Ca -0.43 -0.78 0.03 0.00 0.00 0.00 0.00 54.91 53.72 2cqb h ALA 57 Cb 1.30 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 2cqb h ALA 57 CO 0.74 0.52 -0.22 0.93 0.00 0.00 0.00 179.25 181.22 2cqb h GLU 58 N -1.00 -0.04 -0.95 0.00 4.39 -1.98 0.55 114.58 115.56 2cqb h GLU 58 Ca -0.16 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.73 2cqb h GLU 58 Cb 0.86 0.01 -0.18 0.00 -0.10 0.00 0.00 28.75 29.34 2cqb h GLU 58 CO -0.09 -0.03 -0.24 0.38 -1.16 0.00 0.00 179.01 177.86 2cqb h ASP 59 N -0.04 -0.91 -0.29 1.42 2.03 -1.94 0.17 116.42 116.86 2cqb h ASP 59 Ca 0.05 0.28 0.07 0.00 -0.73 0.00 0.00 57.03 56.70 2cqb h ASP 59 Cb 0.18 0.59 -0.08 0.00 -0.83 0.00 0.00 39.33 39.19 2cqb h ASP 59 CO -0.32 -0.31 -0.31 0.00 -1.03 0.00 0.00 179.24 177.26 2cqb h ALA 60 N 1.91 -0.24 -0.85 4.15 0.00 -1.05 -0.12 119.26 123.06 2cqb h ALA 60 Ca 0.45 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.56 2cqb h ALA 60 Cb 0.69 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 2cqb h ALA 60 CO -0.97 -0.74 0.46 0.00 0.00 0.00 0.00 179.25 178.00 2cqb h ALA 61 N 0.66 1.26 -0.21 0.00 0.00 0.07 0.58 119.26 121.61 2cqb h ALA 61 Ca 0.14 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2cqb h ALA 61 Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2cqb h ALA 61 CO -0.46 -0.02 -0.09 0.00 0.00 0.00 0.00 179.25 178.68 2cqb h ALA 62 N 1.53 1.45 -0.47 0.00 0.00 -0.37 -2.38 119.26 119.03 2cqb h ALA 62 Ca 0.45 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2cqb h ALA 62 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2cqb h ALA 62 CO -0.32 0.39 -0.22 0.00 0.00 0.00 0.00 179.25 179.09 2cqb h ALA 63 N 1.59 0.72 0.56 0.00 0.00 0.79 -2.98 119.26 119.94 2cqb h ALA 63 Ca 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2cqb h ALA 63 Cb 0.37 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2cqb h ALA 63 CO 0.02 0.67 -0.27 0.82 0.00 0.00 0.00 179.25 180.49 2cqb h ILE 64 N 0.83 0.28 -0.62 0.00 2.04 -1.01 0.53 117.51 119.55 2cqb h ILE 64 Ca 0.11 -0.37 0.18 0.00 1.00 0.00 0.00 64.86 65.78 2cqb h ILE 64 Cb 0.79 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2cqb h ILE 64 CO 0.07 0.04 0.71 -0.78 0.00 0.00 0.00 178.15 178.18 2cqb h ASP 65 N -1.04 0.00 0.00 1.72 3.58 -1.50 0.36 116.42 119.54 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 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2cqb h ASP 65 CO 0.13 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.08 2cqb n ASN 66 N -3.54 0.00 -0.57 2.28 3.02 -1.07 -4.42 115.26 110.96 2cqb n ASN 66 Ca 0.13 0.07 0.47 0.00 -0.03 0.00 0.00 54.58 55.22 2cqb n ASN 66 Cb 0.93 -0.28 0.79 0.00 -0.61 0.00 0.00 39.78 40.60 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 -6.05 3.52 2.86 0.13 -3.39 114.93 112.01 2cqb h MET 67 Ca 0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 2cqb h MET 67 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2cqb h MET 67 CO 0.00 0.00 1.29 -1.71 1.06 0.00 0.00 176.91 177.55 2cqb n ASN 68 N -3.96 2.25 -3.49 1.22 2.85 0.12 -0.23 115.26 114.02 2cqb n ASN 68 Ca 0.38 0.60 -0.22 0.00 -0.11 0.00 0.00 54.58 55.22 2cqb n ASN 68 Cb 1.76 -1.23 0.08 0.00 1.24 0.00 0.00 39.78 41.63 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 7.50 -7.61 -1.82 1.20 1.02 -0.40 -4.92 120.64 115.61 2cqb n GLU 69 Ca 0.37 0.81 -0.19 0.00 -0.02 0.00 0.00 57.16 58.13 2cqb n GLU 69 Cb 0.21 -5.79 0.11 0.00 -0.02 0.00 0.00 31.44 25.95 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 -2.91 0.66 -4.13 1.62 7.64 0.68 -4.77 113.62 112.41 2cqb n SER 70 Ca -0.02 -1.66 -0.35 0.00 1.01 0.00 0.00 58.87 57.84 2cqb n SER 70 Cb 0.57 -0.58 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 -4.67 2.09 -0.13 1.43 2.12 -1.26 -2.36 118.70 115.93 2cqb s GLU 71 Ca 0.51 -1.63 0.02 0.00 0.36 0.00 0.00 54.97 54.23 2cqb s GLU 71 Cb -0.02 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.98 2cqb s GLU 71 CO 0.35 -0.90 -0.18 -1.17 -0.54 0.00 0.00 175.26 172.82 2cqb s LEU 72 N 1.15 1.89 -1.45 2.70 2.96 0.95 -4.69 118.68 122.19 2cqb s LEU 72 Ca 0.04 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2cqb s LEU 72 Cb -0.21 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.23 2cqb s LEU 72 CO -0.03 0.03 0.43 0.49 -1.32 0.00 0.00 176.35 175.95 2cqb n PHE 73 N 4.22 -1.57 -1.26 5.38 3.01 -1.26 -1.49 117.46 124.48 2cqb n PHE 73 Ca -0.19 0.37 -0.09 0.00 1.01 0.00 0.00 57.45 58.54 2cqb n PHE 73 Cb 0.51 -4.05 -0.04 0.00 -0.01 0.00 0.00 39.48 35.89 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 -1.35 1.06 3.06 1.37 0.00 -1.26 -4.99 105.19 103.07 2cqb n GLY 74 Ca -0.13 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.62 0.53 0.24 1.61 1.70 -0.56 -5.13 118.95 114.72 2cqb s ARG 75 Ca 0.00 -0.88 -0.26 0.00 -0.47 0.00 0.00 55.73 54.12 2cqb s ARG 75 Cb 0.00 -0.08 -0.09 0.00 -0.57 0.00 0.00 34.95 34.21 2cqb s ARG 75 CO 0.00 -0.02 0.87 0.99 -1.08 0.00 0.00 175.30 176.06 2cqb s THR 76 N -2.16 4.26 0.24 4.99 2.01 -1.26 -0.04 115.64 123.68 2cqb s THR 76 Ca -0.06 1.80 0.08 0.00 0.31 0.00 0.00 61.69 63.83 2cqb s THR 76 Cb -0.05 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 2cqb s THR 76 CO -0.02 0.37 -0.12 0.27 -0.69 0.00 0.00 174.62 174.43 2cqb s ILE 77 N -1.33 1.80 -0.12 1.82 -4.36 -0.99 -4.70 121.20 113.31 2cqb s ILE 77 Ca 0.42 -2.21 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 2cqb s ILE 77 Cb -0.22 -2.20 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 2cqb s ILE 77 CO 0.27 -0.48 -0.18 -0.13 0.24 0.00 0.00 174.94 174.66 2cqb s ARG 78 N -3.65 3.22 -0.06 0.37 3.00 -0.62 -1.28 118.95 119.93 2cqb s ARG 78 Ca 0.26 -0.78 0.04 0.00 0.00 0.00 0.00 55.73 55.25 2cqb s ARG 78 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 34.95 32.46 2cqb s ARG 78 CO 0.09 0.18 -0.18 0.08 0.00 0.00 0.00 175.30 175.47 2cqb s VAL 79 N 0.40 1.50 0.04 3.52 1.01 -1.26 -0.13 120.40 125.48 2cqb s VAL 79 Ca -0.14 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 2cqb s VAL 79 Cb -0.17 -1.30 0.09 0.00 0.00 0.00 0.00 36.38 35.00 2cqb s VAL 79 CO 0.06 0.43 1.01 0.21 0.00 0.00 0.00 175.10 176.82 2cqb s ASN 80 N 0.21 -0.22 0.20 3.32 2.47 -0.82 -4.59 114.94 115.51 2cqb s ASN 80 Ca -0.09 -0.18 -0.32 0.00 0.42 0.00 0.00 52.86 52.69 2cqb s ASN 80 Cb -0.14 0.37 -0.14 0.00 -1.45 0.00 0.00 41.25 39.89 2cqb s ASN 80 CO 0.04 -0.64 1.43 0.18 -3.72 0.00 0.00 177.10 174.38 2cqb n LEU 81 N -0.35 2.85 -4.62 3.21 4.77 -1.26 0.07 117.00 121.67 2cqb n LEU 81 Ca -0.07 1.12 -0.48 0.00 -0.03 0.00 0.00 56.01 56.56 2cqb n LEU 81 Cb 0.61 -1.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.27 2cqb n LEU 81 CO 0.12 -0.55 0.89 0.00 -1.33 0.00 0.00 177.39 176.52 2cqb n ALA 82 N 2.32 0.03 -1.67 -1.18 0.00 -1.03 -4.67 120.51 114.31 2cqb n ALA 82 Ca 0.14 0.45 -0.38 0.00 0.00 0.00 0.00 53.44 53.65 2cqb n ALA 82 Cb 0.29 -2.15 0.05 0.00 0.00 0.00 0.00 19.45 17.64 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 2.13 1.17 -2.10 0.00 2.85 -1.26 -4.83 118.16 116.12 2cqb n LYS 83 Ca 0.15 0.44 -0.43 0.00 -1.05 0.00 0.00 58.31 57.42 2cqb n LYS 83 Cb 0.26 -2.32 -0.03 0.00 -0.65 0.00 0.00 35.03 32.30 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 -2.83 3.62 -0.04 -1.58 0.04 -1.26 -4.98 135.00 127.96 2cqb s PRO 84 Ca 0.75 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 2cqb s PRO 84 Cb -0.42 -4.09 0.03 0.00 0.04 0.00 0.00 34.50 30.06 2cqb s PRO 84 CO 0.47 -1.51 0.05 1.41 0.04 0.00 0.00 177.00 177.46 2cqb s MET 85 N 5.03 0.04 -0.07 4.56 1.75 -1.26 -5.14 119.30 124.21 2cqb s MET 85 Ca 0.73 0.32 -0.16 0.00 -1.25 0.00 0.00 55.69 55.32 2cqb s MET 85 Cb -0.23 -0.56 0.03 0.00 2.84 0.00 0.00 34.83 36.92 2cqb s MET 85 CO 0.31 -0.31 0.39 -0.98 -0.65 0.00 0.00 175.02 173.78 2cqb s ARG 86 N 2.02 0.64 -0.19 4.11 1.70 -1.26 -5.06 118.95 120.92 2cqb s ARG 86 Ca 0.03 0.15 0.17 0.00 -0.47 0.00 0.00 55.73 55.62 2cqb s ARG 86 Cb -0.12 0.29 0.46 0.00 -0.57 0.00 0.00 34.95 35.01 2cqb s ARG 86 CO -0.03 -0.15 1.17 0.44 -1.08 0.00 0.00 175.30 175.65 2cqb n ILE 87 N 1.84 1.45 -0.69 4.99 -5.35 -1.26 -4.81 119.36 115.53 2cqb n ILE 87 Ca -0.18 -2.80 -0.16 0.00 -0.27 0.00 0.00 62.75 59.34 2cqb n ILE 87 Cb 0.57 0.29 0.16 0.00 -1.74 0.00 0.00 39.64 38.91 2cqb n ILE 87 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2cqb n LYS 88 N -0.46 2.18 -2.77 6.28 3.00 -1.26 -4.82 118.16 120.31 2cqb n LYS 88 Ca 0.18 -2.33 -0.43 0.00 -0.00 0.00 0.00 58.31 55.73 2cqb n LYS 88 Cb 0.91 -1.93 -0.01 0.00 0.00 0.00 0.00 35.03 34.00 2cqb n LYS 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2cqb s GLU 89 N -2.52 3.86 0.03 1.64 2.12 -1.26 -4.89 118.70 117.68 2cqb s GLU 89 Ca 0.44 -1.97 -0.28 0.00 0.36 0.00 0.00 54.97 53.51 2cqb s GLU 89 Cb 0.36 -5.22 0.10 0.00 0.26 0.00 0.00 34.13 29.63 2cqb s GLU 89 CO 0.09 -1.99 1.08 -1.12 -0.54 0.00 0.00 175.26 172.78 2cqb s SER 90 N 3.79 -0.17 0.50 -1.70 0.01 -1.26 -5.16 113.70 109.72 2cqb s SER 90 Ca 0.44 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2cqb s SER 90 Cb -0.01 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2cqb s SER 90 CO -0.02 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2cqb n GLY 91 N -0.39 -4.12 0.17 3.44 0.00 -1.26 -4.98 105.19 98.04 2cqb n GLY 91 Ca -0.07 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.90 -1.12 -3.54 1.61 -0.04 -1.26 -5.11 135.00 123.65 2cqb n PRO 92 Ca 0.00 -0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.30 2cqb n PRO 92 Cb 0.27 -0.08 -0.02 0.00 -0.04 0.00 0.00 33.50 33.63 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 -1.65 -0.34 -0.23 3.54 0.01 -1.26 -5.18 113.70 108.58 2cqb s SER 93 Ca 0.03 -0.06 -0.26 0.00 1.31 0.00 0.00 55.95 56.97 2cqb s SER 93 Cb -0.00 0.40 0.10 0.00 0.21 0.00 0.00 66.02 66.73 2cqb s SER 93 CO 0.03 -0.67 0.88 -0.44 0.41 0.00 0.00 173.24 173.45 2cqb s SER 94 N -2.55 -0.57 0.00 2.44 0.01 -1.26 -5.32 113.70 106.45 2cqb s SER 94 Ca 0.06 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2cqb s SER 94 Cb -0.01 0.95 0.00 0.00 0.21 0.00 0.00 66.02 67.17 2cqb s SER 94 CO -0.08 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.91