#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 6.77 -0.22 1.61 1.04 -1.26 -4.95 113.70 116.70 2cqb s SER -5 Ca 0.00 -2.33 -0.34 0.00 0.48 0.00 0.00 55.95 53.76 2cqb s SER -5 Cb 0.00 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.43 2cqb s SER -5 CO 0.00 -1.24 2.05 -1.20 0.98 0.00 0.00 173.24 173.82 2cqb n SER -4 N 8.57 2.88 -4.42 7.02 7.64 -1.26 -4.92 113.62 129.14 2cqb n SER -4 Ca 0.47 0.64 -0.44 0.00 1.01 0.00 0.00 58.87 60.55 2cqb n SER -4 Cb 0.47 -1.35 -0.08 0.00 -1.01 0.00 0.00 64.21 62.23 2cqb n SER -4 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqb s GLY -3 N 5.98 1.99 -0.11 0.23 0.00 -1.26 -4.94 107.32 109.21 2cqb s GLY -3 Ca 1.01 -1.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.77 2cqb s GLY -3 CO 0.49 1.09 0.03 1.76 0.00 0.00 0.00 173.10 176.46 2cqb h SER -2 N 8.76 0.00 -3.74 1.64 0.02 -2.05 -3.48 113.55 114.71 2cqb h SER -2 Ca -0.28 -0.06 -0.21 0.00 -0.84 0.00 0.00 61.79 60.41 2cqb h SER -2 Cb 1.11 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.38 2cqb h SER -2 CO 0.85 0.55 -0.60 -0.55 -1.14 0.00 0.00 176.83 175.95 2cqb s SER -1 N -5.61 -0.10 -0.34 3.07 0.15 -1.26 -5.09 113.70 104.52 2cqb s SER -1 Ca -0.02 0.21 -0.06 0.00 0.70 0.00 0.00 55.95 56.78 2cqb s SER -1 Cb 0.00 0.20 0.23 0.00 -1.71 0.00 0.00 66.02 64.74 2cqb s SER -1 CO 0.06 -0.05 1.14 0.61 1.20 0.00 0.00 173.24 176.20 2cqb n GLY 0 N 3.14 -1.74 3.48 9.45 0.00 -1.26 -5.09 105.19 113.17 2cqb n GLY 0 Ca -0.14 1.25 -0.43 0.00 0.00 0.00 0.00 46.02 46.70 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 0.80 3.65 -0.55 1.61 -2.45 -1.26 -4.97 119.30 116.12 2cqb s MET 1 Ca 0.24 -1.71 -0.21 0.00 -1.25 0.00 0.00 55.69 52.76 2cqb s MET 1 Cb 0.15 -5.04 0.06 0.00 1.25 0.00 0.00 34.83 31.25 2cqb s MET 1 CO -0.10 -1.88 0.76 0.00 1.05 0.00 0.00 175.02 174.85 2cqb s ALA 2 N 3.10 3.30 -0.03 4.11 0.00 -1.26 -4.90 121.76 126.08 2cqb s ALA 2 Ca 0.37 -1.73 -0.20 0.00 0.00 0.00 0.00 51.96 50.40 2cqb s ALA 2 Cb -0.03 -3.54 -0.32 0.00 0.00 0.00 0.00 23.12 19.22 2cqb s ALA 2 CO -0.08 -2.27 0.90 1.79 0.00 0.00 0.00 175.76 176.10 2cqb h THR 3 N 5.93 1.44 -2.44 0.00 1.35 -2.00 -3.42 112.91 113.77 2cqb h THR 3 Ca -0.28 -2.57 -0.58 0.00 -0.55 0.00 0.00 66.41 62.44 2cqb h THR 3 Cb 1.08 3.15 -0.11 0.00 -1.73 0.00 0.00 68.15 70.55 2cqb h THR 3 CO 1.05 0.74 0.86 -0.89 -0.25 0.00 0.00 175.52 177.03 2cqb s THR 4 N -2.47 3.98 -0.62 6.82 2.01 -1.26 -4.87 115.64 119.24 2cqb s THR 4 Ca -0.13 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 2cqb s THR 4 Cb 0.02 -4.83 0.47 0.00 0.01 0.00 0.00 72.50 68.17 2cqb s THR 4 CO 0.85 -1.70 1.95 0.29 -0.69 0.00 0.00 174.62 175.33 2cqb n LYS 5 N 8.65 2.71 -0.06 4.92 5.02 -1.26 -4.35 118.16 133.79 2cqb n LYS 5 Ca 0.02 -3.33 -0.08 0.00 -2.02 0.00 0.00 58.31 52.89 2cqb n LYS 5 Cb 0.48 -2.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.15 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 -0.93 0.51 -2.94 1.97 1.74 -1.26 -4.34 116.66 111.41 2cqb n ARG 6 Ca 0.61 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 57.33 2cqb n ARG 6 Cb 0.78 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.92 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 -2.25 4.77 -0.11 1.55 1.01 -1.26 -1.45 120.40 122.66 2cqb s VAL 7 Ca -0.16 1.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.90 2cqb s VAL 7 Cb 0.04 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2cqb s VAL 7 CO 0.30 -0.30 0.10 -0.76 0.00 0.00 0.00 175.10 174.44 2cqb s LEU 8 N 3.02 4.13 -0.21 3.92 1.43 0.30 -2.56 118.68 128.70 2cqb s LEU 8 Ca 0.33 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 2cqb s LEU 8 Cb -0.14 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2cqb s LEU 8 CO 0.14 0.39 0.21 -0.47 0.23 0.00 0.00 176.35 176.85 2cqb s TYR 9 N -0.93 3.37 -0.08 0.29 6.14 0.99 -1.45 117.35 125.68 2cqb s TYR 9 Ca 0.14 0.37 0.03 0.00 0.64 0.00 0.00 57.07 58.25 2cqb s TYR 9 Cb -0.12 -2.29 -0.02 0.00 0.42 0.00 0.00 41.96 39.95 2cqb s TYR 9 CO 0.03 0.13 -0.17 0.08 0.64 0.00 0.00 175.55 176.26 2cqb s VAL 10 N 0.84 2.74 0.28 3.14 1.01 -0.64 -1.61 120.40 126.17 2cqb s VAL 10 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2cqb s VAL 10 Cb -0.13 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2cqb s VAL 10 CO 0.03 0.56 0.09 -0.83 0.00 0.00 0.00 175.10 174.96 2cqb s GLY 11 N -0.15 1.88 -1.31 4.51 0.00 0.12 -1.85 107.32 110.52 2cqb s GLY 11 Ca -0.02 -1.88 -0.04 0.00 0.00 0.00 0.00 44.72 42.78 2cqb s GLY 11 CO 0.04 -1.66 0.59 0.61 0.00 0.00 0.00 173.10 172.68 2cqb n GLY 12 N -0.55 -0.34 3.15 0.20 0.00 -0.71 -1.35 105.19 105.58 2cqb n GLY 12 Ca -0.01 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.61 0.00 -4.99 0.99 4.77 -1.05 -4.38 117.00 108.74 2cqb n LEU 13 Ca -0.08 -1.24 -0.22 0.00 -0.03 0.00 0.00 56.01 54.44 2cqb n LEU 13 Cb 0.60 -0.80 0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2cqb n LEU 13 CO 0.43 -1.24 0.43 0.00 -1.33 0.00 0.00 177.39 175.68 2cqb s ALA 14 N -3.90 3.93 -0.34 -1.18 0.00 -1.26 -4.85 121.76 114.17 2cqb s ALA 14 Ca 0.61 -1.58 0.21 0.00 0.00 0.00 0.00 51.96 51.19 2cqb s ALA 14 Cb -0.02 -1.97 0.22 0.00 0.00 0.00 0.00 23.12 21.35 2cqb s ALA 14 CO 0.42 -1.02 1.50 1.05 0.00 0.00 0.00 175.76 177.71 2cqb h GLU 15 N -0.13 0.00 0.00 0.00 4.11 -1.95 -3.26 114.58 113.34 2cqb h GLU 15 Ca -0.38 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.01 2cqb h GLU 15 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2cqb h GLU 15 CO 0.46 0.15 -1.75 0.39 0.07 0.00 0.00 179.01 178.33 2cqb n GLU 16 N -3.10 0.65 -1.88 1.06 -0.58 -1.26 -4.92 120.64 110.61 2cqb n GLU 16 Ca 0.03 -0.08 -0.42 0.00 -0.42 0.00 0.00 57.16 56.26 2cqb n GLU 16 Cb 0.60 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 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 -3.38 3.03 0.30 2.62 1.01 -1.23 -4.89 120.40 117.87 2cqb s VAL 17 Ca -0.06 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.37 2cqb s VAL 17 Cb 0.12 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2cqb s VAL 17 CO 0.87 -0.01 0.20 1.51 0.00 0.00 0.00 175.10 177.67 2cqb s ASP 18 N 2.77 1.36 0.51 3.32 1.47 -1.26 -4.79 116.67 120.05 2cqb s ASP 18 Ca 0.76 -1.61 0.44 0.00 1.18 0.00 0.00 52.55 53.32 2cqb s ASP 18 Cb -0.40 0.47 1.62 0.00 -0.34 0.00 0.00 42.92 44.26 2cqb s ASP 18 CO 0.33 -0.96 1.51 -0.90 0.68 0.00 0.00 175.17 175.84 2cqb n ASP 19 N -1.07 0.05 0.19 2.11 5.68 -1.26 -0.16 116.55 122.10 2cqb n ASP 19 Ca 0.04 1.06 -0.08 0.00 -0.50 0.00 0.00 54.79 55.30 2cqb n ASP 19 Cb 0.64 -0.53 -0.04 0.00 -1.14 0.00 0.00 41.12 40.05 2cqb n ASP 19 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2cqb h LYS 20 N 0.00 -0.53 -0.95 0.11 1.57 -1.96 0.24 116.57 115.05 2cqb h LYS 20 Ca 0.90 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.82 2cqb h LYS 20 Cb 3.42 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 35.78 2cqb h LYS 20 CO -0.13 -0.36 0.61 0.28 -0.57 0.00 0.00 179.45 179.29 2cqb h VAL 21 N -1.08 0.93 -0.10 0.50 2.07 -0.89 -1.06 116.25 116.62 2cqb h VAL 21 Ca -0.06 -0.32 -0.23 0.00 0.82 0.00 0.00 66.70 66.91 2cqb h VAL 21 Cb 0.42 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2cqb h VAL 21 CO 0.09 0.17 -0.84 -0.07 0.02 0.00 0.00 177.57 176.94 2cqb h LEU 22 N 0.93 0.91 0.19 2.57 3.38 -0.92 -2.17 115.31 120.20 2cqb h LEU 22 Ca 0.46 -0.67 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2cqb h LEU 22 Cb 0.48 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2cqb h LEU 22 CO -0.22 1.44 -0.22 -0.74 0.09 0.00 0.00 178.44 178.79 2cqb h HIS 23 N 0.45 -0.57 0.00 1.13 2.76 0.39 0.16 115.15 119.46 2cqb h HIS 23 Ca -0.08 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 2cqb h HIS 23 Cb 1.48 0.23 -0.00 0.00 1.55 0.00 0.00 27.41 30.67 2cqb h HIS 23 CO 0.10 -0.32 -0.13 0.00 -1.30 0.00 0.00 177.93 176.27 2cqb h ALA 24 N 0.28 1.09 0.00 5.26 0.00 -1.32 0.39 119.26 124.97 2cqb h ALA 24 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2cqb h ALA 24 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2cqb h ALA 24 CO -0.07 0.16 -0.23 0.00 0.00 0.00 0.00 179.25 179.11 2cqb n ALA 25 N -2.20 2.53 0.01 0.00 0.00 -0.72 -3.62 120.51 116.51 2cqb n ALA 25 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2cqb n ALA 25 Cb 0.32 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.20 0.00 0.14 0.00 3.01 0.47 -4.66 117.46 114.22 2cqb n PHE 26 Ca 0.05 -0.01 0.07 0.00 1.01 0.00 0.00 57.45 58.56 2cqb n PHE 26 Cb 0.43 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.45 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 0.07 1.04 0.91 4.37 6.09 -0.31 -3.04 117.51 126.64 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 0.03 0.78 0.01 0.00 0.47 0.00 0.00 36.82 38.10 2cqb h ILE 27 CO 0.00 0.04 -0.44 -0.65 -3.07 0.00 0.00 178.15 174.04 2cqb h PRO 28 N 0.24 -1.18 0.00 2.19 0.11 -1.83 -3.32 132.00 128.22 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 -0.00 0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2cqb h PRO 28 CO -0.02 -0.79 0.00 1.19 -0.21 0.00 0.00 178.00 178.18 2cqb n PHE 29 N -5.62 0.00 -1.34 0.65 3.72 -1.15 -4.89 117.46 108.83 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 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 5.23 3.21 1.37 0.00 -1.24 -5.04 105.19 107.72 2cqb n GLY 30 Ca 0.00 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 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 1.14 5.47 -0.16 1.61 1.11 -1.26 -4.61 116.67 119.97 2cqb s ASP 31 Ca 0.00 -1.68 -0.29 0.00 0.18 0.00 0.00 52.55 50.76 2cqb s ASP 31 Cb 0.00 -1.92 -0.06 0.00 1.07 0.00 0.00 42.92 42.01 2cqb s ASP 31 CO 0.00 -0.53 2.06 -0.63 1.18 0.00 0.00 175.17 177.25 2cqb s ILE 32 N 1.32 3.11 0.08 0.77 1.01 -1.26 -3.02 121.20 123.22 2cqb s ILE 32 Ca 0.04 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 2cqb s ILE 32 Cb -0.23 -3.12 -0.25 0.00 0.01 0.00 0.00 42.46 38.86 2cqb s ILE 32 CO -0.00 -0.06 1.18 0.71 0.00 0.00 0.00 174.94 176.76 2cqb h THR 33 N 6.61 1.34 -1.50 2.92 1.35 -1.83 -3.48 112.91 118.33 2cqb h THR 33 Ca -0.42 -2.50 0.10 0.00 -0.55 0.00 0.00 66.41 63.04 2cqb h THR 33 Cb 1.23 2.60 -0.25 0.00 -1.73 0.00 0.00 68.15 70.00 2cqb h THR 33 CO 0.96 0.75 0.58 -0.62 -0.25 0.00 0.00 175.52 176.95 2cqb s ASP 34 N -7.28 -0.34 -0.01 5.36 -1.08 -1.26 -5.07 116.67 106.99 2cqb s ASP 34 Ca -0.08 0.46 0.08 0.00 -0.52 0.00 0.00 52.55 52.49 2cqb s ASP 34 Cb 0.07 0.40 -0.02 0.00 -1.46 0.00 0.00 42.92 41.90 2cqb s ASP 34 CO 0.91 -0.26 -0.25 -0.63 0.52 0.00 0.00 175.17 175.46 2cqb s ILE 35 N -0.75 1.96 -0.16 4.11 1.01 -1.26 -1.77 121.20 124.34 2cqb s ILE 35 Ca 0.01 -1.11 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 2cqb s ILE 35 Cb -0.02 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2cqb s ILE 35 CO -0.02 0.51 -0.13 -1.10 0.00 0.00 0.00 174.94 174.21 2cqb s GLN 36 N -0.69 3.30 -0.19 2.79 1.11 -0.01 -5.03 119.66 120.94 2cqb s GLN 36 Ca 0.10 -0.70 0.01 0.00 0.01 0.00 0.00 55.36 54.77 2cqb s GLN 36 Cb -0.10 -2.70 0.04 0.00 -1.01 0.00 0.00 33.01 29.24 2cqb s GLN 36 CO -0.00 0.04 -0.12 0.42 0.01 0.00 0.00 175.29 175.64 2cqb s ILE 37 N 0.79 1.70 -0.35 1.08 -1.09 -1.26 -1.68 121.20 120.38 2cqb s ILE 37 Ca -0.05 -0.98 -0.28 0.00 -2.23 0.00 0.00 60.65 57.11 2cqb s ILE 37 Cb -0.15 -1.72 -0.01 0.00 -1.58 0.00 0.00 42.46 38.99 2cqb s ILE 37 CO 0.01 0.24 1.70 -2.16 -1.23 0.00 0.00 174.94 173.50 2cqb s PRO 38 N 1.38 3.38 0.12 2.79 0.04 -1.26 -4.98 135.00 136.47 2cqb s PRO 38 Ca -0.00 1.29 0.05 0.00 0.04 0.00 0.00 61.00 62.38 2cqb s PRO 38 Cb -0.16 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 2cqb s PRO 38 CO -0.09 -1.80 -0.12 -0.51 0.04 0.00 0.00 177.00 174.53 2cqb s LEU 39 N 6.56 2.44 0.00 -3.56 1.43 -1.26 -4.22 118.68 120.06 2cqb s LEU 39 Ca 0.75 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 2cqb s LEU 39 Cb -0.20 -0.41 0.10 0.00 0.03 0.00 0.00 46.19 45.71 2cqb s LEU 39 CO 0.33 -0.23 0.61 -0.67 0.23 0.00 0.00 176.35 176.62 2cqb n ASP 40 N 0.36 0.15 -0.06 2.29 2.03 -1.25 -4.83 116.55 115.24 2cqb n ASP 40 Ca -0.14 -1.28 -0.05 0.00 0.52 0.00 0.00 54.79 53.83 2cqb n ASP 40 Cb 0.58 -0.46 -0.11 0.00 -0.72 0.00 0.00 41.12 40.41 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 -2.74 0.00 0.13 -0.67 4.19 -1.26 -2.79 117.16 114.02 2cqb n TYR 41 Ca 0.08 0.00 -0.24 0.00 3.31 0.00 0.00 57.90 61.05 2cqb n TYR 41 Cb 0.28 -0.67 -0.16 0.00 0.49 0.00 0.00 39.34 39.28 2cqb n TYR 41 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 2cqb h GLU 42 N 0.00 0.51 0.00 2.98 4.39 -2.02 -3.41 114.58 117.03 2cqb h GLU 42 Ca -0.34 -0.87 -0.01 0.00 0.34 0.00 0.00 59.36 58.48 2cqb h GLU 42 Cb 1.75 0.32 -0.00 0.00 -0.10 0.00 0.00 28.75 30.72 2cqb h GLU 42 CO 0.02 1.41 -1.04 0.25 -1.16 0.00 0.00 179.01 178.49 2cqb n THR 43 N -3.74 0.04 -3.37 1.13 -2.24 -1.26 -5.04 114.28 99.80 2cqb n THR 43 Ca -0.18 -0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 2cqb n THR 43 Cb 1.08 -0.87 0.07 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.15 -6.39 -4.06 -0.78 1.02 -1.12 -4.87 120.64 102.30 2cqb n GLU 44 Ca -0.01 0.67 -0.27 0.00 -0.02 0.00 0.00 57.16 57.53 2cqb n GLU 44 Cb 0.52 -5.24 -0.05 0.00 -0.02 0.00 0.00 31.44 26.65 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 -5.99 2.97 0.10 3.49 -0.14 -1.26 -4.47 119.74 114.43 2cqb s LYS 45 Ca 0.44 -0.81 0.02 0.00 -1.36 0.00 0.00 55.97 54.26 2cqb s LYS 45 Cb -0.19 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.22 2cqb s LYS 45 CO 0.59 0.50 0.15 -3.38 -0.76 0.00 0.00 175.35 172.45 2cqb s HIS 46 N -1.70 3.32 -0.01 3.18 -3.43 -1.26 -3.77 115.29 111.61 2cqb s HIS 46 Ca 0.31 0.12 -0.17 0.00 -0.80 0.00 0.00 55.06 54.52 2cqb s HIS 46 Cb -0.10 -1.65 -0.33 0.00 -1.43 0.00 0.00 32.58 29.06 2cqb s HIS 46 CO 0.24 0.54 0.89 0.00 -2.00 0.00 0.00 174.74 174.41 2cqb h ARG 47 N 2.93 0.43 0.00 -0.38 2.47 -1.97 -3.48 114.38 114.39 2cqb h ARG 47 Ca -0.47 -0.74 0.00 0.00 -1.26 0.00 0.00 59.98 57.52 2cqb h ARG 47 Cb 1.17 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.77 2cqb h ARG 47 CO 0.69 1.35 0.00 0.41 0.56 0.00 0.00 179.97 182.98 2cqb n GLY 48 N 1.72 0.00 3.59 0.04 0.00 -1.26 -4.93 105.19 104.35 2cqb n GLY 48 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.19 0.16 1.61 -0.71 -1.26 -1.74 117.98 115.84 2cqb s PHE 49 Ca 0.00 0.06 -0.19 0.00 -1.04 0.00 0.00 56.93 55.76 2cqb s PHE 49 Cb 0.00 0.55 0.07 0.00 -1.21 0.00 0.00 43.02 42.43 2cqb s PHE 49 CO 0.00 -0.45 0.92 0.00 -1.34 0.00 0.00 175.22 174.35 2cqb n ALA 50 N -0.28 -2.40 -3.72 1.99 0.00 -0.77 -4.53 120.51 110.79 2cqb n ALA 50 Ca -0.05 -0.90 -0.26 0.00 0.00 0.00 0.00 53.44 52.22 2cqb n ALA 50 Cb 0.61 0.49 -0.17 0.00 0.00 0.00 0.00 19.45 20.38 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 -2.55 1.57 -0.14 0.00 0.40 -0.68 -1.61 117.98 114.97 2cqb s PHE 51 Ca 0.20 -0.71 -0.03 0.00 -0.60 0.00 0.00 56.93 55.79 2cqb s PHE 51 Cb -0.02 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 2cqb s PHE 51 CO 0.05 -0.43 -0.04 0.08 0.70 0.00 0.00 175.22 175.58 2cqb s VAL 52 N 1.23 3.92 -0.17 -0.44 1.01 -0.53 -0.83 120.40 124.59 2cqb s VAL 52 Ca -0.04 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 2cqb s VAL 52 Cb -0.14 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2cqb s VAL 52 CO -0.03 0.51 0.24 -0.70 0.00 0.00 0.00 175.10 175.12 2cqb s GLU 53 N 0.14 4.23 0.13 2.72 2.12 -0.73 -0.54 118.70 126.77 2cqb s GLU 53 Ca -0.01 -0.00 0.03 0.00 0.36 0.00 0.00 54.97 55.35 2cqb s GLU 53 Cb -0.14 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 2cqb s GLU 53 CO 0.03 0.26 0.22 -0.06 -0.54 0.00 0.00 175.26 175.16 2cqb s PHE 54 N 0.43 3.38 0.23 5.30 0.40 -0.52 -2.76 117.98 124.44 2cqb s PHE 54 Ca 0.14 0.11 -0.06 0.00 -0.60 0.00 0.00 56.93 56.51 2cqb s PHE 54 Cb -0.12 -1.64 0.22 0.00 0.51 0.00 0.00 43.02 41.98 2cqb s PHE 54 CO 0.02 0.53 1.82 1.49 0.70 0.00 0.00 175.22 179.78 2cqb h GLU 55 N 2.49 1.18 -5.23 0.44 4.81 -1.88 -3.45 114.58 112.95 2cqb h GLU 55 Ca -0.47 -0.18 -0.43 0.00 -0.13 0.00 0.00 59.36 58.14 2cqb h GLU 55 Cb 1.19 -0.21 -0.14 0.00 0.63 0.00 0.00 28.75 30.22 2cqb h GLU 55 CO 0.68 0.92 -0.65 -0.51 -0.73 0.00 0.00 179.01 178.73 2cqb s LEU 56 N -9.75 2.25 -0.09 1.64 1.43 -1.26 -5.08 118.68 107.82 2cqb s LEU 56 Ca -0.12 -1.26 -0.24 0.00 -1.03 0.00 0.00 54.13 51.48 2cqb s LEU 56 Cb 0.16 -0.39 -0.20 0.00 0.03 0.00 0.00 46.19 45.80 2cqb s LEU 56 CO 0.83 -0.50 0.82 0.00 0.23 0.00 0.00 176.35 177.73 2cqb h ALA 57 N 2.32 -0.05 -0.60 4.21 0.00 -1.87 -3.17 119.26 120.10 2cqb h ALA 57 Ca -0.39 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.30 2cqb h ALA 57 Cb 1.23 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 2cqb h ALA 57 CO 0.66 -0.12 -0.24 1.05 0.00 0.00 0.00 179.25 180.60 2cqb h GLU 58 N -0.86 -0.08 -1.00 0.00 4.11 -1.98 0.23 114.58 114.98 2cqb h GLU 58 Ca -0.01 0.01 0.12 0.00 0.07 0.00 0.00 59.36 59.55 2cqb h GLU 58 Cb 0.69 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 2cqb h GLU 58 CO 0.01 -0.06 0.63 -0.44 0.07 0.00 0.00 179.01 179.23 2cqb h ASP 59 N -0.09 0.93 0.36 3.06 5.19 -1.93 -2.20 116.42 121.74 2cqb h ASP 59 Ca 0.27 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.71 2cqb h ASP 59 Cb 0.51 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.88 2cqb h ASP 59 CO -0.66 0.49 -0.17 0.00 -3.12 0.00 0.00 179.24 175.79 2cqb h ALA 60 N 1.54 -0.48 -0.77 3.45 0.00 -0.56 -1.88 119.26 120.57 2cqb h ALA 60 Ca 0.50 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.44 2cqb h ALA 60 Cb 0.49 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 2cqb h ALA 60 CO -0.26 -0.76 0.33 0.00 0.00 0.00 0.00 179.25 178.56 2cqb h ALA 61 N 0.16 1.09 -0.59 0.00 0.00 -0.75 -0.79 119.26 118.38 2cqb h ALA 61 Ca -0.05 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2cqb h ALA 61 Cb 0.37 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2cqb h ALA 61 CO 0.08 -0.17 0.36 0.00 0.00 0.00 0.00 179.25 179.52 2cqb h ALA 62 N 1.54 0.74 -0.99 0.00 0.00 -1.18 -1.91 119.26 117.47 2cqb h ALA 62 Ca 0.42 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.29 2cqb h ALA 62 Cb 0.61 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2cqb h ALA 62 CO -0.38 0.21 0.65 0.00 0.00 0.00 0.00 179.25 179.73 2cqb h ALA 63 N 1.19 1.33 0.55 0.00 0.00 -0.34 -2.71 119.26 119.27 2cqb h ALA 63 Ca 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2cqb h ALA 63 Cb -0.04 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.39 2cqb h ALA 63 CO -0.04 0.59 -0.27 0.82 0.00 0.00 0.00 179.25 180.35 2cqb h ILE 64 N 1.28 0.34 -1.32 0.00 2.04 -0.88 0.55 117.51 119.52 2cqb h ILE 64 Ca 0.38 -0.34 0.38 0.00 1.00 0.00 0.00 64.86 66.29 2cqb h ILE 64 Cb -0.06 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 2cqb h ILE 64 CO -0.11 0.04 0.98 0.44 0.00 0.00 0.00 178.15 179.50 2cqb h ASP 65 N -0.99 0.00 0.00 1.72 3.32 -1.24 0.50 116.42 119.74 2cqb h ASP 65 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2cqb h ASP 65 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2cqb h ASP 65 CO 0.12 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.23 2cqb n ASN 66 N -4.06 0.00 -0.57 6.45 3.02 -1.03 -4.39 115.26 114.67 2cqb n ASN 66 Ca 0.29 0.08 0.47 0.00 -0.03 0.00 0.00 54.58 55.38 2cqb n ASN 66 Cb 1.40 -0.25 0.76 0.00 -0.61 0.00 0.00 39.78 41.07 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 -6.00 3.52 2.86 0.17 -3.38 114.93 112.10 2cqb h MET 67 Ca 0.00 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.97 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 1.40 -1.71 1.06 0.00 0.00 176.91 177.66 2cqb n ASN 68 N -3.85 2.26 -3.41 1.22 4.05 0.18 -0.35 115.26 115.35 2cqb n ASN 68 Ca 0.38 0.44 -0.23 0.00 0.45 0.00 0.00 54.58 55.63 2cqb n ASN 68 Cb 1.83 -1.28 0.07 0.00 1.23 0.00 0.00 39.78 41.63 2cqb n ASN 68 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2cqb n GLU 69 N 8.09 -7.50 -1.52 1.20 1.02 -0.70 -4.92 120.64 116.31 2cqb n GLU 69 Ca 0.39 0.78 -0.17 0.00 -0.02 0.00 0.00 57.16 58.15 2cqb n GLU 69 Cb 0.24 -5.69 0.11 0.00 -0.02 0.00 0.00 31.44 26.08 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 -2.75 0.43 -4.12 1.62 3.41 0.52 -4.80 113.62 107.94 2cqb n SER 70 Ca 0.01 -1.50 -0.34 0.00 -0.26 0.00 0.00 58.87 56.77 2cqb n SER 70 Cb 0.56 -0.55 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 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 -4.54 2.10 -0.07 4.33 2.12 -1.26 -2.78 118.70 118.60 2cqb s GLU 71 Ca 0.46 -1.57 0.02 0.00 0.36 0.00 0.00 54.97 54.25 2cqb s GLU 71 Cb -0.02 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 31.09 2cqb s GLU 71 CO 0.31 -0.82 -0.13 -1.17 -0.54 0.00 0.00 175.26 172.92 2cqb s LEU 72 N 1.14 1.67 -1.44 2.70 2.96 0.76 -4.74 118.68 121.72 2cqb s LEU 72 Ca 0.02 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2cqb s LEU 72 Cb -0.21 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.64 2cqb s LEU 72 CO -0.04 0.04 0.27 0.49 -1.32 0.00 0.00 176.35 175.79 2cqb n PHE 73 N 3.79 -1.29 -1.44 5.38 3.01 -1.26 -1.63 117.46 124.01 2cqb n PHE 73 Ca -0.23 0.23 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 2cqb n PHE 73 Cb 0.52 -3.81 -0.04 0.00 -0.01 0.00 0.00 39.48 36.14 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 -1.23 1.08 3.23 1.37 0.00 -1.26 -4.99 105.19 103.39 2cqb n GLY 74 Ca -0.15 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.17 1.37 -0.16 1.61 1.70 -0.65 -5.14 118.95 114.51 2cqb s ARG 75 Ca 0.00 -1.75 -0.06 0.00 -0.47 0.00 0.00 55.73 53.45 2cqb s ARG 75 Cb 0.00 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 2cqb s ARG 75 CO 0.00 -0.47 0.02 0.99 -1.08 0.00 0.00 175.30 174.77 2cqb s THR 76 N -3.94 4.42 0.28 4.99 2.01 -1.26 -0.17 115.64 121.97 2cqb s THR 76 Ca 0.39 -0.17 0.09 0.00 0.31 0.00 0.00 61.69 62.32 2cqb s THR 76 Cb 0.06 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2cqb s THR 76 CO 0.17 0.49 0.00 0.27 -0.69 0.00 0.00 174.62 174.86 2cqb s ILE 77 N 0.23 3.36 -0.17 1.82 -4.36 -1.12 -4.79 121.20 116.18 2cqb s ILE 77 Ca 0.01 -1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 58.48 2cqb s ILE 77 Cb -0.13 -2.84 -0.01 0.00 1.25 0.00 0.00 42.46 40.73 2cqb s ILE 77 CO 0.01 -0.35 -0.10 -0.13 0.24 0.00 0.00 174.94 174.61 2cqb s ARG 78 N -3.69 3.35 0.03 0.37 0.52 -0.46 -1.72 118.95 117.35 2cqb s ARG 78 Ca 0.32 -0.67 0.09 0.00 -0.52 0.00 0.00 55.73 54.94 2cqb s ARG 78 Cb -0.06 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 2cqb s ARG 78 CO 0.20 0.03 -0.25 0.08 0.02 0.00 0.00 175.30 175.37 2cqb s VAL 79 N 0.84 2.02 -0.07 3.52 1.01 -1.26 0.11 120.40 126.57 2cqb s VAL 79 Ca -0.03 -1.26 -0.32 0.00 0.00 0.00 0.00 61.98 60.37 2cqb s VAL 79 Cb -0.15 -1.71 0.12 0.00 0.00 0.00 0.00 36.38 34.64 2cqb s VAL 79 CO 0.00 0.40 1.19 0.21 0.00 0.00 0.00 175.10 176.90 2cqb s ASN 80 N -1.03 -0.13 0.28 3.32 2.47 -0.64 -4.68 114.94 114.54 2cqb s ASN 80 Ca 0.10 -0.09 -0.30 0.00 0.42 0.00 0.00 52.86 52.99 2cqb s ASN 80 Cb -0.10 0.21 -0.13 0.00 -1.45 0.00 0.00 41.25 39.78 2cqb s ASN 80 CO 0.01 -0.36 1.35 0.18 -3.72 0.00 0.00 177.10 174.56 2cqb n LEU 81 N -0.30 3.26 -4.66 3.21 4.77 -1.26 -0.01 117.00 122.01 2cqb n LEU 81 Ca -0.05 1.17 -0.64 0.00 -0.03 0.00 0.00 56.01 56.46 2cqb n LEU 81 Cb 0.61 -1.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.16 2cqb n LEU 81 CO 0.11 -0.50 0.94 0.00 -1.33 0.00 0.00 177.39 176.60 2cqb n ALA 82 N 1.25 -2.20 -2.78 -1.18 0.00 -1.06 -4.64 120.51 109.91 2cqb n ALA 82 Ca 0.09 0.54 -0.32 0.00 0.00 0.00 0.00 53.44 53.74 2cqb n ALA 82 Cb 0.33 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 17.87 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 1.88 3.55 -0.34 0.00 -2.85 -1.26 -5.01 119.74 115.71 2cqb s LYS 83 Ca 1.00 -0.20 -0.29 0.00 -1.00 0.00 0.00 55.97 55.48 2cqb s LYS 83 Cb -1.41 -2.98 -0.01 0.00 -2.06 0.00 0.00 37.83 31.37 2cqb s LYS 83 CO 0.72 0.57 1.69 -1.25 0.10 0.00 0.00 175.35 177.18 2cqb s PRO 84 N -2.33 3.43 0.25 1.78 0.04 -1.26 -4.94 135.00 131.97 2cqb s PRO 84 Ca 0.35 1.32 -0.25 0.00 0.04 0.00 0.00 61.00 62.47 2cqb s PRO 84 Cb -0.13 -4.14 -0.16 0.00 0.04 0.00 0.00 34.50 30.11 2cqb s PRO 84 CO 0.23 -1.75 0.36 -0.12 0.04 0.00 0.00 177.00 175.76 2cqb n MET 85 N 8.30 0.00 -4.27 4.56 1.56 -1.26 -4.94 117.12 121.08 2cqb n MET 85 Ca 0.21 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.29 2cqb n MET 85 Cb 0.47 -0.95 -0.10 0.00 2.15 0.00 0.00 33.22 34.79 2cqb n MET 85 CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 2cqb s ARG 86 N -0.95 3.35 0.37 2.12 3.52 -1.26 -5.11 118.95 121.00 2cqb s ARG 86 Ca 0.60 -0.39 0.06 0.00 -0.13 0.00 0.00 55.73 55.87 2cqb s ARG 86 Cb -0.79 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 2cqb s ARG 86 CO 0.56 0.53 0.23 0.96 -0.81 0.00 0.00 175.30 176.77 2cqb s ILE 87 N -0.40 0.19 -0.08 4.11 -0.00 -1.26 -5.02 121.20 118.73 2cqb s ILE 87 Ca 0.08 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.73 2cqb s ILE 87 Cb -0.12 -2.41 0.07 0.00 -0.00 0.00 0.00 42.46 40.01 2cqb s ILE 87 CO 0.02 0.00 1.69 1.17 -0.00 0.00 0.00 174.94 177.82 2cqb n LYS 88 N -0.77 1.21 -3.73 0.37 4.81 -1.26 -4.74 118.16 114.05 2cqb n LYS 88 Ca 0.02 -0.45 -0.16 0.00 -0.87 0.00 0.00 58.31 56.86 2cqb n LYS 88 Cb 0.63 -1.18 -0.16 0.00 0.02 0.00 0.00 35.03 34.34 2cqb n LYS 88 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2cqb s GLU 89 N -0.51 -0.00 -0.02 1.64 2.56 -1.26 -5.15 118.70 115.96 2cqb s GLU 89 Ca 0.09 0.34 0.01 0.00 0.00 0.00 0.00 54.97 55.41 2cqb s GLU 89 Cb 0.07 -0.29 0.01 0.00 2.00 0.00 0.00 34.13 35.91 2cqb s GLU 89 CO 0.00 -0.23 -0.05 0.45 -0.56 0.00 0.00 175.26 174.88 2cqb s SER 90 N 1.53 0.70 0.35 -1.70 0.15 -1.26 -5.12 113.70 108.35 2cqb s SER 90 Ca -0.04 -0.10 -0.28 0.00 0.70 0.00 0.00 55.95 56.23 2cqb s SER 90 Cb -0.12 -0.20 -0.12 0.00 -1.71 0.00 0.00 66.02 63.87 2cqb s SER 90 CO -0.04 0.01 1.40 0.61 1.20 0.00 0.00 173.24 176.42 2cqb n GLY 91 N 3.42 0.92 3.65 9.45 0.00 -1.26 -4.90 105.19 116.46 2cqb n GLY 91 Ca -0.19 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.86 4.00 1.15 1.61 0.04 -1.26 -4.99 135.00 133.68 2cqb s PRO 92 Ca 0.55 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 63.30 2cqb s PRO 92 Cb -0.52 -3.97 0.27 0.00 0.04 0.00 0.00 34.50 30.31 2cqb s PRO 92 CO 0.62 -1.04 0.98 -1.13 0.04 0.00 0.00 177.00 176.47 2cqb n SER 93 N 7.68 -1.53 -4.06 6.66 3.41 -1.26 -5.03 113.62 119.49 2cqb n SER 93 Ca 0.17 -0.09 -0.28 0.00 -0.26 0.00 0.00 58.87 58.42 2cqb n SER 93 Cb 0.44 -1.27 -0.17 0.00 -0.26 0.00 0.00 64.21 62.95 2cqb n SER 93 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqb s SER 94 N -2.40 2.30 0.00 4.04 0.15 -1.26 -5.32 113.70 111.21 2cqb s SER 94 Ca 0.68 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2cqb s SER 94 Cb -0.25 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 2cqb s SER 94 CO 0.64 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.72