#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 -1.18 -0.22 1.61 0.15 -1.26 -5.13 113.70 107.66 2cqb s SER -5 Ca 0.00 1.12 -0.04 0.00 0.70 0.00 0.00 55.95 57.73 2cqb s SER -5 Cb 0.00 2.14 0.10 0.00 -1.71 0.00 0.00 66.02 66.55 2cqb s SER -5 CO 0.00 -0.22 0.20 -0.94 1.20 0.00 0.00 173.24 173.48 2cqb s SER -4 N 2.85 1.83 0.00 5.45 1.04 -1.26 -4.94 113.70 118.68 2cqb s SER -4 Ca 0.07 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2cqb s SER -4 Cb -0.13 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2cqb s SER -4 CO -0.19 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2cqb n GLY -3 N 5.30 -0.19 3.48 7.32 0.00 -1.26 -4.91 105.19 114.94 2cqb n GLY -3 Ca -0.05 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.15 6.81 -0.17 1.61 1.04 -1.26 -4.94 113.70 115.64 2cqb s SER -2 Ca 0.00 -2.40 -0.01 0.00 0.48 0.00 0.00 55.95 54.02 2cqb s SER -2 Cb 0.00 -2.44 0.05 0.00 0.10 0.00 0.00 66.02 63.73 2cqb s SER -2 CO 0.00 -1.00 -0.01 -0.55 0.98 0.00 0.00 173.24 172.66 2cqb s SER -1 N 3.53 2.83 0.00 7.02 0.15 -1.26 -4.96 113.70 121.00 2cqb s SER -1 Ca 0.40 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2cqb s SER -1 Cb -0.03 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 2cqb s SER -1 CO -0.04 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2cqb n GLY 0 N 4.95 0.00 0.11 9.45 0.00 -1.26 -4.82 105.19 113.62 2cqb n GLY 0 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.66 0.56 -0.80 1.61 0.00 -1.26 -4.51 117.12 111.06 2cqb n MET 1 Ca 0.00 0.26 -0.08 0.00 -0.00 0.00 0.00 57.70 57.88 2cqb n MET 1 Cb 0.34 -1.48 -0.11 0.00 0.00 0.00 0.00 33.22 31.97 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 -4.29 5.43 -2.58 -5.12 0.00 -1.26 -4.80 120.51 107.88 2cqb n ALA 2 Ca -0.35 -1.16 -0.09 0.00 0.00 0.00 0.00 53.44 51.84 2cqb n ALA 2 Cb 0.70 -1.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.20 2cqb n ALA 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2cqb s THR 3 N 0.71 0.09 0.06 0.00 -1.32 -1.26 -4.87 115.64 109.05 2cqb s THR 3 Ca 0.43 -1.46 0.04 0.00 -1.21 0.00 0.00 61.69 59.49 2cqb s THR 3 Cb 0.20 -1.80 -0.03 0.00 -1.51 0.00 0.00 72.50 69.37 2cqb s THR 3 CO 0.00 -0.39 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.01 2cqb s THR 4 N -3.97 0.91 -0.02 5.08 2.01 -1.26 -4.99 115.64 113.39 2cqb s THR 4 Ca 0.16 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 60.96 2cqb s THR 4 Cb 0.04 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 2cqb s THR 4 CO -0.01 -0.28 0.00 0.29 -0.69 0.00 0.00 174.62 173.93 2cqb n LYS 5 N 1.35 2.90 0.28 4.92 4.01 -1.26 -4.54 118.16 125.82 2cqb n LYS 5 Ca -0.22 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 57.72 2cqb n LYS 5 Cb 0.54 -1.06 0.81 0.00 -0.51 0.00 0.00 35.03 34.81 2cqb n LYS 5 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2cqb h ARG 6 N 0.00 0.00 -5.62 1.97 -0.00 -1.90 -3.39 114.38 105.44 2cqb h ARG 6 Ca -0.06 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.79 2cqb h ARG 6 Cb 1.13 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 30.96 2cqb h ARG 6 CO 0.00 0.07 0.45 0.08 0.00 0.00 0.00 179.97 180.57 2cqb s VAL 7 N -4.34 4.49 0.34 2.04 1.01 -1.26 -1.95 120.40 120.72 2cqb s VAL 7 Ca -0.04 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 2cqb s VAL 7 Cb 0.14 -4.50 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2cqb s VAL 7 CO 0.57 -1.08 0.76 -0.76 0.00 0.00 0.00 175.10 174.58 2cqb s LEU 8 N 3.67 4.03 -0.22 3.92 1.43 0.96 -2.65 118.68 129.83 2cqb s LEU 8 Ca 0.26 1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 54.62 2cqb s LEU 8 Cb -0.14 -4.12 -0.01 0.00 0.03 0.00 0.00 46.19 41.95 2cqb s LEU 8 CO 0.17 -0.23 -0.03 -0.47 0.23 0.00 0.00 176.35 176.01 2cqb s TYR 9 N -2.03 2.97 -0.09 0.29 6.14 0.48 -1.51 117.35 123.61 2cqb s TYR 9 Ca 0.55 -0.85 -0.01 0.00 0.64 0.00 0.00 57.07 57.40 2cqb s TYR 9 Cb -0.10 -2.11 -0.03 0.00 0.42 0.00 0.00 41.96 40.14 2cqb s TYR 9 CO 0.18 -0.50 -0.04 0.08 0.64 0.00 0.00 175.55 175.90 2cqb s VAL 10 N 1.45 3.93 0.35 3.14 1.01 -0.60 -1.61 120.40 128.06 2cqb s VAL 10 Ca 0.05 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2cqb s VAL 10 Cb -0.14 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2cqb s VAL 10 CO -0.02 0.59 0.17 -0.83 0.00 0.00 0.00 175.10 175.01 2cqb s GLY 11 N -0.67 2.32 -1.51 4.51 0.00 0.21 -1.63 107.32 110.55 2cqb s GLY 11 Ca 0.10 -1.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.15 2cqb s GLY 11 CO 0.02 -1.65 0.34 0.61 0.00 0.00 0.00 173.10 172.41 2cqb n GLY 12 N -0.71 -0.51 2.00 0.20 0.00 -0.36 -1.89 105.19 103.92 2cqb n GLY 12 Ca -0.00 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2cqb n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cqb n LEU 13 N -3.54 0.00 -5.00 0.99 4.77 -0.94 -4.41 117.00 108.87 2cqb n LEU 13 Ca -0.14 -0.68 -0.21 0.00 -0.03 0.00 0.00 56.01 54.95 2cqb n LEU 13 Cb 0.63 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2cqb n LEU 13 CO 0.38 -1.56 0.27 0.00 -1.33 0.00 0.00 177.39 175.15 2cqb s ALA 14 N -3.16 4.63 -0.47 -1.18 0.00 -1.26 -4.84 121.76 115.48 2cqb s ALA 14 Ca 0.40 -1.94 0.24 0.00 0.00 0.00 0.00 51.96 50.66 2cqb s ALA 14 Cb -0.03 -1.31 0.37 0.00 0.00 0.00 0.00 23.12 22.15 2cqb s ALA 14 CO 0.30 -0.73 1.53 1.05 0.00 0.00 0.00 175.76 177.91 2cqb h GLU 15 N 0.34 0.00 -0.34 0.00 4.11 -1.95 -3.22 114.58 113.52 2cqb h GLU 15 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2cqb h GLU 15 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2cqb h GLU 15 CO 0.45 0.00 0.00 -1.91 0.07 0.00 0.00 179.01 177.62 2cqb n GLU 16 N -2.81 3.21 -3.95 1.06 4.07 -1.26 -4.96 120.64 116.00 2cqb n GLU 16 Ca 0.04 -2.75 -0.35 0.00 -0.06 0.00 0.00 57.16 54.04 2cqb n GLU 16 Cb 0.51 -1.80 -0.10 0.00 -0.06 0.00 0.00 31.44 29.99 2cqb n GLU 16 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2cqb s VAL 17 N -2.43 4.77 0.27 6.31 1.01 -1.22 -4.91 120.40 124.21 2cqb s VAL 17 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2cqb s VAL 17 Cb 0.31 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2cqb s VAL 17 CO 0.12 0.43 0.27 -0.62 0.00 0.00 0.00 175.10 175.30 2cqb s ASP 18 N 0.59 0.72 0.55 3.32 2.15 -1.26 -4.81 116.67 117.94 2cqb s ASP 18 Ca 0.04 -1.47 0.45 0.00 0.43 0.00 0.00 52.55 52.00 2cqb s ASP 18 Cb -0.13 0.50 1.67 0.00 -0.30 0.00 0.00 42.92 44.66 2cqb s ASP 18 CO 0.01 -1.01 1.66 -2.24 -0.17 0.00 0.00 175.17 173.42 2cqb h ASP 19 N 2.35 0.00 0.06 -0.34 3.04 -1.97 0.46 116.42 120.02 2cqb h ASP 19 Ca -0.30 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.48 2cqb h ASP 19 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 2cqb h ASP 19 CO 0.44 0.00 -0.03 0.07 -2.04 0.00 0.00 179.24 177.68 2cqb h LYS 20 N 0.00 -0.08 -0.03 4.15 2.10 -1.98 -0.94 116.57 119.79 2cqb h LYS 20 Ca 0.80 0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 59.45 2cqb h LYS 20 Cb 3.22 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 34.56 2cqb h LYS 20 CO -0.01 0.40 0.01 0.28 -2.00 0.00 0.00 179.45 178.14 2cqb h VAL 21 N -0.60 1.11 -0.55 0.07 2.07 -0.51 -1.98 116.25 115.87 2cqb h VAL 21 Ca -0.01 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2cqb h VAL 21 Cb 0.52 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2cqb h VAL 21 CO 0.01 0.09 0.29 -0.07 0.02 0.00 0.00 177.57 177.92 2cqb h LEU 22 N -0.09 0.67 0.28 2.57 3.38 -1.20 -1.29 115.31 119.63 2cqb h LEU 22 Ca 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2cqb h LEU 22 Cb 0.14 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2cqb h LEU 22 CO -0.00 0.55 -0.13 -0.74 0.09 0.00 0.00 178.44 178.20 2cqb h HIS 23 N 0.76 -0.35 0.00 1.13 2.76 -0.90 0.28 115.15 118.83 2cqb h HIS 23 Ca 0.19 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2cqb h HIS 23 Cb 0.03 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.11 2cqb h HIS 23 CO 0.00 -0.13 0.00 0.00 -1.30 0.00 0.00 177.93 176.51 2cqb n ALA 24 N -2.33 1.54 0.48 5.26 0.00 -0.77 0.22 120.51 124.92 2cqb n ALA 24 Ca -0.10 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2cqb n ALA 24 Cb 0.21 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.70 3.64 0.13 0.00 0.00 -0.50 -4.25 120.51 117.83 2cqb n ALA 25 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 52.96 2cqb n ALA 25 Cb 0.18 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.93 0.01 0.14 0.00 3.01 0.94 -4.63 117.46 114.99 2cqb n PHE 26 Ca 0.00 -0.04 0.07 0.00 1.01 0.00 0.00 57.45 58.49 2cqb n PHE 26 Cb 0.45 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.47 2cqb n PHE 26 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 2cqb h ILE 27 N 0.70 1.04 0.91 4.37 6.09 -0.41 -3.06 117.51 127.15 2cqb h ILE 27 Ca 0.00 -0.09 -0.04 0.00 -1.37 0.00 0.00 64.86 63.36 2cqb h ILE 27 Cb 0.18 0.77 0.01 0.00 0.47 0.00 0.00 36.82 38.25 2cqb h ILE 27 CO 0.00 0.05 -0.44 -0.65 -3.07 0.00 0.00 178.15 174.04 2cqb h PRO 28 N 0.25 -1.18 -0.54 2.19 0.11 -1.84 -3.27 132.00 127.71 2cqb h PRO 28 Ca 0.08 0.08 0.05 0.00 0.11 0.00 0.00 66.00 66.32 2cqb h PRO 28 Cb 0.01 0.27 -0.06 0.00 0.11 0.00 0.00 31.00 31.32 2cqb h PRO 28 CO -0.02 -0.79 -0.32 1.19 -0.21 0.00 0.00 178.00 177.86 2cqb n PHE 29 N -5.59 -0.24 0.00 0.65 3.72 -1.16 -4.84 117.46 110.01 2cqb n PHE 29 Ca -0.15 0.68 0.00 0.00 -0.05 0.00 0.00 57.45 57.92 2cqb n PHE 29 Cb 0.48 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 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 -1.14 4.50 2.96 1.37 0.00 -1.23 -4.96 105.19 106.70 2cqb n GLY 30 Ca 0.01 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2cqb n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cqb s ASP 31 N 1.59 4.60 -0.29 1.61 2.15 -1.26 -4.68 116.67 120.39 2cqb s ASP 31 Ca 0.00 -3.20 -0.37 0.00 0.43 0.00 0.00 52.55 49.41 2cqb s ASP 31 Cb 0.00 -1.68 -0.13 0.00 -0.30 0.00 0.00 42.92 40.82 2cqb s ASP 31 CO 0.00 -0.21 2.02 -0.38 -0.17 0.00 0.00 175.17 176.42 2cqb n ILE 32 N 2.88 0.29 0.08 4.11 5.41 -1.26 -3.46 119.36 127.40 2cqb n ILE 32 Ca 0.09 -0.17 -0.11 0.00 1.00 0.00 0.00 62.75 63.56 2cqb n ILE 32 Cb 0.34 -1.55 -0.10 0.00 -0.71 0.00 0.00 39.64 37.61 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 6.31 1.60 -1.99 1.39 1.35 -1.89 -3.48 112.91 116.19 2cqb h THR 33 Ca -0.36 -3.14 0.18 0.00 -0.55 0.00 0.00 66.41 62.54 2cqb h THR 33 Cb 1.31 2.81 -0.15 0.00 -1.73 0.00 0.00 68.15 70.40 2cqb h THR 33 CO 0.99 0.91 0.61 1.51 -0.25 0.00 0.00 175.52 179.29 2cqb s ASP 34 N -6.91 -0.25 0.00 5.36 1.47 -1.26 -5.08 116.67 110.01 2cqb s ASP 34 Ca -0.02 -0.07 -0.01 0.00 1.18 0.00 0.00 52.55 53.63 2cqb s ASP 34 Cb 0.09 0.31 -0.01 0.00 -0.34 0.00 0.00 42.92 42.97 2cqb s ASP 34 CO 0.84 -0.52 0.02 -0.63 0.68 0.00 0.00 175.17 175.56 2cqb s ILE 35 N -2.88 0.06 -0.07 2.11 1.01 -1.26 -1.70 121.20 118.47 2cqb s ILE 35 Ca 0.08 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2cqb s ILE 35 Cb -0.01 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.26 2cqb s ILE 35 CO -0.06 -0.28 -0.23 -1.10 0.00 0.00 0.00 174.94 173.27 2cqb s GLN 36 N -0.85 2.59 -0.19 2.79 1.11 0.42 -5.03 119.66 120.50 2cqb s GLN 36 Ca -0.09 -0.85 0.01 0.00 0.01 0.00 0.00 55.36 54.44 2cqb s GLN 36 Cb -0.06 -2.11 0.03 0.00 -1.01 0.00 0.00 33.01 29.86 2cqb s GLN 36 CO -0.00 0.29 -0.15 0.42 0.01 0.00 0.00 175.29 175.86 2cqb s ILE 37 N 0.04 1.90 -0.14 1.08 -1.09 -1.26 -1.24 121.20 120.49 2cqb s ILE 37 Ca -0.09 -1.02 -0.29 0.00 -2.23 0.00 0.00 60.65 57.02 2cqb s ILE 37 Cb -0.15 -1.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 2cqb s ILE 37 CO 0.05 0.34 1.55 -2.16 -1.23 0.00 0.00 174.94 173.50 2cqb s PRO 38 N 1.32 4.05 0.39 2.79 0.04 -1.26 -5.00 135.00 137.32 2cqb s PRO 38 Ca 0.01 1.88 0.04 0.00 0.04 0.00 0.00 61.00 62.97 2cqb s PRO 38 Cb -0.15 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2cqb s PRO 38 CO -0.10 -0.98 0.08 -0.51 0.04 0.00 0.00 177.00 175.53 2cqb s LEU 39 N 4.35 2.14 0.00 -3.56 1.43 -1.26 -3.95 118.68 117.83 2cqb s LEU 39 Ca 0.69 -1.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 2cqb s LEU 39 Cb -0.28 -0.32 0.09 0.00 0.03 0.00 0.00 46.19 45.71 2cqb s LEU 39 CO 0.26 -0.77 0.73 0.47 0.23 0.00 0.00 176.35 177.28 2cqb n ASP 40 N -1.03 1.64 -0.01 2.29 8.00 -1.18 -4.83 116.55 121.42 2cqb n ASP 40 Ca -0.06 -2.23 0.06 0.00 0.71 0.00 0.00 54.79 53.28 2cqb n ASP 40 Cb 0.66 -0.42 -0.07 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.24 0.00 -0.06 1.24 0.18 -1.26 -2.88 117.16 112.15 2cqb n TYR 41 Ca 0.14 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.86 2cqb n TYR 41 Cb 0.51 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.39 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 -1.27 1.76 0.00 -3.48 0.28 -1.26 -4.74 120.64 111.93 2cqb n GLU 42 Ca 0.03 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2cqb n GLU 42 Cb 0.22 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.80 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 -2.53 0.00 -2.92 3.84 -2.24 -1.26 -5.01 114.28 104.15 2cqb n THR 43 Ca -0.20 -0.05 -0.20 0.00 -2.27 0.00 0.00 64.05 61.33 2cqb n THR 43 Cb 0.84 0.51 0.01 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.30 -3.35 -4.15 -0.78 -0.58 -1.14 -4.83 120.64 104.50 2cqb n GLU 44 Ca 0.00 0.69 -0.26 0.00 -0.42 0.00 0.00 57.16 57.17 2cqb n GLU 44 Cb 0.00 -5.41 -0.07 0.00 -0.57 0.00 0.00 31.44 25.40 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 -5.56 2.64 -0.03 3.49 -2.85 -1.26 -4.41 119.74 111.75 2cqb s LYS 45 Ca 0.22 -1.02 -0.02 0.00 -1.00 0.00 0.00 55.97 54.15 2cqb s LYS 45 Cb -0.11 -2.48 -0.04 0.00 -2.06 0.00 0.00 37.83 33.14 2cqb s LYS 45 CO 0.28 0.46 0.13 -3.38 0.10 0.00 0.00 175.35 172.94 2cqb s HIS 46 N -1.80 3.45 -0.07 1.78 -3.43 -1.25 -3.11 115.29 110.85 2cqb s HIS 46 Ca 0.29 0.32 -0.26 0.00 -0.80 0.00 0.00 55.06 54.62 2cqb s HIS 46 Cb -0.09 -1.81 -0.23 0.00 -1.43 0.00 0.00 32.58 29.02 2cqb s HIS 46 CO 0.21 0.62 1.03 0.00 -2.00 0.00 0.00 174.74 174.60 2cqb h ARG 47 N 4.15 0.08 0.00 -0.38 -0.00 -1.97 -3.47 114.38 112.80 2cqb h ARG 47 Ca -0.50 -0.08 0.00 0.00 -0.50 0.00 0.00 59.98 58.90 2cqb h ARG 47 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.18 2cqb h ARG 47 CO 0.64 0.82 0.00 0.41 0.00 0.00 0.00 179.97 181.84 2cqb n GLY 48 N 0.95 -0.63 3.57 0.04 0.00 -1.26 -4.90 105.19 102.97 2cqb n GLY 48 Ca -0.09 0.21 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.21 0.23 1.61 -0.12 -1.26 -1.22 117.98 117.01 2cqb s PHE 49 Ca 0.00 0.17 -0.15 0.00 -0.05 0.00 0.00 56.93 56.89 2cqb s PHE 49 Cb 0.00 0.51 0.06 0.00 -0.63 0.00 0.00 43.02 42.96 2cqb s PHE 49 CO 0.00 -0.30 0.76 0.00 -0.05 0.00 0.00 175.22 175.63 2cqb n ALA 50 N -0.03 -1.88 -3.43 1.99 0.00 -0.65 -4.28 120.51 112.23 2cqb n ALA 50 Ca -0.03 -0.93 -0.26 0.00 0.00 0.00 0.00 53.44 52.22 2cqb n ALA 50 Cb 0.59 0.63 -0.17 0.00 0.00 0.00 0.00 19.45 20.50 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 -3.07 1.66 -0.07 0.00 0.08 -0.37 -1.57 117.98 114.64 2cqb s PHE 51 Ca 0.16 -0.64 0.05 0.00 0.12 0.00 0.00 56.93 56.62 2cqb s PHE 51 Cb -0.03 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.22 2cqb s PHE 51 CO 0.07 -0.31 -0.21 0.08 -0.10 0.00 0.00 175.22 174.75 2cqb s VAL 52 N 0.63 2.37 0.13 -0.44 1.01 -0.57 -0.44 120.40 123.10 2cqb s VAL 52 Ca -0.15 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 2cqb s VAL 52 Cb -0.16 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 2cqb s VAL 52 CO 0.04 0.57 0.36 -1.61 0.00 0.00 0.00 175.10 174.46 2cqb s GLU 53 N -0.15 3.61 -0.03 2.72 2.02 -0.69 -0.03 118.70 126.16 2cqb s GLU 53 Ca -0.03 -0.11 0.07 0.00 0.02 0.00 0.00 54.97 54.92 2cqb s GLU 53 Cb -0.14 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 2cqb s GLU 53 CO 0.04 0.48 -0.23 -0.06 0.02 0.00 0.00 175.26 175.51 2cqb s PHE 54 N -1.63 2.11 0.48 1.61 0.40 -0.82 -3.83 117.98 116.29 2cqb s PHE 54 Ca 0.40 -0.45 0.21 0.00 -0.60 0.00 0.00 56.93 56.48 2cqb s PHE 54 Cb -0.12 -1.37 1.23 0.00 0.51 0.00 0.00 43.02 43.27 2cqb s PHE 54 CO 0.24 -0.07 1.96 1.49 0.70 0.00 0.00 175.22 179.54 2cqb h GLU 55 N 5.69 0.20 -4.68 0.44 4.81 -1.91 -3.43 114.58 115.69 2cqb h GLU 55 Ca -0.39 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.57 2cqb h GLU 55 Cb 1.14 -0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.33 2cqb h GLU 55 CO 0.47 0.13 -0.66 -0.51 -0.73 0.00 0.00 179.01 177.71 2cqb s LEU 56 N -9.04 2.03 -0.06 1.64 1.43 -1.26 -5.08 118.68 108.34 2cqb s LEU 56 Ca -0.06 -1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 51.63 2cqb s LEU 56 Cb 0.20 0.05 -0.18 0.00 0.03 0.00 0.00 46.19 46.29 2cqb s LEU 56 CO 0.75 -0.61 0.91 0.00 0.23 0.00 0.00 176.35 177.63 2cqb h ALA 57 N 2.75 -0.14 -0.43 4.21 0.00 -1.96 -3.18 119.26 120.52 2cqb h ALA 57 Ca -0.36 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.33 2cqb h ALA 57 Cb 1.20 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2cqb h ALA 57 CO 0.62 -0.24 -0.42 0.93 0.00 0.00 0.00 179.25 180.14 2cqb h GLU 58 N -0.81 -0.20 -0.83 0.00 4.39 -1.98 0.54 114.58 115.68 2cqb h GLU 58 Ca -0.01 0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.90 2cqb h GLU 58 Cb 0.57 0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 29.12 2cqb h GLU 58 CO 0.02 -0.13 0.03 -0.44 -1.16 0.00 0.00 179.01 177.33 2cqb h ASP 59 N -0.21 -0.35 0.01 1.42 3.32 -1.93 0.18 116.42 118.85 2cqb h ASP 59 Ca 0.07 0.22 0.03 0.00 0.02 0.00 0.00 57.03 57.37 2cqb h ASP 59 Cb 0.40 0.37 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 2cqb h ASP 59 CO -0.51 -0.22 -0.23 0.00 -1.72 0.00 0.00 179.24 176.56 2cqb h ALA 60 N 1.79 -0.31 -0.66 3.45 0.00 -0.92 -1.14 119.26 121.47 2cqb h ALA 60 Ca 0.47 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.51 2cqb h ALA 60 Cb 0.88 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 2cqb h ALA 60 CO -0.73 -0.73 0.13 0.00 0.00 0.00 0.00 179.25 177.92 2cqb h ALA 61 N 0.49 0.79 -0.51 0.00 0.00 0.19 -0.76 119.26 119.45 2cqb h ALA 61 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2cqb h ALA 61 Cb 0.44 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2cqb h ALA 61 CO -0.20 -0.33 0.33 0.00 0.00 0.00 0.00 179.25 179.05 2cqb h ALA 62 N 1.54 0.64 -0.91 0.00 0.00 -0.82 -1.45 119.26 118.26 2cqb h ALA 62 Ca 0.35 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.31 2cqb h ALA 62 Cb 0.56 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2cqb h ALA 62 CO -0.46 0.10 0.56 0.00 0.00 0.00 0.00 179.25 179.45 2cqb h ALA 63 N 1.18 1.30 0.44 0.00 0.00 0.07 -1.66 119.26 120.59 2cqb h ALA 63 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2cqb h ALA 63 Cb -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2cqb h ALA 63 CO -0.04 0.25 -0.21 0.82 0.00 0.00 0.00 179.25 180.06 2cqb h ILE 64 N 0.96 0.38 -0.67 0.00 2.04 -0.88 0.70 117.51 120.04 2cqb h ILE 64 Ca 0.42 -0.53 0.19 0.00 1.00 0.00 0.00 64.86 65.94 2cqb h ILE 64 Cb 0.30 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2cqb h ILE 64 CO -0.22 0.07 0.66 -0.78 0.00 0.00 0.00 178.15 177.88 2cqb h ASP 65 N -0.98 0.00 0.00 1.72 3.58 -1.08 0.49 116.42 120.15 2cqb h ASP 65 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2cqb h ASP 65 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2cqb h ASP 65 CO 0.10 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.05 2cqb n ASN 66 N -3.73 0.00 -0.49 2.28 3.02 -0.64 -4.44 115.26 111.26 2cqb n ASN 66 Ca 0.14 0.08 0.43 0.00 -0.03 0.00 0.00 54.58 55.20 2cqb n ASN 66 Cb 0.90 -0.35 0.78 0.00 -0.61 0.00 0.00 39.78 40.51 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 -6.12 3.52 2.86 0.46 -3.39 114.93 112.26 2cqb h MET 67 Ca 0.00 -0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 56.94 2cqb h MET 67 Cb 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2cqb h MET 67 CO 0.00 0.00 1.10 -1.71 1.06 0.00 0.00 176.91 177.36 2cqb n ASN 68 N -4.08 2.50 -3.57 1.22 2.85 0.17 -0.16 115.26 114.20 2cqb n ASN 68 Ca 0.34 0.86 -0.26 0.00 -0.11 0.00 0.00 54.58 55.41 2cqb n ASN 68 Cb 1.59 -1.22 0.05 0.00 1.24 0.00 0.00 39.78 41.44 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 6.50 -6.22 -1.92 1.20 1.02 -0.41 -4.91 120.64 115.89 2cqb n GLU 69 Ca 0.31 0.74 -0.17 0.00 -0.02 0.00 0.00 57.16 58.01 2cqb n GLU 69 Cb 0.19 -5.68 0.10 0.00 -0.02 0.00 0.00 31.44 26.02 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 -2.80 0.84 -4.18 1.62 3.41 0.78 -4.80 113.62 108.49 2cqb n SER 70 Ca -0.00 -1.75 -0.37 0.00 -0.26 0.00 0.00 58.87 56.48 2cqb n SER 70 Cb 0.56 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.89 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 -4.47 2.29 -0.13 4.33 2.12 -1.26 -2.51 118.70 119.08 2cqb s GLU 71 Ca 0.49 -1.60 0.02 0.00 0.36 0.00 0.00 54.97 54.25 2cqb s GLU 71 Cb -0.03 -3.58 0.01 0.00 0.26 0.00 0.00 34.13 30.79 2cqb s GLU 71 CO 0.33 -0.95 -0.20 -1.17 -0.54 0.00 0.00 175.26 172.72 2cqb s LEU 72 N 1.26 1.99 -1.36 2.70 2.96 0.19 -4.67 118.68 121.75 2cqb s LEU 72 Ca 0.04 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2cqb s LEU 72 Cb -0.22 -1.33 0.00 0.00 0.50 0.00 0.00 46.19 45.13 2cqb s LEU 72 CO -0.01 0.07 0.30 0.49 -1.32 0.00 0.00 176.35 175.88 2cqb n PHE 73 N 4.05 -1.30 -1.19 5.38 3.01 -1.26 -1.67 117.46 124.48 2cqb n PHE 73 Ca -0.20 0.26 -0.07 0.00 1.01 0.00 0.00 57.45 58.46 2cqb n PHE 73 Cb 0.52 -3.72 -0.03 0.00 -0.01 0.00 0.00 39.48 36.23 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 -1.24 0.87 3.19 1.37 0.00 -1.26 -4.99 105.19 103.13 2cqb n GLY 74 Ca -0.14 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.27 1.03 -0.04 1.61 1.70 -0.67 -5.13 118.95 115.19 2cqb s ARG 75 Ca 0.00 -1.50 -0.13 0.00 -0.47 0.00 0.00 55.73 53.63 2cqb s ARG 75 Cb 0.00 0.04 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 2cqb s ARG 75 CO 0.00 -0.23 0.34 0.99 -1.08 0.00 0.00 175.30 175.33 2cqb s THR 76 N -3.90 5.16 0.19 4.99 2.01 -1.26 0.56 115.64 123.39 2cqb s THR 76 Ca 0.26 0.68 0.08 0.00 0.31 0.00 0.00 61.69 63.02 2cqb s THR 76 Cb 0.07 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 2cqb s THR 76 CO 0.04 0.57 -0.16 0.27 -0.69 0.00 0.00 174.62 174.64 2cqb s ILE 77 N -0.91 1.82 -0.13 1.82 -4.36 -1.04 -4.76 121.20 113.62 2cqb s ILE 77 Ca 0.21 -2.08 -0.02 0.00 -0.26 0.00 0.00 60.65 58.50 2cqb s ILE 77 Cb -0.15 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.57 2cqb s ILE 77 CO 0.11 -0.45 -0.07 -0.13 0.24 0.00 0.00 174.94 174.63 2cqb s ARG 78 N -3.23 3.44 0.01 0.37 0.52 -0.79 -1.28 118.95 117.98 2cqb s ARG 78 Ca 0.20 -0.57 0.06 0.00 -0.52 0.00 0.00 55.73 54.90 2cqb s ARG 78 Cb -0.03 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 2cqb s ARG 78 CO 0.07 0.31 -0.17 0.08 0.02 0.00 0.00 175.30 175.61 2cqb s VAL 79 N 0.14 1.36 -0.06 3.52 1.01 -1.26 0.65 120.40 125.76 2cqb s VAL 79 Ca -0.03 -0.90 -0.32 0.00 0.00 0.00 0.00 61.98 60.74 2cqb s VAL 79 Cb -0.14 -1.17 0.12 0.00 0.00 0.00 0.00 36.38 35.20 2cqb s VAL 79 CO 0.03 0.25 1.23 0.54 0.00 0.00 0.00 175.10 177.15 2cqb s ASN 80 N -0.75 -0.10 0.28 3.32 4.22 -0.63 -4.71 114.94 116.57 2cqb s ASN 80 Ca 0.06 -0.10 -0.30 0.00 -2.14 0.00 0.00 52.86 50.38 2cqb s ASN 80 Cb -0.07 0.18 -0.13 0.00 1.28 0.00 0.00 41.25 42.51 2cqb s ASN 80 CO 0.00 -0.33 1.28 0.18 -2.04 0.00 0.00 177.10 176.19 2cqb n LEU 81 N -0.35 2.92 -4.68 3.54 4.77 -1.26 -0.39 117.00 121.55 2cqb n LEU 81 Ca -0.05 1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 56.69 2cqb n LEU 81 Cb 0.61 -1.41 0.02 0.00 -2.33 0.00 0.00 43.42 40.31 2cqb n LEU 81 CO 0.11 -0.71 0.81 0.00 -1.33 0.00 0.00 177.39 176.27 2cqb n ALA 82 N 1.02 1.01 -1.82 -1.18 0.00 -1.08 -4.66 120.51 113.79 2cqb n ALA 82 Ca 0.09 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 2cqb n ALA 82 Cb 0.33 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 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 -2.30 4.03 -0.57 0.00 -2.85 -1.26 -4.87 119.74 111.91 2cqb s LYS 83 Ca 0.64 1.07 -0.27 0.00 -1.00 0.00 0.00 55.97 56.41 2cqb s LYS 83 Cb -0.50 -2.15 -0.02 0.00 -2.06 0.00 0.00 37.83 33.11 2cqb s LYS 83 CO 0.56 -0.21 1.84 -1.25 0.10 0.00 0.00 175.35 176.39 2cqb s PRO 84 N -3.64 2.73 0.60 1.78 0.04 -1.26 -4.95 135.00 130.31 2cqb s PRO 84 Ca 0.61 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 2cqb s PRO 84 Cb -0.10 -4.36 -0.14 0.00 0.04 0.00 0.00 34.50 29.94 2cqb s PRO 84 CO 0.23 -2.60 -0.14 -1.33 0.04 0.00 0.00 177.00 173.20 2cqb n MET 85 N 9.06 0.06 -3.79 4.56 2.81 -1.26 -4.95 117.12 123.62 2cqb n MET 85 Ca 0.21 0.02 -0.30 0.00 -1.81 0.00 0.00 57.70 55.82 2cqb n MET 85 Cb 0.51 -1.11 -0.13 0.00 -0.71 0.00 0.00 33.22 31.78 2cqb n MET 85 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2cqb s ARG 86 N -1.35 1.42 0.05 0.03 3.00 -1.26 -5.10 118.95 115.74 2cqb s ARG 86 Ca 0.56 -2.08 0.09 0.00 -1.00 0.00 0.00 55.73 53.29 2cqb s ARG 86 Cb -0.44 -2.59 -0.03 0.00 0.00 0.00 0.00 34.95 31.89 2cqb s ARG 86 CO 0.67 -1.13 -0.25 0.96 0.00 0.00 0.00 175.30 175.56 2cqb s ILE 87 N 0.31 2.02 -0.26 4.11 -4.36 -1.26 -5.10 121.20 116.66 2cqb s ILE 87 Ca 0.17 -1.36 -0.29 0.00 -0.26 0.00 0.00 60.65 58.90 2cqb s ILE 87 Cb -0.24 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 41.74 2cqb s ILE 87 CO -0.02 0.31 1.18 -1.59 0.24 0.00 0.00 174.94 175.06 2cqb s LYS 88 N -1.27 4.10 0.23 0.37 -2.85 -1.26 -4.98 119.74 114.08 2cqb s LYS 88 Ca 0.11 1.32 -0.31 0.00 -1.00 0.00 0.00 55.97 56.08 2cqb s LYS 88 Cb -0.10 -3.77 -0.11 0.00 -2.06 0.00 0.00 37.83 31.79 2cqb s LYS 88 CO 0.02 -0.87 1.63 -1.83 0.10 0.00 0.00 175.35 174.40 2cqb s GLU 89 N 3.68 4.15 0.19 1.78 -1.05 -1.26 -4.90 118.70 121.30 2cqb s GLU 89 Ca 0.50 2.53 -0.15 0.00 -0.15 0.00 0.00 54.97 57.70 2cqb s GLU 89 Cb -0.16 -3.08 0.18 0.00 -0.44 0.00 0.00 34.13 30.63 2cqb s GLU 89 CO 0.16 -0.66 1.64 1.03 0.95 0.00 0.00 175.26 178.38 2cqb h SER 90 N 6.04 -0.52 -4.01 0.83 0.87 -2.08 -3.47 113.55 111.22 2cqb h SER 90 Ca -0.44 0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.19 2cqb h SER 90 Cb 1.21 0.34 0.07 0.00 -0.44 0.00 0.00 62.40 63.58 2cqb h SER 90 CO 0.88 -0.18 -0.29 0.61 -0.53 0.00 0.00 176.83 177.32 2cqb n GLY 91 N -1.38 -0.07 3.68 5.77 0.00 -1.26 -5.04 105.19 106.88 2cqb n GLY 91 Ca 0.05 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.48 0.45 0.11 1.61 0.04 -1.26 -5.08 135.00 127.39 2cqb s PRO 92 Ca 0.16 0.52 0.09 0.00 0.04 0.00 0.00 61.00 61.81 2cqb s PRO 92 Cb -0.02 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2cqb s PRO 92 CO 0.31 -2.72 -0.22 -1.12 0.04 0.00 0.00 177.00 173.28 2cqb s SER 93 N -3.46 2.72 0.23 6.66 0.01 -1.26 -5.15 113.70 113.46 2cqb s SER 93 Ca 0.65 -0.70 0.11 0.00 1.31 0.00 0.00 55.95 57.32 2cqb s SER 93 Cb -0.19 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.84 2cqb s SER 93 CO 0.58 0.09 -0.16 -0.94 0.41 0.00 0.00 173.24 173.21 2cqb s SER 94 N -1.93 3.82 0.00 2.44 1.04 -1.26 -5.34 113.70 112.48 2cqb s SER 94 Ca 0.08 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2cqb s SER 94 Cb -0.10 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.56 2cqb s SER 94 CO 0.05 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.95