#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 0.21 -0.48 1.61 0.15 -1.26 -5.06 113.70 108.87 2cqb s SER -5 Ca 0.00 -1.12 0.03 0.00 0.70 0.00 0.00 55.95 55.56 2cqb s SER -5 Cb 0.00 0.72 0.44 0.00 -1.71 0.00 0.00 66.02 65.47 2cqb s SER -5 CO 0.00 -1.40 1.53 -1.20 1.20 0.00 0.00 173.24 173.37 2cqb n SER -4 N -1.03 6.04 -0.80 5.45 7.64 -1.26 -5.08 113.62 124.58 2cqb n SER -4 Ca -0.03 -3.77 0.03 0.00 1.01 0.00 0.00 58.87 56.11 2cqb n SER -4 Cb 0.61 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 2cqb n SER -4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqb n GLY -3 N -0.74 -0.81 3.64 0.23 0.00 -1.26 -4.95 105.19 101.29 2cqb n GLY -3 Ca 0.50 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 2cqb n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqb s SER -2 N -4.31 -0.69 0.17 1.61 1.04 -1.26 -5.18 113.70 105.09 2cqb s SER -2 Ca 0.00 1.21 -0.20 0.00 0.48 0.00 0.00 55.95 57.45 2cqb s SER -2 Cb 0.00 1.25 0.05 0.00 0.10 0.00 0.00 66.02 67.42 2cqb s SER -2 CO 0.00 -0.20 0.55 -0.44 0.98 0.00 0.00 173.24 174.12 2cqb s SER -1 N 0.83 -0.39 0.00 7.02 0.01 -1.26 -5.06 113.70 114.85 2cqb s SER -1 Ca -0.03 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2cqb s SER -1 Cb -0.05 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2cqb s SER -1 CO -0.09 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.17 2cqb n GLY 0 N -0.34 0.55 2.55 3.44 0.00 -1.26 -5.05 105.19 105.08 2cqb n GLY 0 Ca -0.14 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2cqb n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2cqb n MET 1 N 0.00 3.64 -0.08 1.61 3.85 -1.26 -4.51 117.12 120.38 2cqb n MET 1 Ca 0.00 -3.17 -0.22 0.00 -1.00 0.00 0.00 57.70 53.31 2cqb n MET 1 Cb 0.00 -2.38 -0.12 0.00 -1.05 0.00 0.00 33.22 29.67 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 0.94 0.82 -1.76 3.17 0.00 -1.26 -4.94 120.51 117.48 2cqb n ALA 2 Ca 0.54 -0.53 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 2cqb n ALA 2 Cb 0.37 -0.58 0.01 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.42 4.38 0.16 0.00 -4.23 -1.26 -4.97 115.64 107.30 2cqb s THR 3 Ca -0.27 0.88 -0.34 0.00 -1.18 0.00 0.00 61.69 60.78 2cqb s THR 3 Cb 0.06 -3.66 -0.13 0.00 1.34 0.00 0.00 72.50 70.11 2cqb s THR 3 CO 0.64 -0.91 1.62 0.41 -0.54 0.00 0.00 174.62 175.84 2cqb n THR 4 N -2.54 0.04 -1.60 3.99 -1.04 -1.26 -4.89 114.28 106.98 2cqb n THR 4 Ca 0.07 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.73 2cqb n THR 4 Cb 0.54 -1.63 0.06 0.00 -1.82 0.00 0.00 70.33 67.48 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 3.70 2.84 -0.10 -2.82 5.02 -1.26 -4.46 118.16 121.09 2cqb n LYS 5 Ca 0.17 -3.50 -0.17 0.00 -2.02 0.00 0.00 58.31 52.79 2cqb n LYS 5 Cb 0.30 -2.28 -0.08 0.00 -0.02 0.00 0.00 35.03 32.95 2cqb n LYS 5 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2cqb n ARG 6 N -0.79 0.45 -2.96 1.97 5.12 -1.26 -4.42 116.66 114.78 2cqb n ARG 6 Ca 0.58 0.15 -0.43 0.00 -1.93 0.00 0.00 57.85 56.21 2cqb n ARG 6 Cb 0.59 -1.30 -0.05 0.00 -1.16 0.00 0.00 32.46 30.54 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 -2.37 4.57 0.19 1.55 1.01 -1.26 -1.99 120.40 122.11 2cqb s VAL 7 Ca -0.27 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 2cqb s VAL 7 Cb 0.09 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 2cqb s VAL 7 CO 0.40 -0.97 0.66 -0.76 0.00 0.00 0.00 175.10 174.43 2cqb s LEU 8 N 3.45 4.35 -0.25 3.92 1.43 0.14 -2.40 118.68 129.32 2cqb s LEU 8 Ca 0.25 1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 54.57 2cqb s LEU 8 Cb -0.15 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2cqb s LEU 8 CO 0.17 0.07 0.10 -0.47 0.23 0.00 0.00 176.35 176.45 2cqb s TYR 9 N -1.49 3.13 -0.10 0.29 6.14 0.11 -1.39 117.35 124.04 2cqb s TYR 9 Ca 0.41 -0.26 -0.04 0.00 0.64 0.00 0.00 57.07 57.83 2cqb s TYR 9 Cb -0.16 -2.27 -0.04 0.00 0.42 0.00 0.00 41.96 39.92 2cqb s TYR 9 CO 0.20 -0.28 0.04 0.08 0.64 0.00 0.00 175.55 176.24 2cqb s VAL 10 N 1.58 4.66 0.22 3.14 1.01 -0.81 -1.65 120.40 128.55 2cqb s VAL 10 Ca 0.06 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2cqb s VAL 10 Cb -0.15 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2cqb s VAL 10 CO 0.05 0.60 0.08 -0.83 0.00 0.00 0.00 175.10 175.00 2cqb s GLY 11 N -0.84 1.52 -1.12 4.51 0.00 0.20 -1.72 107.32 109.86 2cqb s GLY 11 Ca 0.13 -1.75 -0.07 0.00 0.00 0.00 0.00 44.72 43.03 2cqb s GLY 11 CO 0.03 -1.53 0.98 0.61 0.00 0.00 0.00 173.10 173.18 2cqb n GLY 12 N -0.36 -0.29 3.88 0.20 0.00 0.11 -0.82 105.19 107.92 2cqb n GLY 12 Ca -0.02 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.20 3.70 0.00 0.99 1.43 -1.07 -4.20 118.68 113.33 2cqb s LEU 13 Ca 0.47 1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 54.53 2cqb s LEU 13 Cb -0.21 -4.06 0.24 0.00 0.03 0.00 0.00 46.19 42.19 2cqb s LEU 13 CO 0.60 -0.51 1.20 0.00 0.23 0.00 0.00 176.35 177.88 2cqb n ALA 14 N -1.71 -1.97 1.05 4.21 0.00 -1.26 -4.64 120.51 116.19 2cqb n ALA 14 Ca 0.03 -1.62 0.13 0.00 0.00 0.00 0.00 53.44 51.97 2cqb n ALA 14 Cb 0.54 -0.09 0.39 0.00 0.00 0.00 0.00 19.45 20.30 2cqb n ALA 14 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2cqb n GLU 15 N -3.96 0.11 -0.06 0.00 0.28 -1.26 -3.72 120.64 112.03 2cqb n GLU 15 Ca 0.15 -0.05 -0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2cqb n GLU 15 Cb 0.55 -1.50 -0.16 0.00 1.43 0.00 0.00 31.44 31.76 2cqb n GLU 15 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cqb n GLU 16 N -1.40 0.71 -2.14 3.44 1.02 -1.26 -4.96 120.64 116.05 2cqb n GLU 16 Ca 0.07 -0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 2cqb n GLU 16 Cb 0.33 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2cqb s VAL 17 N -2.95 2.84 0.31 2.62 1.01 -1.24 -4.90 120.40 118.08 2cqb s VAL 17 Ca -0.09 0.80 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 2cqb s VAL 17 Cb 0.10 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.99 2cqb s VAL 17 CO 0.85 0.17 0.67 -0.62 0.00 0.00 0.00 175.10 176.17 2cqb s ASP 18 N -0.24 -0.05 0.32 3.32 2.15 -1.26 -4.84 116.67 116.06 2cqb s ASP 18 Ca 0.51 -0.90 0.20 0.00 0.43 0.00 0.00 52.55 52.80 2cqb s ASP 18 Cb -0.39 0.73 1.13 0.00 -0.30 0.00 0.00 42.92 44.09 2cqb s ASP 18 CO 0.48 -1.40 1.27 -0.67 -0.17 0.00 0.00 175.17 174.69 2cqb n ASP 19 N -0.79 0.24 0.39 -0.34 2.03 -1.26 0.18 116.55 117.01 2cqb n ASP 19 Ca -0.04 1.27 -0.16 0.00 0.52 0.00 0.00 54.79 56.38 2cqb n ASP 19 Cb 0.60 -0.62 -0.07 0.00 -0.72 0.00 0.00 41.12 40.31 2cqb n ASP 19 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2cqb h LYS 20 N 0.00 -0.98 -0.32 -0.67 1.57 -1.97 -0.66 116.57 113.55 2cqb h LYS 20 Ca 0.70 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.58 2cqb h LYS 20 Cb 1.99 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 34.48 2cqb h LYS 20 CO -0.54 -0.65 0.10 0.28 -0.57 0.00 0.00 179.45 178.08 2cqb h VAL 21 N -1.18 0.90 -0.54 0.50 2.07 -0.61 -0.68 116.25 116.71 2cqb h VAL 21 Ca -0.10 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.41 2cqb h VAL 21 Cb 0.78 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2cqb h VAL 21 CO 0.17 0.04 0.36 -0.07 0.02 0.00 0.00 177.57 178.10 2cqb h LEU 22 N 0.24 0.40 -0.06 2.57 3.38 -0.77 0.68 115.31 121.75 2cqb h LEU 22 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2cqb h LEU 22 Cb 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2cqb h LEU 22 CO -0.16 0.25 -0.17 -0.74 0.09 0.00 0.00 178.44 177.72 2cqb h HIS 23 N 0.45 0.29 0.00 1.13 2.76 -0.05 -1.21 115.15 118.51 2cqb h HIS 23 Ca 0.24 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2cqb h HIS 23 Cb 0.37 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.28 2cqb h HIS 23 CO -0.00 0.78 0.00 0.00 -1.30 0.00 0.00 177.93 177.41 2cqb n ALA 24 N -2.45 2.15 0.30 5.26 0.00 -0.36 -0.76 120.51 124.64 2cqb n ALA 24 Ca -0.08 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.41 2cqb n ALA 24 Cb 0.40 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.34 2cqb n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cqb n ALA 25 N -1.57 3.19 0.14 0.00 0.00 0.23 -4.24 120.51 118.26 2cqb n ALA 25 Ca 0.06 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 53.06 2cqb n ALA 25 Cb 0.32 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.92 2cqb n ALA 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2cqb n PHE 26 N -2.14 0.01 0.14 0.00 3.01 -0.47 -4.63 117.46 113.38 2cqb n PHE 26 Ca -0.01 -0.02 0.07 0.00 1.01 0.00 0.00 57.45 58.49 2cqb n PHE 26 Cb 0.50 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.52 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 0.69 1.03 0.93 4.37 6.09 -1.12 -3.07 117.51 126.42 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 0.17 0.78 0.01 0.00 0.47 0.00 0.00 36.82 38.24 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 0.24 -1.20 -0.21 2.19 0.11 -1.85 -3.28 132.00 127.99 2cqb h PRO 28 Ca 0.07 0.08 0.02 0.00 0.11 0.00 0.00 66.00 66.28 2cqb h PRO 28 Cb 0.01 0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 2cqb h PRO 28 CO -0.02 -0.80 -0.12 1.19 -0.21 0.00 0.00 178.00 178.04 2cqb n PHE 29 N -5.37 -0.09 0.00 0.65 3.72 -1.16 -4.85 117.46 110.35 2cqb n PHE 29 Ca -0.15 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2cqb n PHE 29 Cb 0.49 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.05 5.23 2.95 1.37 0.00 -1.24 -5.04 105.19 107.41 2cqb n GLY 30 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 1.23 4.79 -0.01 1.61 1.01 -1.26 -4.66 116.67 119.38 2cqb s ASP 31 Ca 0.00 -3.48 -0.39 0.00 0.71 0.00 0.00 52.55 49.39 2cqb s ASP 31 Cb 0.00 -1.68 -0.18 0.00 1.01 0.00 0.00 42.92 42.07 2cqb s ASP 31 CO 0.00 -0.16 1.26 -0.38 0.21 0.00 0.00 175.17 176.09 2cqb n ILE 32 N 2.51 0.02 0.00 0.77 5.41 -1.26 -3.61 119.36 123.19 2cqb n ILE 32 Ca 0.14 -0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.68 2cqb n ILE 32 Cb 0.34 -0.45 -0.14 0.00 -0.71 0.00 0.00 39.64 38.68 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 2.27 1.78 -3.57 1.39 -2.24 -1.21 -4.92 114.28 107.79 2cqb n THR 33 Ca 0.20 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 2cqb n THR 33 Cb 0.12 -1.71 -0.05 0.00 -2.10 0.00 0.00 70.33 66.59 2cqb n THR 33 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2cqb s ASP 34 N -7.01 -0.40 0.03 3.42 1.01 -1.26 -5.07 116.67 107.39 2cqb s ASP 34 Ca -0.22 0.42 0.06 0.00 0.71 0.00 0.00 52.55 53.51 2cqb s ASP 34 Cb 0.07 0.33 -0.02 0.00 1.01 0.00 0.00 42.92 44.30 2cqb s ASP 34 CO 0.77 -0.38 -0.16 -0.63 0.21 0.00 0.00 175.17 174.98 2cqb s ILE 35 N -1.20 1.30 -0.07 0.77 1.01 -1.26 -1.91 121.20 119.84 2cqb s ILE 35 Ca -0.02 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.64 2cqb s ILE 35 Cb -0.00 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.31 2cqb s ILE 35 CO 0.02 0.11 -0.19 -1.10 0.00 0.00 0.00 174.94 173.78 2cqb s GLN 36 N -1.06 2.19 -0.24 2.79 1.11 0.20 -5.03 119.66 119.62 2cqb s GLN 36 Ca 0.04 -0.66 0.02 0.00 0.01 0.00 0.00 55.36 54.77 2cqb s GLN 36 Cb -0.08 -1.78 0.05 0.00 -1.01 0.00 0.00 33.01 30.19 2cqb s GLN 36 CO 0.01 0.18 -0.12 0.42 0.01 0.00 0.00 175.29 175.79 2cqb s ILE 37 N 0.26 2.18 -0.01 1.08 -1.09 -1.26 -1.38 121.20 120.99 2cqb s ILE 37 Ca -0.11 -1.48 -0.30 0.00 -2.23 0.00 0.00 60.65 56.53 2cqb s ILE 37 Cb -0.15 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 2cqb s ILE 37 CO 0.05 0.09 1.46 -2.16 -1.23 0.00 0.00 174.94 173.14 2cqb s PRO 38 N 1.15 4.25 0.17 2.79 0.04 -1.26 -5.01 135.00 137.13 2cqb s PRO 38 Ca -0.06 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 2cqb s PRO 38 Cb -0.19 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 2cqb s PRO 38 CO -0.06 -0.64 0.07 -0.51 0.04 0.00 0.00 177.00 175.89 2cqb s LEU 39 N 2.75 1.70 0.00 -3.56 1.43 -1.26 -3.74 118.68 115.99 2cqb s LEU 39 Ca 0.66 -1.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2cqb s LEU 39 Cb -0.32 0.20 0.12 0.00 0.03 0.00 0.00 46.19 46.22 2cqb s LEU 39 CO 0.27 -0.72 0.87 -0.67 0.23 0.00 0.00 176.35 176.33 2cqb n ASP 40 N -0.22 1.47 -0.00 2.29 2.03 -1.25 -4.87 116.55 116.00 2cqb n ASP 40 Ca -0.03 -2.17 0.10 0.00 0.52 0.00 0.00 54.79 53.21 2cqb n ASP 40 Cb 0.64 -0.53 -0.13 0.00 -0.72 0.00 0.00 41.12 40.38 2cqb n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cqb n TYR 41 N -2.57 0.00 -0.12 -0.67 4.11 -1.26 -2.74 117.16 113.91 2cqb n TYR 41 Ca 0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.83 2cqb n TYR 41 Cb 0.55 -0.16 -0.10 0.00 -0.00 0.00 0.00 39.34 39.63 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 -1.74 0.55 -0.09 -3.48 1.02 -1.26 -4.73 120.64 110.92 2cqb n GLU 42 Ca 0.01 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.26 2cqb n GLU 42 Cb 0.40 -1.41 -0.13 0.00 -0.02 0.00 0.00 31.44 30.27 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 -3.73 1.18 -2.80 2.62 -2.24 -1.26 -5.00 114.28 103.05 2cqb n THR 43 Ca -0.46 -0.72 -0.21 0.00 -2.27 0.00 0.00 64.05 60.39 2cqb n THR 43 Cb 0.88 -0.58 0.02 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.66 -3.60 -4.34 -0.78 1.02 -1.11 -4.86 120.64 104.31 2cqb n GLU 44 Ca -0.28 0.90 -0.30 0.00 -0.02 0.00 0.00 57.16 57.45 2cqb n GLU 44 Cb 1.05 -5.68 -0.11 0.00 -0.02 0.00 0.00 31.44 26.69 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 -5.47 2.12 0.36 3.49 -2.85 -1.26 -4.56 119.74 111.57 2cqb s LYS 45 Ca 0.19 -1.00 -0.25 0.00 -1.00 0.00 0.00 55.97 53.91 2cqb s LYS 45 Cb -0.09 -2.28 -0.09 0.00 -2.06 0.00 0.00 37.83 33.31 2cqb s LYS 45 CO 0.24 0.52 1.01 -3.38 0.10 0.00 0.00 175.35 173.84 2cqb s HIS 46 N -1.13 3.47 -1.73 1.78 -3.43 -1.25 -3.89 115.29 109.12 2cqb s HIS 46 Ca 0.19 1.70 0.04 0.00 -0.80 0.00 0.00 55.06 56.19 2cqb s HIS 46 Cb -0.11 -3.05 0.12 0.00 -1.43 0.00 0.00 32.58 28.11 2cqb s HIS 46 CO 0.11 -0.26 1.00 0.54 -2.00 0.00 0.00 174.74 174.13 2cqb n ARG 47 N 0.28 1.39 -0.37 -0.38 5.12 -1.26 -4.79 116.66 116.65 2cqb n ARG 47 Ca 0.03 -0.49 0.00 0.00 -1.93 0.00 0.00 57.85 55.47 2cqb n ARG 47 Cb 0.49 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 2cqb n ARG 47 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cqb n GLY 48 N 0.56 0.94 3.61 -0.13 0.00 -1.26 -4.88 105.19 104.03 2cqb n GLY 48 Ca 0.04 -0.10 -0.03 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 -2.06 -0.15 0.18 1.61 -0.12 -1.26 0.06 117.98 116.23 2cqb s PHE 49 Ca 0.00 0.02 -0.23 0.00 -0.05 0.00 0.00 56.93 56.67 2cqb s PHE 49 Cb 0.00 0.55 0.08 0.00 -0.63 0.00 0.00 43.02 43.02 2cqb s PHE 49 CO 0.00 -0.40 1.03 0.00 -0.05 0.00 0.00 175.22 175.79 2cqb s ALA 50 N -2.71 -1.62 -0.11 1.99 0.00 -0.70 -4.38 121.76 114.22 2cqb s ALA 50 Ca 0.10 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2cqb s ALA 50 Cb 0.01 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 2cqb s ALA 50 CO -0.04 -1.06 -0.17 -0.06 0.00 0.00 0.00 175.76 174.43 2cqb s PHE 51 N -2.39 2.70 -0.06 0.00 0.08 -0.48 -1.93 117.98 115.91 2cqb s PHE 51 Ca 0.20 -0.78 0.04 0.00 0.12 0.00 0.00 56.93 56.52 2cqb s PHE 51 Cb -0.02 -1.78 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 2cqb s PHE 51 CO 0.05 -0.27 -0.20 0.08 -0.10 0.00 0.00 175.22 174.77 2cqb s VAL 52 N 0.29 1.67 -0.03 -0.44 1.01 -0.49 -0.63 120.40 121.79 2cqb s VAL 52 Ca -0.13 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2cqb s VAL 52 Cb -0.16 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2cqb s VAL 52 CO 0.07 0.47 0.13 -0.70 0.00 0.00 0.00 175.10 175.07 2cqb s GLU 53 N 0.16 3.27 0.05 2.72 2.12 -0.80 0.28 118.70 126.50 2cqb s GLU 53 Ca -0.09 -0.36 0.06 0.00 0.36 0.00 0.00 54.97 54.94 2cqb s GLU 53 Cb -0.14 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 2cqb s GLU 53 CO 0.04 0.68 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.25 2cqb s PHE 54 N -1.22 2.69 0.34 5.30 0.40 -0.84 -3.34 117.98 121.32 2cqb s PHE 54 Ca 0.23 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 2cqb s PHE 54 Cb -0.12 -1.48 0.66 0.00 0.51 0.00 0.00 43.02 42.59 2cqb s PHE 54 CO 0.14 0.34 1.93 1.49 0.70 0.00 0.00 175.22 179.83 2cqb h GLU 55 N 4.21 0.84 -5.23 0.44 4.57 -1.91 -3.44 114.58 114.06 2cqb h GLU 55 Ca -0.48 -0.05 -0.41 0.00 -1.18 0.00 0.00 59.36 57.24 2cqb h GLU 55 Cb 1.16 -0.19 -0.14 0.00 -0.16 0.00 0.00 28.75 29.42 2cqb h GLU 55 CO 0.50 0.55 -0.67 -0.51 -1.18 0.00 0.00 179.01 177.70 2cqb s LEU 56 N -9.83 2.33 0.02 1.64 1.43 -1.26 -5.07 118.68 107.94 2cqb s LEU 56 Ca -0.10 -1.18 -0.19 0.00 -1.03 0.00 0.00 54.13 51.63 2cqb s LEU 56 Cb 0.20 -0.40 -0.23 0.00 0.03 0.00 0.00 46.19 45.78 2cqb s LEU 56 CO 0.78 -0.43 1.12 0.00 0.23 0.00 0.00 176.35 178.06 2cqb h ALA 57 N 2.45 0.09 -0.13 4.21 0.00 -1.84 -3.19 119.26 120.85 2cqb h ALA 57 Ca -0.39 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 53.96 2cqb h ALA 57 Cb 1.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2cqb h ALA 57 CO 0.65 0.40 0.00 1.05 0.00 0.00 0.00 179.25 181.35 2cqb h GLU 58 N -0.02 0.04 -0.72 0.00 4.11 -1.98 -2.31 114.58 113.71 2cqb h GLU 58 Ca -0.08 -0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.49 2cqb h GLU 58 Cb 1.35 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.50 2cqb h GLU 58 CO 0.13 0.03 0.25 -0.44 0.07 0.00 0.00 179.01 179.05 2cqb h ASP 59 N 0.05 0.19 0.13 3.06 5.19 -1.94 -1.73 116.42 121.37 2cqb h ASP 59 Ca 0.06 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2cqb h ASP 59 Cb 0.07 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 2cqb h ASP 59 CO -0.10 0.07 -0.12 0.00 -3.12 0.00 0.00 179.24 175.96 2cqb h ALA 60 N 1.54 -0.25 -0.65 3.45 0.00 -1.43 -1.74 119.26 120.18 2cqb h ALA 60 Ca 0.39 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.41 2cqb h ALA 60 Cb 0.60 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 2cqb h ALA 60 CO -0.42 -0.66 0.03 0.00 0.00 0.00 0.00 179.25 178.21 2cqb h ALA 61 N 0.58 0.68 -0.62 0.00 0.00 -0.81 -0.04 119.26 119.05 2cqb h ALA 61 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2cqb h ALA 61 Cb 0.26 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2cqb h ALA 61 CO -0.03 -0.38 0.37 0.00 0.00 0.00 0.00 179.25 179.20 2cqb h ALA 62 N 1.58 0.80 -1.00 0.00 0.00 -1.12 -2.26 119.26 117.27 2cqb h ALA 62 Ca 0.35 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2cqb h ALA 62 Cb 0.57 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2cqb h ALA 62 CO -0.54 0.28 0.65 0.00 0.00 0.00 0.00 179.25 179.65 2cqb h ALA 63 N 1.18 1.37 0.48 0.00 0.00 -0.14 -2.56 119.26 119.58 2cqb h ALA 63 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2cqb h ALA 63 Cb -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2cqb h ALA 63 CO -0.04 0.52 -0.23 0.82 0.00 0.00 0.00 179.25 180.32 2cqb h ILE 64 N 1.23 0.48 -0.73 0.00 2.04 -0.78 0.58 117.51 120.33 2cqb h ILE 64 Ca 0.41 -0.33 0.21 0.00 1.00 0.00 0.00 64.86 66.15 2cqb h ILE 64 Cb 0.05 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2cqb h ILE 64 CO -0.14 0.05 0.69 -0.78 0.00 0.00 0.00 178.15 177.97 2cqb h ASP 65 N -0.85 0.00 0.00 1.72 1.82 -1.23 0.39 116.42 118.27 2cqb h ASP 65 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2cqb h ASP 65 Cb 0.58 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.59 2cqb h ASP 65 CO 0.11 0.00 0.00 0.59 -1.61 0.00 0.00 179.24 178.33 2cqb n ASN 66 N -3.77 0.00 -0.51 2.28 3.02 -0.98 -4.42 115.26 110.88 2cqb n ASN 66 Ca 0.15 0.11 0.42 0.00 -0.03 0.00 0.00 54.58 55.22 2cqb n ASN 66 Cb 0.95 -0.34 0.73 0.00 -0.61 0.00 0.00 39.78 40.50 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 0.05 -6.00 3.52 2.86 0.22 -3.38 114.93 112.21 2cqb h MET 67 Ca 0.00 -0.00 -0.71 0.00 -2.06 0.00 0.00 59.70 56.92 2cqb h MET 67 Cb 0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2cqb h MET 67 CO 0.00 0.04 1.37 -1.71 1.06 0.00 0.00 176.91 177.66 2cqb n ASN 68 N -4.32 1.59 -3.34 1.22 5.15 0.14 0.67 115.26 116.36 2cqb n ASN 68 Ca 0.37 0.53 -0.23 0.00 -0.60 0.00 0.00 54.58 54.65 2cqb n ASN 68 Cb 1.57 -1.12 0.07 0.00 -0.53 0.00 0.00 39.78 39.77 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 7.85 -7.04 -2.49 1.20 1.02 -1.00 -4.93 120.64 115.26 2cqb n GLU 69 Ca 0.46 0.81 -0.25 0.00 -0.02 0.00 0.00 57.16 58.16 2cqb n GLU 69 Cb 0.12 -5.72 0.14 0.00 -0.02 0.00 0.00 31.44 25.96 2cqb n GLU 69 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2cqb s SER 70 N -3.18 3.90 -0.24 1.62 0.01 0.21 -4.86 113.70 111.17 2cqb s SER 70 Ca 0.51 -0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.33 2cqb s SER 70 Cb -0.22 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2cqb s SER 70 CO 0.63 -2.18 0.03 -0.70 0.41 0.00 0.00 173.24 171.43 2cqb s GLU 71 N -5.34 3.57 -0.07 12.44 2.12 -1.26 -2.38 118.70 127.79 2cqb s GLU 71 Ca 0.70 -0.52 -0.02 0.00 0.36 0.00 0.00 54.97 55.48 2cqb s GLU 71 Cb -0.04 -3.21 0.03 0.00 0.26 0.00 0.00 34.13 31.18 2cqb s GLU 71 CO 0.47 -0.17 0.05 -1.17 -0.54 0.00 0.00 175.26 173.90 2cqb s LEU 72 N 1.52 0.30 -1.21 2.70 2.96 0.76 -4.84 118.68 120.87 2cqb s LEU 72 Ca 0.06 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.84 2cqb s LEU 72 Cb -0.15 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.32 2cqb s LEU 72 CO 0.01 -0.25 0.89 0.49 -1.32 0.00 0.00 176.35 176.17 2cqb n PHE 73 N 5.25 -2.27 -1.77 5.38 3.01 -1.26 -1.95 117.46 123.86 2cqb n PHE 73 Ca -0.05 0.76 -0.13 0.00 1.01 0.00 0.00 57.45 59.04 2cqb n PHE 73 Cb 0.50 -4.34 -0.03 0.00 -0.01 0.00 0.00 39.48 35.59 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 -1.70 0.69 3.26 1.37 0.00 -1.26 -4.99 105.19 102.55 2cqb n GLY 74 Ca -0.02 -0.38 -0.14 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 -3.80 1.30 -0.41 1.61 0.52 -0.82 -5.13 118.95 112.22 2cqb s ARG 75 Ca 0.00 -1.69 -0.07 0.00 -0.52 0.00 0.00 55.73 53.45 2cqb s ARG 75 Cb 0.00 -0.01 0.09 0.00 0.52 0.00 0.00 34.95 35.55 2cqb s ARG 75 CO 0.00 -0.33 0.23 0.99 0.02 0.00 0.00 175.30 176.21 2cqb s THR 76 N -3.94 3.92 0.34 0.02 2.01 -1.26 -0.17 115.64 116.56 2cqb s THR 76 Ca 0.38 -1.57 -0.09 0.00 0.31 0.00 0.00 61.69 60.72 2cqb s THR 76 Cb 0.07 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 2cqb s THR 76 CO 0.12 -0.53 0.67 0.27 -0.69 0.00 0.00 174.62 174.46 2cqb s ILE 77 N 1.35 4.87 -0.11 1.82 -4.36 -1.00 -4.75 121.20 119.01 2cqb s ILE 77 Ca 0.04 0.44 -0.01 0.00 -0.26 0.00 0.00 60.65 60.86 2cqb s ILE 77 Cb -0.23 -3.71 -0.02 0.00 1.25 0.00 0.00 42.46 39.75 2cqb s ILE 77 CO 0.00 -0.38 -0.09 -0.60 0.24 0.00 0.00 174.94 174.11 2cqb s ARG 78 N -3.56 3.23 -0.02 0.37 3.52 0.00 -2.38 118.95 120.11 2cqb s ARG 78 Ca 0.49 -0.61 0.06 0.00 -0.13 0.00 0.00 55.73 55.54 2cqb s ARG 78 Cb -0.11 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.59 2cqb s ARG 78 CO 0.29 0.37 -0.21 0.08 -0.81 0.00 0.00 175.30 175.01 2cqb s VAL 79 N -0.03 1.68 -0.04 7.11 1.01 -1.26 0.58 120.40 129.46 2cqb s VAL 79 Ca -0.01 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 2cqb s VAL 79 Cb -0.14 -1.40 0.11 0.00 0.00 0.00 0.00 36.38 34.95 2cqb s VAL 79 CO 0.03 0.48 1.12 0.21 0.00 0.00 0.00 175.10 176.94 2cqb s ASN 80 N -0.46 -0.17 0.15 3.32 2.47 -0.66 -4.64 114.94 114.95 2cqb s ASN 80 Ca 0.07 -0.12 -0.34 0.00 0.42 0.00 0.00 52.86 52.89 2cqb s ASN 80 Cb -0.09 0.26 -0.15 0.00 -1.45 0.00 0.00 41.25 39.83 2cqb s ASN 80 CO -0.00 -0.46 1.38 0.18 -3.72 0.00 0.00 177.10 174.48 2cqb n LEU 81 N -0.31 2.24 -4.78 3.21 4.77 -1.26 0.05 117.00 120.92 2cqb n LEU 81 Ca -0.05 1.12 -0.33 0.00 -0.03 0.00 0.00 56.01 56.72 2cqb n LEU 81 Cb 0.61 -1.30 0.04 0.00 -2.33 0.00 0.00 43.42 40.44 2cqb n LEU 81 CO 0.11 -0.81 0.73 0.00 -1.33 0.00 0.00 177.39 176.10 2cqb s ALA 82 N 0.39 2.53 0.05 -1.18 0.00 -1.01 -4.65 121.76 117.89 2cqb s ALA 82 Ca 0.78 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 2cqb s ALA 82 Cb -0.81 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 18.97 2cqb s ALA 82 CO 0.46 -1.19 0.26 -1.59 0.00 0.00 0.00 175.76 173.71 2cqb s LYS 83 N -4.15 3.53 -0.45 0.00 -2.85 -1.26 -4.99 119.74 109.57 2cqb s LYS 83 Ca 0.66 -0.21 -0.28 0.00 -1.00 0.00 0.00 55.97 55.14 2cqb s LYS 83 Cb -0.19 -3.02 -0.01 0.00 -2.06 0.00 0.00 37.83 32.54 2cqb s LYS 83 CO 0.41 0.60 1.76 -1.25 0.10 0.00 0.00 175.35 176.98 2cqb s PRO 84 N -2.18 3.11 -0.23 1.78 0.04 -1.26 -4.83 135.00 131.43 2cqb s PRO 84 Ca 0.32 1.05 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 2cqb s PRO 84 Cb -0.13 -4.24 -0.18 0.00 0.04 0.00 0.00 34.50 29.99 2cqb s PRO 84 CO 0.21 -2.14 -0.11 -0.12 0.04 0.00 0.00 177.00 174.89 2cqb n MET 85 N 8.66 0.66 -0.93 4.56 1.56 -1.26 -4.98 117.12 125.39 2cqb n MET 85 Ca 0.21 0.20 -0.36 0.00 -0.27 0.00 0.00 57.70 57.48 2cqb n MET 85 Cb 0.49 -1.56 -0.05 0.00 2.15 0.00 0.00 33.22 34.25 2cqb n MET 85 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2cqb n ARG 86 N -3.47 0.00 -4.16 2.12 5.12 -1.26 -4.93 116.66 110.08 2cqb n ARG 86 Ca -0.44 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.25 2cqb n ARG 86 Cb 0.98 -0.92 -0.06 0.00 -1.16 0.00 0.00 32.46 31.30 2cqb n ARG 86 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2cqb s ILE 87 N 0.11 4.13 -0.11 0.55 -0.00 -1.26 -5.13 121.20 119.48 2cqb s ILE 87 Ca 0.56 -1.47 -0.30 0.00 -0.00 0.00 0.00 60.65 59.44 2cqb s ILE 87 Cb -0.79 -3.19 0.10 0.00 -0.00 0.00 0.00 42.46 38.59 2cqb s ILE 87 CO 0.36 -0.28 0.87 -0.75 -0.00 0.00 0.00 174.94 175.13 2cqb s LYS 88 N -3.56 0.78 -0.29 0.37 2.20 -1.26 -5.15 119.74 112.83 2cqb s LYS 88 Ca 0.31 0.18 0.02 0.00 -0.36 0.00 0.00 55.97 56.12 2cqb s LYS 88 Cb -0.08 0.37 0.19 0.00 -1.51 0.00 0.00 37.83 36.79 2cqb s LYS 88 CO 0.23 -0.25 0.56 -2.00 -0.36 0.00 0.00 175.35 173.53 2cqb s GLU 89 N -1.18 0.53 0.35 4.03 2.12 -1.26 -5.16 118.70 118.13 2cqb s GLU 89 Ca -0.05 0.71 -0.03 0.00 0.36 0.00 0.00 54.97 55.95 2cqb s GLU 89 Cb -0.00 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.66 2cqb s GLU 89 CO 0.05 -0.82 0.51 -1.12 -0.54 0.00 0.00 175.26 173.33 2cqb s SER 90 N 2.79 0.89 -0.41 -1.70 0.01 -1.26 -5.13 113.70 108.89 2cqb s SER 90 Ca 0.15 -1.48 0.03 0.00 1.31 0.00 0.00 55.95 55.96 2cqb s SER 90 Cb -0.13 0.69 0.16 0.00 0.21 0.00 0.00 66.02 66.95 2cqb s SER 90 CO -0.23 -1.35 0.31 -0.83 0.41 0.00 0.00 173.24 171.54 2cqb s GLY 91 N -3.23 1.20 0.89 3.44 0.00 -1.26 -5.13 107.32 103.23 2cqb s GLY 91 Ca 0.29 -2.36 -0.15 0.00 0.00 0.00 0.00 44.72 42.51 2cqb s GLY 91 CO 0.20 2.04 0.79 -1.55 0.00 0.00 0.00 173.10 174.58 2cqb n PRO 92 N 3.18 -2.57 -3.54 2.90 -0.04 -1.26 -5.10 135.00 128.58 2cqb n PRO 92 Ca 0.23 -1.27 -0.01 0.00 -0.04 0.00 0.00 63.50 62.42 2cqb n PRO 92 Cb 0.44 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 2cqb n PRO 92 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqb s SER 93 N -3.65 -0.62 0.05 3.54 1.04 -1.26 -5.17 113.70 107.64 2cqb s SER 93 Ca 0.52 0.90 -0.02 0.00 0.48 0.00 0.00 55.95 57.83 2cqb s SER 93 Cb -0.05 1.51 -0.04 0.00 0.10 0.00 0.00 66.02 67.54 2cqb s SER 93 CO 0.40 -0.13 0.23 -0.94 0.98 0.00 0.00 173.24 173.78 2cqb s SER 94 N 1.99 6.39 0.00 7.02 1.04 -1.26 -5.37 113.70 123.51 2cqb s SER 94 Ca -0.06 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2cqb s SER 94 Cb -0.05 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2cqb s SER 94 CO -0.17 0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.84