#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 3.11 -0.62 1.61 0.15 -1.26 -5.01 113.70 111.67 2cqb s SER -5 Ca 0.00 0.28 -0.16 0.00 0.70 0.00 0.00 55.95 56.77 2cqb s SER -5 Cb 0.00 -0.33 0.15 0.00 -1.71 0.00 0.00 66.02 64.13 2cqb s SER -5 CO 0.00 -2.74 0.59 -0.55 1.20 0.00 0.00 173.24 171.74 2cqb s SER -4 N -4.88 6.35 -0.02 5.45 0.15 -1.26 -5.04 113.70 114.45 2cqb s SER -4 Ca 0.74 -2.02 -0.30 0.00 0.70 0.00 0.00 55.95 55.07 2cqb s SER -4 Cb -0.04 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.00 2cqb s SER -4 CO 0.53 -0.80 1.48 -0.83 1.20 0.00 0.00 173.24 174.82 2cqb s GLY -3 N 3.22 1.72 1.14 9.45 0.00 -1.26 -4.99 107.32 116.59 2cqb s GLY -3 Ca 0.08 0.90 -0.18 0.00 0.00 0.00 0.00 44.72 45.52 2cqb s GLY -3 CO -0.00 2.69 0.24 -1.26 0.00 0.00 0.00 173.10 174.77 2cqb n SER -2 N 5.94 -2.70 -0.14 1.64 2.88 -1.26 -4.88 113.62 115.10 2cqb n SER -2 Ca 0.15 -0.29 -0.06 0.00 -1.33 0.00 0.00 58.87 57.34 2cqb n SER -2 Cb 0.43 -0.92 0.03 0.00 -0.75 0.00 0.00 64.21 62.99 2cqb n SER -2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2cqb h SER -1 N -2.46 0.39 0.00 -3.46 4.64 -2.07 -3.46 113.55 107.13 2cqb h SER -1 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2cqb h SER -1 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2cqb h SER -1 CO 0.32 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 2cqb n GLY 0 N -1.23 4.67 3.36 -0.77 0.00 -1.26 -5.17 105.19 104.79 2cqb n GLY 0 Ca 0.02 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 2cqb n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cqb s MET 1 N 3.54 1.35 0.33 1.61 -2.45 -1.26 -5.14 119.30 117.29 2cqb s MET 1 Ca 0.00 -1.49 0.04 0.00 -1.25 0.00 0.00 55.69 52.99 2cqb s MET 1 Cb 0.00 -1.40 -0.02 0.00 1.25 0.00 0.00 34.83 34.66 2cqb s MET 1 CO 0.00 0.28 0.49 0.00 1.05 0.00 0.00 175.02 176.84 2cqb s ALA 2 N -2.20 3.95 0.31 4.11 0.00 -1.26 -5.13 121.76 121.54 2cqb s ALA 2 Ca 0.19 -1.21 0.09 0.00 0.00 0.00 0.00 51.96 51.04 2cqb s ALA 2 Cb -0.05 -1.86 -0.06 0.00 0.00 0.00 0.00 23.12 21.15 2cqb s ALA 2 CO 0.08 -0.01 -0.12 0.99 0.00 0.00 0.00 175.76 176.70 2cqb s THR 3 N -2.21 2.15 -1.03 0.00 2.01 -1.26 -4.82 115.64 110.47 2cqb s THR 3 Ca 0.41 -2.24 -0.02 0.00 0.31 0.00 0.00 61.69 60.15 2cqb s THR 3 Cb -0.09 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 2cqb s THR 3 CO 0.33 -0.30 0.88 0.41 -0.69 0.00 0.00 174.62 175.25 2cqb n THR 4 N -0.68 -6.67 -1.23 -0.82 -1.04 -1.26 -4.91 114.28 97.67 2cqb n THR 4 Ca -0.05 -0.77 -0.27 0.00 -2.04 0.00 0.00 64.05 60.92 2cqb n THR 4 Cb 0.62 -5.36 0.04 0.00 -1.82 0.00 0.00 70.33 63.82 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 -3.52 2.29 -1.35 -2.82 5.02 -1.26 -4.44 118.16 112.09 2cqb n LYS 5 Ca -0.18 -2.46 -0.18 0.00 -2.02 0.00 0.00 58.31 53.46 2cqb n LYS 5 Cb 0.64 -1.99 0.11 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.10 2.63 -3.67 1.97 1.74 -1.26 -4.59 116.66 113.37 2cqb n ARG 6 Ca 0.47 -3.54 -0.10 0.00 -0.77 0.00 0.00 57.85 53.90 2cqb n ARG 6 Cb 0.57 -2.08 -0.10 0.00 -1.02 0.00 0.00 32.46 29.82 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 -4.05 -0.37 -0.06 1.55 1.01 -1.26 -2.98 120.40 114.24 2cqb s VAL 7 Ca 0.51 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.65 2cqb s VAL 7 Cb 0.43 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2cqb s VAL 7 CO 0.01 0.06 -0.02 -0.76 0.00 0.00 0.00 175.10 174.39 2cqb s LEU 8 N 2.10 3.43 -0.21 3.92 1.43 0.72 -2.89 118.68 127.19 2cqb s LEU 8 Ca -0.05 0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 2cqb s LEU 8 Cb -0.11 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2cqb s LEU 8 CO -0.12 0.35 0.08 -0.47 0.23 0.00 0.00 176.35 176.41 2cqb s TYR 9 N -0.92 3.19 -0.16 0.29 6.14 0.11 -1.06 117.35 124.95 2cqb s TYR 9 Ca 0.15 -0.07 -0.03 0.00 0.64 0.00 0.00 57.07 57.76 2cqb s TYR 9 Cb -0.11 -2.15 -0.02 0.00 0.42 0.00 0.00 41.96 40.09 2cqb s TYR 9 CO 0.04 -0.03 -0.07 0.08 0.64 0.00 0.00 175.55 176.21 2cqb s VAL 10 N 0.88 3.54 0.05 3.14 1.01 -0.46 -1.99 120.40 126.58 2cqb s VAL 10 Ca 0.04 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2cqb s VAL 10 Cb -0.14 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2cqb s VAL 10 CO 0.03 0.49 -0.13 -0.83 0.00 0.00 0.00 175.10 174.66 2cqb s GLY 11 N 0.52 0.78 0.00 4.51 0.00 -0.28 -1.70 107.32 111.14 2cqb s GLY 11 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2cqb s GLY 11 CO 0.03 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 172.88 2cqb n GLY 12 N 1.69 0.82 3.45 0.20 0.00 -0.68 -0.09 105.19 110.59 2cqb n GLY 12 Ca -0.19 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.45 0.00 0.99 1.43 -1.15 -4.60 118.68 115.80 2cqb s LEU 13 Ca 0.00 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 2cqb s LEU 13 Cb 0.00 -3.22 0.04 0.00 0.03 0.00 0.00 46.19 43.05 2cqb s LEU 13 CO 0.00 -4.45 0.36 0.00 0.23 0.00 0.00 176.35 172.49 2cqb n ALA 14 N -5.07 0.50 0.18 4.21 0.00 -1.26 -4.82 120.51 114.24 2cqb n ALA 14 Ca 0.03 -0.91 0.12 0.00 0.00 0.00 0.00 53.44 52.68 2cqb n ALA 14 Cb 0.55 0.24 0.11 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.70 0.00 4.81 -1.96 -3.25 114.58 113.47 2cqb h GLU 15 Ca -0.12 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.87 2cqb h GLU 15 Cb 0.54 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.78 2cqb h GLU 15 CO 0.17 0.00 0.27 0.39 -0.73 0.00 0.00 179.01 179.11 2cqb n GLU 16 N -2.95 3.27 -4.85 1.92 1.02 -1.26 -4.93 120.64 112.87 2cqb n GLU 16 Ca 0.03 -3.07 -0.33 0.00 -0.02 0.00 0.00 57.16 53.76 2cqb n GLU 16 Cb 0.54 -2.15 -0.14 0.00 -0.02 0.00 0.00 31.44 29.67 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 -3.05 2.98 0.36 2.62 1.01 -1.23 -4.95 120.40 118.14 2cqb s VAL 17 Ca 0.53 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2cqb s VAL 17 Cb 0.44 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 2cqb s VAL 17 CO 0.11 0.55 0.45 1.51 0.00 0.00 0.00 175.10 177.73 2cqb s ASP 18 N -0.00 1.18 0.46 3.32 1.47 -1.26 -4.87 116.67 116.97 2cqb s ASP 18 Ca -0.04 -1.59 0.24 0.00 1.18 0.00 0.00 52.55 52.34 2cqb s ASP 18 Cb -0.14 0.66 1.26 0.00 -0.34 0.00 0.00 42.92 44.36 2cqb s ASP 18 CO 0.04 -1.29 1.84 -2.24 0.68 0.00 0.00 175.17 174.20 2cqb h ASP 19 N 2.08 0.25 -0.10 2.11 3.04 -1.98 0.74 116.42 122.55 2cqb h ASP 19 Ca -0.27 0.03 -0.04 0.00 -3.24 0.00 0.00 57.03 53.51 2cqb h ASP 19 Cb 1.24 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.52 2cqb h ASP 19 CO 0.38 0.08 -0.08 0.07 -2.04 0.00 0.00 179.24 177.65 2cqb h LYS 20 N 0.23 0.23 -0.19 4.15 2.10 -1.98 0.36 116.57 121.48 2cqb h LYS 20 Ca 0.50 -0.11 -0.01 0.00 -2.00 0.00 0.00 60.65 59.02 2cqb h LYS 20 Cb 1.54 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.86 2cqb h LYS 20 CO -0.14 0.62 0.06 0.28 -2.00 0.00 0.00 179.45 178.28 2cqb h VAL 21 N -0.15 1.18 -0.56 0.07 2.07 -1.38 -2.30 116.25 115.17 2cqb h VAL 21 Ca 0.02 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 2cqb h VAL 21 Cb 0.57 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2cqb h VAL 21 CO 0.02 0.17 0.05 -0.07 0.02 0.00 0.00 177.57 177.77 2cqb h LEU 22 N 0.13 0.89 -0.08 2.57 3.38 -1.00 -1.02 115.31 120.19 2cqb h LEU 22 Ca 0.06 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2cqb h LEU 22 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2cqb h LEU 22 CO -0.00 0.92 -0.03 -0.74 0.09 0.00 0.00 178.44 178.68 2cqb h HIS 23 N 0.87 -0.08 0.00 1.13 2.76 -0.76 0.18 115.15 119.25 2cqb h HIS 23 Ca 0.17 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2cqb h HIS 23 Cb 0.44 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.45 2cqb h HIS 23 CO 0.03 -0.06 0.00 0.00 -1.30 0.00 0.00 177.93 176.60 2cqb h ALA 24 N 1.05 1.00 0.00 5.26 0.00 -1.30 0.21 119.26 125.48 2cqb h ALA 24 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2cqb h ALA 24 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2cqb h ALA 24 CO -0.09 0.00 -0.52 0.00 0.00 0.00 0.00 179.25 178.64 2cqb h ALA 25 N 2.02 0.68 -0.00 0.00 0.00 -0.25 -3.32 119.26 118.38 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 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 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 -2.32 0.00 0.13 0.00 3.01 0.54 -4.65 117.46 114.18 2cqb n PHE 26 Ca 0.03 -0.02 0.07 0.00 1.01 0.00 0.00 57.45 58.54 2cqb n PHE 26 Cb 0.46 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.48 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 0.37 1.04 0.91 4.37 6.09 -0.69 -3.08 117.51 126.53 2cqb h ILE 27 Ca 0.00 -0.08 -0.04 0.00 -1.37 0.00 0.00 64.86 63.36 2cqb h ILE 27 Cb 0.10 0.77 0.01 0.00 0.47 0.00 0.00 36.82 38.16 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 0.00 2.19 0.11 -1.82 -3.30 132.00 128.24 2cqb h PRO 28 Ca 0.08 0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2cqb h PRO 28 Cb 0.01 0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2cqb h PRO 28 CO -0.02 -0.79 0.00 1.19 -0.21 0.00 0.00 178.00 178.17 2cqb n PHE 29 N -5.30 0.00 -0.81 0.65 3.72 -1.16 -4.86 117.46 109.69 2cqb n PHE 29 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 2cqb n PHE 29 Cb 0.48 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.00 5.18 3.11 1.37 0.00 -1.24 -5.02 105.19 107.59 2cqb n GLY 30 Ca 0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 1.21 5.65 -0.38 1.61 1.01 -1.26 -4.64 116.67 119.87 2cqb s ASP 31 Ca 0.00 -3.24 -0.41 0.00 0.71 0.00 0.00 52.55 49.61 2cqb s ASP 31 Cb 0.00 -1.90 -0.16 0.00 1.01 0.00 0.00 42.92 41.87 2cqb s ASP 31 CO 0.00 -0.30 1.91 -0.38 0.21 0.00 0.00 175.17 176.62 2cqb n ILE 32 N 2.99 0.17 -0.02 0.77 5.41 -1.26 -3.57 119.36 123.85 2cqb n ILE 32 Ca 0.14 -0.08 -0.16 0.00 1.00 0.00 0.00 62.75 63.65 2cqb n ILE 32 Cb 0.38 -1.07 -0.11 0.00 -0.71 0.00 0.00 39.64 38.14 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 6.02 1.48 -2.84 1.39 1.35 -1.83 -3.48 112.91 114.99 2cqb h THR 33 Ca -0.34 -1.88 0.03 0.00 -0.55 0.00 0.00 66.41 63.67 2cqb h THR 33 Cb 1.35 2.57 -0.11 0.00 -1.73 0.00 0.00 68.15 70.23 2cqb h THR 33 CO 1.01 0.53 0.28 -0.62 -0.25 0.00 0.00 175.52 176.46 2cqb s ASP 34 N -6.41 -0.45 0.04 5.36 2.15 -1.26 -5.06 116.67 111.04 2cqb s ASP 34 Ca -0.15 -0.15 0.03 0.00 0.43 0.00 0.00 52.55 52.71 2cqb s ASP 34 Cb 0.02 0.58 -0.02 0.00 -0.30 0.00 0.00 42.92 43.21 2cqb s ASP 34 CO 0.77 -0.99 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.06 2cqb s ILE 35 N -3.65 0.64 -0.09 4.11 1.01 -1.26 -1.55 121.20 120.40 2cqb s ILE 35 Ca 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.74 2cqb s ILE 35 Cb -0.02 -0.66 0.01 0.00 0.01 0.00 0.00 42.46 41.80 2cqb s ILE 35 CO -0.07 -0.26 -0.17 -1.10 0.00 0.00 0.00 174.94 173.33 2cqb s GLN 36 N -1.36 2.30 -0.12 2.79 1.11 -0.20 -5.04 119.66 119.14 2cqb s GLN 36 Ca -0.06 -0.61 0.01 0.00 0.01 0.00 0.00 55.36 54.71 2cqb s GLN 36 Cb -0.09 -1.83 0.02 0.00 -1.01 0.00 0.00 33.01 30.10 2cqb s GLN 36 CO 0.01 0.07 -0.16 0.42 0.01 0.00 0.00 175.29 175.64 2cqb s ILE 37 N 0.61 1.56 -0.15 1.08 -1.09 -1.26 -1.87 121.20 120.08 2cqb s ILE 37 Ca -0.15 -0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 57.31 2cqb s ILE 37 Cb -0.16 -1.43 -0.03 0.00 -1.58 0.00 0.00 42.46 39.25 2cqb s ILE 37 CO 0.05 0.45 1.56 -2.16 -1.23 0.00 0.00 174.94 173.61 2cqb s PRO 38 N 1.09 4.01 0.16 2.79 0.04 -1.26 -5.00 135.00 136.83 2cqb s PRO 38 Ca -0.04 1.85 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2cqb s PRO 38 Cb -0.14 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 2cqb s PRO 38 CO -0.04 -1.02 -0.11 -0.51 0.04 0.00 0.00 177.00 175.35 2cqb s LEU 39 N 4.47 2.53 0.76 -3.56 1.43 -1.26 -3.67 118.68 119.37 2cqb s LEU 39 Ca 0.69 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2cqb s LEU 39 Cb -0.27 -0.43 0.15 0.00 0.03 0.00 0.00 46.19 45.66 2cqb s LEU 39 CO 0.27 -0.28 1.04 -0.62 0.23 0.00 0.00 176.35 176.98 2cqb s ASP 40 N -3.14 4.14 0.00 2.29 -1.08 -1.24 -4.87 116.67 112.77 2cqb s ASP 40 Ca 0.17 -0.44 0.20 0.00 -0.52 0.00 0.00 52.55 51.97 2cqb s ASP 40 Cb 0.01 0.16 -0.13 0.00 -1.46 0.00 0.00 42.92 41.50 2cqb s ASP 40 CO 0.02 -2.02 0.90 0.00 0.52 0.00 0.00 175.17 174.60 2cqb n TYR 41 N -2.94 0.00 -0.02 -5.34 0.18 -1.26 -3.05 117.16 104.74 2cqb n TYR 41 Ca 0.16 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.92 2cqb n TYR 41 Cb 0.61 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.55 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 -0.92 0.85 -0.08 -3.48 0.28 -1.26 -4.79 120.64 111.23 2cqb n GLU 42 Ca 0.06 0.02 -0.08 0.00 -0.16 0.00 0.00 57.16 56.99 2cqb n GLU 42 Cb 0.35 -1.07 -0.14 0.00 1.43 0.00 0.00 31.44 32.02 2cqb n GLU 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2cqb n THR 43 N -2.49 1.17 -2.79 3.84 -2.24 -1.26 -5.00 114.28 105.51 2cqb n THR 43 Ca -0.06 -0.73 -0.20 0.00 -2.27 0.00 0.00 64.05 60.80 2cqb n THR 43 Cb 0.57 -0.54 0.01 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.63 -3.27 -4.35 -0.78 1.02 -1.17 -4.85 120.64 104.61 2cqb n GLU 44 Ca -0.28 0.81 -0.26 0.00 -0.02 0.00 0.00 57.16 57.41 2cqb n GLU 44 Cb 1.06 -5.55 -0.10 0.00 -0.02 0.00 0.00 31.44 26.83 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 -5.44 1.89 0.19 3.49 -2.85 -1.26 -4.58 119.74 111.18 2cqb s LYS 45 Ca 0.18 -1.42 -0.01 0.00 -1.00 0.00 0.00 55.97 53.71 2cqb s LYS 45 Cb -0.08 -2.02 -0.04 0.00 -2.06 0.00 0.00 37.83 33.62 2cqb s LYS 45 CO 0.22 0.40 0.38 -3.38 0.10 0.00 0.00 175.35 173.07 2cqb s HIS 46 N -1.88 3.48 -0.15 1.78 -3.43 -1.24 -3.62 115.29 110.24 2cqb s HIS 46 Ca 0.25 0.35 -0.26 0.00 -0.80 0.00 0.00 55.06 54.60 2cqb s HIS 46 Cb -0.08 -1.86 -0.23 0.00 -1.43 0.00 0.00 32.58 28.98 2cqb s HIS 46 CO 0.14 0.39 0.64 0.00 -2.00 0.00 0.00 174.74 173.92 2cqb h ARG 47 N 2.11 0.00 0.00 -0.38 3.08 -1.98 -3.48 114.38 113.73 2cqb h ARG 47 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2cqb h ARG 47 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2cqb h ARG 47 CO 0.69 0.93 0.00 0.41 -1.07 0.00 0.00 179.97 180.92 2cqb n GLY 48 N 1.60 -0.21 3.62 0.04 0.00 -1.26 -4.96 105.19 104.02 2cqb n GLY 48 Ca -0.12 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.10 0.10 1.61 -0.71 -1.26 -1.68 117.98 115.94 2cqb s PHE 49 Ca 0.00 -0.02 -0.18 0.00 -1.04 0.00 0.00 56.93 55.70 2cqb s PHE 49 Cb 0.00 0.55 0.06 0.00 -1.21 0.00 0.00 43.02 42.42 2cqb s PHE 49 CO 0.00 -0.34 0.83 0.00 -1.34 0.00 0.00 175.22 174.37 2cqb n ALA 50 N -0.35 -2.22 -3.52 1.99 0.00 -0.69 -4.44 120.51 111.28 2cqb n ALA 50 Ca -0.06 -0.74 -0.20 0.00 0.00 0.00 0.00 53.44 52.45 2cqb n ALA 50 Cb 0.61 0.36 -0.16 0.00 0.00 0.00 0.00 19.45 20.26 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 -2.85 0.79 0.02 0.00 0.40 -0.78 -1.36 117.98 114.20 2cqb s PHE 51 Ca 0.19 -0.22 0.06 0.00 -0.60 0.00 0.00 56.93 56.36 2cqb s PHE 51 Cb -0.02 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 2cqb s PHE 51 CO 0.03 -0.17 -0.16 0.08 0.70 0.00 0.00 175.22 175.70 2cqb s VAL 52 N 0.76 2.97 -0.04 -0.44 1.01 -0.22 -1.04 120.40 123.39 2cqb s VAL 52 Ca -0.11 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2cqb s VAL 52 Cb -0.13 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2cqb s VAL 52 CO 0.01 0.39 -0.02 -1.61 0.00 0.00 0.00 175.10 173.86 2cqb s GLU 53 N -1.32 2.81 -0.00 2.72 2.02 -0.60 -0.20 118.70 124.14 2cqb s GLU 53 Ca 0.15 -0.54 0.06 0.00 0.02 0.00 0.00 54.97 54.65 2cqb s GLU 53 Cb -0.11 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 2cqb s GLU 53 CO 0.05 0.66 -0.16 -0.06 0.02 0.00 0.00 175.26 175.76 2cqb s PHE 54 N -0.95 2.62 0.28 1.61 0.40 -1.16 -2.76 117.98 118.02 2cqb s PHE 54 Ca 0.16 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2cqb s PHE 54 Cb -0.11 -1.54 0.63 0.00 0.51 0.00 0.00 43.02 42.51 2cqb s PHE 54 CO 0.06 0.21 1.78 1.49 0.70 0.00 0.00 175.22 179.46 2cqb h GLU 55 N 4.91 0.72 -5.35 0.44 4.81 -1.92 -3.43 114.58 114.77 2cqb h GLU 55 Ca -0.47 -0.04 -0.40 0.00 -0.13 0.00 0.00 59.36 58.32 2cqb h GLU 55 Cb 1.15 -0.16 -0.15 0.00 0.63 0.00 0.00 28.75 30.22 2cqb h GLU 55 CO 0.49 0.48 -0.73 -0.51 -0.73 0.00 0.00 179.01 178.01 2cqb s LEU 56 N -10.31 2.53 0.01 1.64 1.43 -1.26 -5.07 118.68 107.64 2cqb s LEU 56 Ca -0.12 -1.00 -0.25 0.00 -1.03 0.00 0.00 54.13 51.74 2cqb s LEU 56 Cb 0.23 -0.53 -0.16 0.00 0.03 0.00 0.00 46.19 45.76 2cqb s LEU 56 CO 0.79 -0.23 1.19 0.00 0.23 0.00 0.00 176.35 178.33 2cqb h ALA 57 N 2.73 -0.46 -0.58 4.21 0.00 -1.82 -3.16 119.26 120.18 2cqb h ALA 57 Ca -0.38 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.40 2cqb h ALA 57 Cb 1.21 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2cqb h ALA 57 CO 0.62 -0.58 -0.36 0.93 0.00 0.00 0.00 179.25 179.86 2cqb h GLU 58 N -0.82 -0.02 -0.95 0.00 4.39 -1.98 0.44 114.58 115.65 2cqb h GLU 58 Ca -0.05 0.00 0.30 0.00 0.34 0.00 0.00 59.36 59.95 2cqb h GLU 58 Cb 0.52 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.02 2cqb h GLU 58 CO 0.08 -0.01 0.33 -0.44 -1.16 0.00 0.00 179.01 177.80 2cqb h ASP 59 N -0.02 0.08 0.18 1.42 3.32 -1.96 0.15 116.42 119.60 2cqb h ASP 59 Ca 0.09 0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.37 2cqb h ASP 59 Cb 0.26 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2cqb h ASP 59 CO -0.56 -0.25 -0.19 0.00 -1.72 0.00 0.00 179.24 176.53 2cqb h ALA 60 N 1.88 -0.38 -0.66 3.45 0.00 -0.11 -1.08 119.26 122.36 2cqb h ALA 60 Ca 0.66 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.65 2cqb h ALA 60 Cb 1.48 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.45 2cqb h ALA 60 CO -0.72 -0.74 0.14 0.00 0.00 0.00 0.00 179.25 177.93 2cqb h ALA 61 N 0.35 0.80 -0.83 0.00 0.00 0.12 -0.04 119.26 119.66 2cqb h ALA 61 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2cqb h ALA 61 Cb 0.39 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2cqb h ALA 61 CO -0.06 -0.32 0.40 0.00 0.00 0.00 0.00 179.25 179.27 2cqb h ALA 62 N 1.54 1.13 -1.00 0.00 0.00 -1.07 -2.21 119.26 117.66 2cqb h ALA 62 Ca 0.36 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2cqb h ALA 62 Cb 0.57 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2cqb h ALA 62 CO -0.46 0.66 0.65 0.00 0.00 0.00 0.00 179.25 180.10 2cqb h ALA 63 N 1.25 1.34 0.38 0.00 0.00 0.29 -2.67 119.26 119.84 2cqb h ALA 63 Ca 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2cqb h ALA 63 Cb 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2cqb h ALA 63 CO -0.04 0.51 -0.18 0.82 0.00 0.00 0.00 179.25 180.36 2cqb h ILE 64 N 1.23 0.48 -0.78 0.00 2.04 -0.97 0.34 117.51 119.84 2cqb h ILE 64 Ca 0.41 -0.62 0.23 0.00 1.00 0.00 0.00 64.86 65.88 2cqb h ILE 64 Cb 0.06 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2cqb h ILE 64 CO -0.14 0.09 0.89 0.44 0.00 0.00 0.00 178.15 179.44 2cqb h ASP 65 N -0.93 0.00 0.00 1.72 3.32 -1.27 0.45 116.42 119.71 2cqb h ASP 65 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2cqb h ASP 65 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2cqb h ASP 65 CO 0.09 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.20 2cqb n ASN 66 N -3.44 0.00 -0.32 6.45 3.02 -1.02 -4.47 115.26 115.48 2cqb n ASN 66 Ca 0.17 0.03 0.35 0.00 -0.03 0.00 0.00 54.58 55.09 2cqb n ASN 66 Cb 1.15 -0.34 0.62 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 -6.10 3.52 2.86 -0.19 -3.40 114.93 111.63 2cqb h MET 67 Ca 0.00 0.00 -0.74 0.00 -2.06 0.00 0.00 59.70 56.90 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 1.03 -1.71 1.06 0.00 0.00 176.91 177.29 2cqb n ASN 68 N -3.59 2.15 -3.65 1.22 2.85 0.16 0.27 115.26 114.67 2cqb n ASN 68 Ca 0.27 0.92 -0.27 0.00 -0.11 0.00 0.00 54.58 55.39 2cqb n ASN 68 Cb 1.51 -1.13 0.03 0.00 1.24 0.00 0.00 39.78 41.43 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 6.04 -5.37 -1.13 1.20 1.02 -0.94 -4.94 120.64 116.53 2cqb n GLU 69 Ca 0.32 0.65 -0.17 0.00 -0.02 0.00 0.00 57.16 57.94 2cqb n GLU 69 Cb 0.12 -5.53 0.12 0.00 -0.02 0.00 0.00 31.44 26.13 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 -2.71 0.08 -4.14 1.62 3.41 0.14 -4.79 113.62 107.23 2cqb n SER 70 Ca 0.01 -1.29 -0.34 0.00 -0.26 0.00 0.00 58.87 56.99 2cqb n SER 70 Cb 0.55 -0.59 -0.15 0.00 -0.26 0.00 0.00 64.21 63.76 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 -4.68 2.52 -0.15 4.33 2.12 -1.26 -2.84 118.70 118.74 2cqb s GLU 71 Ca 0.44 -1.18 -0.00 0.00 0.36 0.00 0.00 54.97 54.59 2cqb s GLU 71 Cb -0.01 -2.97 0.04 0.00 0.26 0.00 0.00 34.13 31.44 2cqb s GLU 71 CO 0.31 -0.51 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.29 2cqb s LEU 72 N 1.22 1.50 -1.22 2.70 2.96 0.89 -4.78 118.68 121.95 2cqb s LEU 72 Ca -0.04 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 2cqb s LEU 72 Cb -0.18 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.61 2cqb s LEU 72 CO -0.04 -0.16 1.06 0.49 -1.32 0.00 0.00 176.35 176.37 2cqb n PHE 73 N 4.89 -2.50 -2.47 5.38 3.01 -1.26 -2.09 117.46 122.41 2cqb n PHE 73 Ca -0.12 0.93 -0.18 0.00 1.01 0.00 0.00 57.45 59.08 2cqb n PHE 73 Cb 0.48 -4.80 0.00 0.00 -0.01 0.00 0.00 39.48 35.15 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 -1.68 -0.36 3.12 1.37 0.00 -1.26 -4.99 105.19 101.38 2cqb n GLY 74 Ca -0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.03 0.64 -0.30 1.61 0.52 -0.89 -5.14 118.95 110.35 2cqb s ARG 75 Ca 0.06 -0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 54.21 2cqb s ARG 75 Cb -0.03 0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.66 2cqb s ARG 75 CO 0.07 -0.15 0.18 0.99 0.02 0.00 0.00 175.30 176.41 2cqb s THR 76 N -3.28 5.02 0.40 0.02 2.01 -1.26 -0.08 115.64 118.48 2cqb s THR 76 Ca 0.01 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 61.96 2cqb s THR 76 Cb 0.03 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.05 2cqb s THR 76 CO -0.08 0.14 0.49 0.27 -0.69 0.00 0.00 174.62 174.75 2cqb s ILE 77 N 1.70 3.06 -0.10 1.82 -4.36 -1.13 -4.79 121.20 117.40 2cqb s ILE 77 Ca 0.06 -1.12 0.03 0.00 -0.26 0.00 0.00 60.65 59.36 2cqb s ILE 77 Cb -0.17 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.49 2cqb s ILE 77 CO 0.09 -0.03 -0.21 -0.13 0.24 0.00 0.00 174.94 174.90 2cqb s ARG 78 N -4.25 2.70 -0.14 0.37 3.00 0.87 -2.21 118.95 119.30 2cqb s ARG 78 Ca 0.51 -0.76 0.02 0.00 0.00 0.00 0.00 55.73 55.50 2cqb s ARG 78 Cb -0.08 -2.09 0.00 0.00 0.00 0.00 0.00 34.95 32.79 2cqb s ARG 78 CO 0.31 0.12 -0.19 0.08 0.00 0.00 0.00 175.30 175.62 2cqb s VAL 79 N 0.48 2.35 0.17 3.52 1.01 -1.26 -1.12 120.40 125.56 2cqb s VAL 79 Ca -0.16 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.72 2cqb s VAL 79 Cb -0.17 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.30 2cqb s VAL 79 CO 0.06 0.53 0.59 0.21 0.00 0.00 0.00 175.10 176.49 2cqb s ASN 80 N 0.78 -0.50 0.25 3.32 3.84 -0.84 -4.66 114.94 117.13 2cqb s ASN 80 Ca -0.07 -0.10 -0.31 0.00 0.21 0.00 0.00 52.86 52.59 2cqb s ASN 80 Cb -0.16 0.60 -0.13 0.00 -0.55 0.00 0.00 41.25 41.01 2cqb s ASN 80 CO -0.00 -0.99 1.39 0.18 -2.79 0.00 0.00 177.10 174.88 2cqb n LEU 81 N -0.37 3.13 -4.71 3.21 4.77 -1.26 0.07 117.00 121.83 2cqb n LEU 81 Ca -0.15 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.54 2cqb n LEU 81 Cb 0.64 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.28 2cqb n LEU 81 CO 0.13 -0.50 1.14 0.00 -1.33 0.00 0.00 177.39 176.83 2cqb n ALA 82 N 1.72 1.94 -1.61 -1.18 0.00 -1.14 -4.70 120.51 115.53 2cqb n ALA 82 Ca 0.11 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.56 2cqb n ALA 82 Cb 0.32 -2.38 0.05 0.00 0.00 0.00 0.00 19.45 17.44 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 2.10 0.88 -2.18 0.00 2.85 -1.26 -4.90 118.16 115.64 2cqb n LYS 83 Ca 0.10 0.34 -0.42 0.00 -1.05 0.00 0.00 58.31 57.28 2cqb n LYS 83 Cb 0.34 -2.16 -0.03 0.00 -0.65 0.00 0.00 35.03 32.53 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 -2.76 4.29 -0.24 -1.58 0.04 -1.26 -5.01 135.00 128.48 2cqb s PRO 84 Ca 0.76 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.57 2cqb s PRO 84 Cb -0.41 -3.48 0.08 0.00 0.04 0.00 0.00 34.50 30.72 2cqb s PRO 84 CO 0.47 -0.54 0.75 1.41 0.04 0.00 0.00 177.00 179.12 2cqb s MET 85 N 2.03 0.83 0.01 4.56 1.75 -1.26 -5.17 119.30 122.05 2cqb s MET 85 Ca 0.65 0.85 0.01 0.00 -1.25 0.00 0.00 55.69 55.96 2cqb s MET 85 Cb -0.34 0.40 -0.04 0.00 2.84 0.00 0.00 34.83 37.70 2cqb s MET 85 CO 0.28 -0.13 0.03 -0.98 -0.65 0.00 0.00 175.02 173.58 2cqb s ARG 86 N 0.14 2.86 -0.26 4.11 1.70 -1.26 -5.03 118.95 121.21 2cqb s ARG 86 Ca -0.01 -0.60 0.09 0.00 -0.47 0.00 0.00 55.73 54.74 2cqb s ARG 86 Cb -0.04 -2.72 0.45 0.00 -0.57 0.00 0.00 34.95 32.07 2cqb s ARG 86 CO 0.02 0.62 1.19 0.44 -1.08 0.00 0.00 175.30 176.49 2cqb n ILE 87 N 1.17 2.32 -3.22 4.99 -5.35 -1.26 -5.05 119.36 112.96 2cqb n ILE 87 Ca -0.13 -3.84 -0.38 0.00 -0.27 0.00 0.00 62.75 58.13 2cqb n ILE 87 Cb 0.52 -0.73 -0.06 0.00 -1.74 0.00 0.00 39.64 37.63 2cqb n ILE 87 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2cqb s LYS 88 N -3.45 4.25 0.51 6.28 1.02 -1.26 -5.09 119.74 122.00 2cqb s LYS 88 Ca 0.46 0.79 0.05 0.00 0.02 0.00 0.00 55.97 57.30 2cqb s LYS 88 Cb 0.39 -3.19 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 2cqb s LYS 88 CO 0.00 0.60 0.31 -1.21 -0.92 0.00 0.00 175.35 174.13 2cqb s GLU 89 N -1.24 2.26 -0.16 1.68 8.01 -1.26 -5.07 118.70 122.91 2cqb s GLU 89 Ca 0.32 -2.02 -0.17 0.00 0.01 0.00 0.00 54.97 53.10 2cqb s GLU 89 Cb -0.20 -2.01 -0.23 0.00 -4.31 0.00 0.00 34.13 27.39 2cqb s GLU 89 CO 0.20 -0.48 0.34 1.03 0.01 0.00 0.00 175.26 176.36 2cqb h SER 90 N 0.96 0.18 -3.99 -0.19 0.87 -2.07 -3.51 113.55 105.80 2cqb h SER 90 Ca -0.39 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.46 2cqb h SER 90 Cb 1.30 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2cqb h SER 90 CO 0.62 1.60 -0.50 0.61 -0.53 0.00 0.00 176.83 178.62 2cqb n GLY 91 N 1.64 -3.72 3.71 5.77 0.00 -1.26 -4.97 105.19 106.36 2cqb n GLY 91 Ca -0.30 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 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 -4.76 1.03 0.07 1.61 0.04 -1.26 -5.03 135.00 126.69 2cqb s PRO 92 Ca 0.00 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2cqb s PRO 92 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2cqb s PRO 92 CO 0.00 -2.38 0.00 0.45 0.04 0.00 0.00 177.00 175.11 2cqb n SER 93 N -3.96 0.48 -4.71 6.66 2.88 -1.26 -5.03 113.62 108.68 2cqb n SER 93 Ca 0.06 0.10 -0.58 0.00 -1.33 0.00 0.00 58.87 57.12 2cqb n SER 93 Cb 0.56 -0.12 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 2cqb n SER 93 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cqb n SER 94 N -3.22 2.26 0.00 -3.46 3.41 -1.26 -5.36 113.62 105.98 2cqb n SER 94 Ca 0.00 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 2cqb n SER 94 Cb 0.21 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2cqb n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49