#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 -1.22 -0.03 1.61 1.04 -1.26 -5.06 113.70 108.78 2cqb s SER -5 Ca 0.00 1.29 -0.21 0.00 0.48 0.00 0.00 55.95 57.51 2cqb s SER -5 Cb 0.00 2.24 -0.14 0.00 0.10 0.00 0.00 66.02 68.22 2cqb s SER -5 CO 0.00 -0.24 0.91 0.28 0.98 0.00 0.00 173.24 175.17 2cqb h SER -4 N 8.00 -0.33 -2.38 7.02 0.02 -2.13 -3.40 113.55 120.36 2cqb h SER -4 Ca -0.20 -0.20 -0.63 0.00 -0.84 0.00 0.00 61.79 59.92 2cqb h SER -4 Cb 1.12 0.09 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 2cqb h SER -4 CO 0.16 0.14 0.79 -0.83 -1.14 0.00 0.00 176.83 175.95 2cqb s GLY -3 N -3.01 1.44 -0.10 -3.77 0.00 -1.26 -4.86 107.32 95.76 2cqb s GLY -3 Ca -0.12 -2.07 -0.02 0.00 0.00 0.00 0.00 44.72 42.51 2cqb s GLY -3 CO 0.43 2.19 -0.03 1.76 0.00 0.00 0.00 173.10 177.45 2cqb h SER -2 N 9.46 0.00 -5.36 1.64 0.02 -2.03 -3.49 113.55 113.79 2cqb h SER -2 Ca -0.12 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 2cqb h SER -2 Cb 1.05 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.47 2cqb h SER -2 CO 1.20 0.51 -0.31 -0.44 -1.14 0.00 0.00 176.83 176.65 2cqb s SER -1 N -5.41 0.01 -0.30 3.07 0.01 -1.26 -5.17 113.70 104.65 2cqb s SER -1 Ca -0.03 -1.07 -0.16 0.00 1.31 0.00 0.00 55.95 56.00 2cqb s SER -1 Cb 0.00 0.50 0.19 0.00 0.21 0.00 0.00 66.02 66.92 2cqb s SER -1 CO 0.04 -1.01 1.17 -0.83 0.41 0.00 0.00 173.24 173.03 2cqb s GLY 0 N -3.06 0.39 0.08 3.44 0.00 -1.26 -5.15 107.32 101.76 2cqb s GLY 0 Ca 0.27 3.60 -0.23 0.00 0.00 0.00 0.00 44.72 48.37 2cqb s GLY 0 CO 0.09 2.81 0.68 -3.16 0.00 0.00 0.00 173.10 173.52 2cqb s MET 1 N 1.29 4.40 0.22 2.90 0.00 -1.26 -5.06 119.30 121.79 2cqb s MET 1 Ca -0.07 0.94 -0.14 0.00 0.00 0.00 0.00 55.69 56.42 2cqb s MET 1 Cb -0.03 -3.29 0.01 0.00 0.00 0.00 0.00 34.83 31.52 2cqb s MET 1 CO -0.12 0.49 0.49 0.00 0.00 0.00 0.00 175.02 175.88 2cqb s ALA 2 N -0.73 -0.50 -0.15 3.16 0.00 -1.26 -5.08 121.76 117.21 2cqb s ALA 2 Ca 0.34 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 2cqb s ALA 2 Cb -0.21 0.96 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 2cqb s ALA 2 CO 0.22 -0.83 -0.17 0.25 0.00 0.00 0.00 175.76 175.23 2cqb n THR 3 N -0.35 0.81 -4.32 0.00 -2.24 -1.26 -5.01 114.28 101.90 2cqb n THR 3 Ca -0.05 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 2cqb n THR 3 Cb 0.62 -1.49 -0.09 0.00 -2.10 0.00 0.00 70.33 67.26 2cqb n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cqb s THR 4 N -2.27 4.42 0.00 4.28 2.01 -1.26 -4.98 115.64 117.84 2cqb s THR 4 Ca -0.20 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2cqb s THR 4 Cb 0.07 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.71 2cqb s THR 4 CO 0.28 0.60 0.00 0.29 -0.69 0.00 0.00 174.62 175.09 2cqb n LYS 5 N 2.25 2.04 -0.04 4.92 4.76 -1.26 -4.55 118.16 126.28 2cqb n LYS 5 Ca -0.19 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.12 2cqb n LYS 5 Cb 0.54 -0.92 -0.11 0.00 -1.84 0.00 0.00 35.03 32.69 2cqb n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2cqb h ARG 6 N 0.00 -0.01 -6.16 1.97 3.08 -1.90 -3.44 114.38 107.91 2cqb h ARG 6 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2cqb h ARG 6 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 2cqb h ARG 6 CO 0.00 0.75 0.85 0.08 -1.07 0.00 0.00 179.97 180.58 2cqb s VAL 7 N -3.05 4.34 0.19 2.04 1.01 -1.26 -3.17 120.40 120.49 2cqb s VAL 7 Ca -0.17 1.63 0.04 0.00 0.00 0.00 0.00 61.98 63.48 2cqb s VAL 7 Cb -0.01 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2cqb s VAL 7 CO 0.66 -0.12 0.26 -0.76 0.00 0.00 0.00 175.10 175.15 2cqb s LEU 8 N 3.24 4.17 -0.03 3.92 1.43 0.78 -3.11 118.68 129.08 2cqb s LEU 8 Ca 0.53 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 2cqb s LEU 8 Cb -0.21 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 2cqb s LEU 8 CO 0.15 0.02 -0.09 -0.47 0.23 0.00 0.00 176.35 176.18 2cqb s TYR 9 N -1.85 2.85 -0.04 0.29 6.14 0.11 -1.13 117.35 123.72 2cqb s TYR 9 Ca 0.33 -0.05 0.03 0.00 0.64 0.00 0.00 57.07 58.02 2cqb s TYR 9 Cb -0.10 -1.64 0.01 0.00 0.42 0.00 0.00 41.96 40.65 2cqb s TYR 9 CO 0.27 0.31 -0.11 0.08 0.64 0.00 0.00 175.55 176.74 2cqb s VAL 10 N -0.87 0.97 0.27 3.14 1.01 -0.10 -1.96 120.40 122.85 2cqb s VAL 10 Ca 0.14 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2cqb s VAL 10 Cb -0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2cqb s VAL 10 CO 0.04 0.30 0.08 -0.83 0.00 0.00 0.00 175.10 174.69 2cqb s GLY 11 N 0.34 1.79 -0.81 4.51 0.00 0.20 -1.51 107.32 111.83 2cqb s GLY 11 Ca -0.07 -1.90 -0.05 0.00 0.00 0.00 0.00 44.72 42.71 2cqb s GLY 11 CO 0.02 -1.65 0.61 0.61 0.00 0.00 0.00 173.10 172.69 2cqb n GLY 12 N -0.50 0.06 3.92 0.20 0.00 -0.71 -1.41 105.19 106.75 2cqb n GLY 12 Ca -0.01 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.53 3.90 0.00 0.99 1.43 -0.70 -4.21 118.68 115.56 2cqb s LEU 13 Ca 0.30 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 53.92 2cqb s LEU 13 Cb -0.13 -3.56 0.22 0.00 0.03 0.00 0.00 46.19 42.74 2cqb s LEU 13 CO 0.38 -0.36 1.27 0.00 0.23 0.00 0.00 176.35 177.86 2cqb n ALA 14 N -1.72 -1.49 1.08 4.21 0.00 -1.26 -4.56 120.51 116.78 2cqb n ALA 14 Ca -0.02 -1.65 0.13 0.00 0.00 0.00 0.00 53.44 51.90 2cqb n ALA 14 Cb 0.55 -0.08 0.47 0.00 0.00 0.00 0.00 19.45 20.39 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 -3.70 0.15 0.01 0.00 0.00 -1.26 -3.44 120.64 112.40 2cqb n GLU 15 Ca 0.16 -0.05 0.11 0.00 0.00 0.00 0.00 57.16 57.37 2cqb n GLU 15 Cb 0.55 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.40 2cqb n GLU 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2cqb n GLU 16 N -1.38 0.39 -2.48 3.44 1.02 -1.26 -4.94 120.64 115.44 2cqb n GLU 16 Ca 0.08 -0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.74 2cqb n GLU 16 Cb 0.33 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.15 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 -3.29 3.64 0.25 2.62 1.01 -1.22 -4.90 120.40 118.51 2cqb s VAL 17 Ca -0.00 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 63.45 2cqb s VAL 17 Cb 0.14 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2cqb s VAL 17 CO 0.86 0.31 0.41 -0.90 0.00 0.00 0.00 175.10 175.79 2cqb n ASP 18 N 1.81 -1.17 -0.33 3.32 5.75 -1.26 -4.90 116.55 119.76 2cqb n ASP 18 Ca 0.01 -2.20 0.27 0.00 -0.01 0.00 0.00 54.79 52.87 2cqb n ASP 18 Cb 0.45 2.06 0.58 0.00 -1.03 0.00 0.00 41.12 43.19 2cqb n ASP 18 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2cqb h ASP 19 N 1.33 0.31 0.38 -1.12 2.03 -1.97 0.20 116.42 117.59 2cqb h ASP 19 Ca -0.20 0.07 -0.02 0.00 -0.73 0.00 0.00 57.03 56.15 2cqb h ASP 19 Cb 0.81 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 2cqb h ASP 19 CO 0.26 0.04 -0.18 0.11 -1.03 0.00 0.00 179.24 178.44 2cqb h LYS 20 N 0.26 -0.49 -0.69 4.15 1.57 -1.97 -0.12 116.57 119.28 2cqb h LYS 20 Ca 0.61 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.45 2cqb h LYS 20 Cb 1.81 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 34.19 2cqb h LYS 20 CO -0.24 -0.18 0.43 0.28 -0.57 0.00 0.00 179.45 179.17 2cqb h VAL 21 N -0.90 1.09 0.00 0.50 2.07 -1.52 -0.00 116.25 117.48 2cqb h VAL 21 Ca -0.05 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2cqb h VAL 21 Cb 0.54 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2cqb h VAL 21 CO 0.09 0.15 -0.31 -0.07 0.02 0.00 0.00 177.57 177.45 2cqb h LEU 22 N 0.83 0.00 0.05 2.57 3.38 -0.70 0.21 115.31 121.65 2cqb h LEU 22 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2cqb h LEU 22 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2cqb h LEU 22 CO -0.11 0.31 -0.02 -0.74 0.09 0.00 0.00 178.44 177.97 2cqb h HIS 23 N 0.00 -0.06 0.00 1.13 2.76 0.09 -2.52 115.15 116.55 2cqb h HIS 23 Ca -0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2cqb h HIS 23 Cb 0.63 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 2cqb h HIS 23 CO 0.00 0.56 -0.04 0.00 -1.30 0.00 0.00 177.93 177.16 2cqb h ALA 24 N 0.04 0.99 0.00 5.26 0.00 -1.00 0.19 119.26 124.74 2cqb h ALA 24 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2cqb h ALA 24 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2cqb h ALA 24 CO 0.01 0.04 -0.28 0.00 0.00 0.00 0.00 179.25 179.03 2cqb h ALA 25 N 1.96 0.83 -0.00 0.00 0.00 -0.62 -3.30 119.26 118.14 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 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 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 -2.50 0.00 0.14 0.00 3.01 -0.95 -4.66 117.46 112.50 2cqb n PHE 26 Ca 0.04 -0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.57 2cqb n PHE 26 Cb 0.47 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.50 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 0.13 1.03 0.14 4.37 6.09 -0.70 -2.82 117.51 125.76 2cqb h ILE 27 Ca 0.00 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 63.40 2cqb h ILE 27 Cb 0.03 0.78 0.00 0.00 0.47 0.00 0.00 36.82 38.10 2cqb h ILE 27 CO 0.00 0.04 -0.07 -0.65 -3.07 0.00 0.00 178.15 174.40 2cqb h PRO 28 N 0.23 -0.19 -0.04 2.19 0.11 -1.83 -3.29 132.00 129.19 2cqb h PRO 28 Ca 0.07 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.20 2cqb h PRO 28 Cb 0.02 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2cqb h PRO 28 CO -0.02 -0.06 -0.08 0.74 -0.21 0.00 0.00 178.00 178.38 2cqb h PHE 29 N -0.27 -0.24 0.00 0.65 0.04 -1.83 -3.47 116.94 111.82 2cqb h PHE 29 Ca -0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2cqb h PHE 29 Cb 0.21 0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.47 2cqb h PHE 29 CO -0.04 -0.07 0.00 0.41 -0.60 0.00 0.00 178.31 178.00 2cqb n GLY 30 N -1.06 4.92 3.15 -1.45 0.00 -1.23 -5.04 105.19 104.49 2cqb n GLY 30 Ca -0.01 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 1.29 5.77 -0.33 1.61 -1.08 -1.26 -4.59 116.67 118.07 2cqb s ASP 31 Ca 0.00 -3.06 -0.39 0.00 -0.52 0.00 0.00 52.55 48.58 2cqb s ASP 31 Cb 0.00 -1.95 -0.15 0.00 -1.46 0.00 0.00 42.92 39.36 2cqb s ASP 31 CO 0.00 -0.36 1.93 -0.38 0.52 0.00 0.00 175.17 176.88 2cqb n ILE 32 N 3.28 0.23 0.04 4.11 5.41 -1.26 -3.74 119.36 127.42 2cqb n ILE 32 Ca 0.13 -0.11 -0.19 0.00 1.00 0.00 0.00 62.75 63.57 2cqb n ILE 32 Cb 0.39 -1.25 -0.13 0.00 -0.71 0.00 0.00 39.64 37.94 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 6.04 1.46 -3.14 1.39 1.35 -1.79 -3.49 112.91 114.74 2cqb h THR 33 Ca -0.36 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 2cqb h THR 33 Cb 1.33 2.95 -0.09 0.00 -1.73 0.00 0.00 68.15 70.61 2cqb h THR 33 CO 1.00 0.68 0.13 -1.81 -0.25 0.00 0.00 175.52 175.27 2cqb s ASP 34 N -6.94 -0.36 -0.02 5.36 1.01 -1.25 -5.05 116.67 109.42 2cqb s ASP 34 Ca -0.13 -0.36 -0.01 0.00 0.71 0.00 0.00 52.55 52.76 2cqb s ASP 34 Cb 0.02 0.62 0.01 0.00 1.01 0.00 0.00 42.92 44.58 2cqb s ASP 34 CO 0.84 -1.10 0.04 -0.63 0.21 0.00 0.00 175.17 174.53 2cqb s ILE 35 N -3.85 -0.01 -0.17 0.77 1.01 -1.26 -0.99 121.20 116.71 2cqb s ILE 35 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 2cqb s ILE 35 Cb -0.02 -0.07 -0.00 0.00 0.01 0.00 0.00 42.46 42.37 2cqb s ILE 35 CO -0.04 0.02 -0.13 -1.10 0.00 0.00 0.00 174.94 173.69 2cqb s GLN 36 N 0.26 3.27 -0.23 2.79 1.11 -0.18 -5.03 119.66 121.66 2cqb s GLN 36 Ca -0.02 -0.71 -0.03 0.00 0.01 0.00 0.00 55.36 54.61 2cqb s GLN 36 Cb -0.03 -2.71 0.01 0.00 -1.01 0.00 0.00 33.01 29.27 2cqb s GLN 36 CO -0.01 -0.01 -0.06 0.42 0.01 0.00 0.00 175.29 175.64 2cqb s ILE 37 N 0.90 3.06 -0.33 1.08 -1.09 -1.26 -1.33 121.20 122.23 2cqb s ILE 37 Ca -0.03 -0.76 -0.29 0.00 -2.23 0.00 0.00 60.65 57.35 2cqb s ILE 37 Cb -0.15 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.26 2cqb s ILE 37 CO -0.01 0.33 1.69 -2.16 -1.23 0.00 0.00 174.94 173.56 2cqb s PRO 38 N 1.40 3.45 0.31 2.79 0.04 -1.26 -4.99 135.00 136.74 2cqb s PRO 38 Ca 0.03 1.35 0.07 0.00 0.04 0.00 0.00 61.00 62.49 2cqb s PRO 38 Cb -0.15 -4.14 -0.06 0.00 0.04 0.00 0.00 34.50 30.19 2cqb s PRO 38 CO -0.05 -1.72 -0.04 -0.51 0.04 0.00 0.00 177.00 174.73 2cqb s LEU 39 N 6.34 2.52 0.55 -3.56 1.43 -1.26 -3.29 118.68 121.41 2cqb s LEU 39 Ca 0.75 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 2cqb s LEU 39 Cb -0.21 -0.69 0.05 0.00 0.03 0.00 0.00 46.19 45.37 2cqb s LEU 39 CO 0.33 -0.37 0.76 -1.81 0.23 0.00 0.00 176.35 175.49 2cqb s ASP 40 N -3.51 5.20 0.00 2.29 1.11 -1.17 -4.81 116.67 115.78 2cqb s ASP 40 Ca 0.32 -0.30 0.23 0.00 0.18 0.00 0.00 52.55 52.99 2cqb s ASP 40 Cb 0.05 -0.51 0.17 0.00 1.07 0.00 0.00 42.92 43.70 2cqb s ASP 40 CO 0.14 -1.19 1.20 0.00 1.18 0.00 0.00 175.17 176.50 2cqb n TYR 41 N -2.28 0.00 -0.04 4.23 4.11 -1.26 -2.56 117.16 119.36 2cqb n TYR 41 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.93 2cqb n TYR 41 Cb 0.60 -0.03 -0.04 0.00 -0.00 0.00 0.00 39.34 39.87 2cqb n TYR 41 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2cqb n GLU 42 N -0.24 0.21 -0.07 -3.48 1.02 -1.26 -4.81 120.64 112.02 2cqb n GLU 42 Ca 0.10 0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 57.24 2cqb n GLU 42 Cb 0.43 -1.05 -0.11 0.00 -0.02 0.00 0.00 31.44 30.69 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 -3.00 0.90 -2.96 2.62 -2.24 -1.26 -5.02 114.28 103.32 2cqb n THR 43 Ca -0.17 -0.57 -0.16 0.00 -2.27 0.00 0.00 64.05 60.88 2cqb n THR 43 Cb 0.65 -0.60 0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.49 -4.23 -4.30 -0.78 1.02 -1.06 -4.86 120.64 103.94 2cqb n GLU 44 Ca -0.22 0.62 -0.26 0.00 -0.02 0.00 0.00 57.16 57.29 2cqb n GLU 44 Cb 0.92 -4.91 -0.09 0.00 -0.02 0.00 0.00 31.44 27.35 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 -5.56 2.09 0.04 3.49 -2.85 -1.26 -4.48 119.74 111.22 2cqb s LYS 45 Ca 0.29 -1.33 0.01 0.00 -1.00 0.00 0.00 55.97 53.93 2cqb s LYS 45 Cb -0.13 -2.14 -0.04 0.00 -2.06 0.00 0.00 37.83 33.47 2cqb s LYS 45 CO 0.35 0.41 0.12 -3.38 0.10 0.00 0.00 175.35 172.96 2cqb s HIS 46 N -1.90 3.34 -0.10 1.78 -3.43 -1.21 -3.06 115.29 110.72 2cqb s HIS 46 Ca 0.27 0.18 -0.01 0.00 -0.80 0.00 0.00 55.06 54.70 2cqb s HIS 46 Cb -0.08 -1.71 0.01 0.00 -1.43 0.00 0.00 32.58 29.37 2cqb s HIS 46 CO 0.16 0.56 2.30 0.54 -2.00 0.00 0.00 174.74 176.30 2cqb n ARG 47 N 0.65 1.41 -3.14 -0.38 5.12 -1.26 -4.71 116.66 114.36 2cqb n ARG 47 Ca -0.09 -0.63 -0.14 0.00 -1.93 0.00 0.00 57.85 55.06 2cqb n ARG 47 Cb 0.52 -1.35 0.07 0.00 -1.16 0.00 0.00 32.46 30.54 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 1.36 -0.33 3.63 -0.13 0.00 -1.26 -4.80 105.19 103.66 2cqb n GLY 48 Ca 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.30 -0.20 0.01 1.61 -0.71 -1.26 -1.73 117.98 112.41 2cqb s PHE 49 Ca 0.07 0.00 -0.17 0.00 -1.04 0.00 0.00 56.93 55.80 2cqb s PHE 49 Cb -0.01 0.58 0.05 0.00 -1.21 0.00 0.00 43.02 42.44 2cqb s PHE 49 CO 0.60 -0.60 0.75 0.00 -1.34 0.00 0.00 175.22 174.64 2cqb n ALA 50 N -0.36 -2.10 -2.88 1.99 0.00 -0.57 -4.33 120.51 112.27 2cqb n ALA 50 Ca -0.07 -0.52 -0.20 0.00 0.00 0.00 0.00 53.44 52.65 2cqb n ALA 50 Cb 0.61 0.15 -0.15 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.68 0.98 -0.05 0.00 0.40 -0.44 -0.93 117.98 115.27 2cqb s PHE 51 Ca 0.18 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.33 2cqb s PHE 51 Cb -0.01 -0.67 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 2cqb s PHE 51 CO 0.00 -0.07 -0.20 0.08 0.70 0.00 0.00 175.22 175.73 2cqb s VAL 52 N 0.02 2.52 -0.18 -0.44 1.01 -0.29 -1.01 120.40 122.04 2cqb s VAL 52 Ca -0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 2cqb s VAL 52 Cb -0.07 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2cqb s VAL 52 CO 0.00 0.58 0.09 -0.70 0.00 0.00 0.00 175.10 175.07 2cqb s GLU 53 N -0.52 3.96 0.02 2.72 2.12 -0.16 -0.16 118.70 126.69 2cqb s GLU 53 Ca 0.07 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2cqb s GLU 53 Cb -0.11 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 2cqb s GLU 53 CO 0.01 0.35 0.05 -0.06 -0.54 0.00 0.00 175.26 175.07 2cqb s PHE 54 N 0.19 3.19 0.27 5.30 0.40 -1.19 -2.43 117.98 123.71 2cqb s PHE 54 Ca 0.06 0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 56.47 2cqb s PHE 54 Cb -0.12 -1.68 0.33 0.00 0.51 0.00 0.00 43.02 42.07 2cqb s PHE 54 CO -0.00 0.52 1.94 1.49 0.70 0.00 0.00 175.22 179.86 2cqb h GLU 55 N 3.93 1.22 -5.45 0.44 4.81 -1.93 -3.44 114.58 114.16 2cqb h GLU 55 Ca -0.48 -0.08 -0.49 0.00 -0.13 0.00 0.00 59.36 58.18 2cqb h GLU 55 Cb 1.17 -0.27 -0.14 0.00 0.63 0.00 0.00 28.75 30.15 2cqb h GLU 55 CO 0.62 0.82 -0.66 -0.51 -0.73 0.00 0.00 179.01 178.54 2cqb s LEU 56 N -10.01 2.44 -0.08 1.64 1.43 -1.26 -5.08 118.68 107.76 2cqb s LEU 56 Ca -0.12 -1.21 -0.23 0.00 -1.03 0.00 0.00 54.13 51.54 2cqb s LEU 56 Cb 0.18 -0.59 -0.18 0.00 0.03 0.00 0.00 46.19 45.62 2cqb s LEU 56 CO 0.81 -0.38 0.83 0.00 0.23 0.00 0.00 176.35 177.84 2cqb h ALA 57 N 2.27 -0.09 -0.63 4.21 0.00 -1.90 -3.19 119.26 119.93 2cqb h ALA 57 Ca -0.40 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 54.33 2cqb h ALA 57 Cb 1.23 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.94 2cqb h ALA 57 CO 0.68 -0.17 -0.29 1.05 0.00 0.00 0.00 179.25 180.51 2cqb h GLU 58 N -0.85 -0.11 -0.72 0.00 4.11 -1.98 0.15 114.58 115.19 2cqb h GLU 58 Ca -0.01 0.01 0.13 0.00 0.07 0.00 0.00 59.36 59.56 2cqb h GLU 58 Cb 0.62 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.81 2cqb h GLU 58 CO 0.01 -0.08 0.27 -0.44 0.07 0.00 0.00 179.01 178.85 2cqb h ASP 59 N -0.12 0.25 0.19 3.06 5.19 -1.97 -1.96 116.42 121.06 2cqb h ASP 59 Ca 0.26 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 2cqb h ASP 59 Cb 0.54 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 2cqb h ASP 59 CO -0.70 0.11 -0.17 0.00 -3.12 0.00 0.00 179.24 175.35 2cqb h ALA 60 N 1.52 -0.36 -0.66 3.45 0.00 -0.72 -1.46 119.26 121.02 2cqb h ALA 60 Ca 0.39 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.38 2cqb h ALA 60 Cb 0.56 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 2cqb h ALA 60 CO -0.38 -0.72 0.03 0.00 0.00 0.00 0.00 179.25 178.17 2cqb h ALA 61 N 0.39 0.69 -0.71 0.00 0.00 -0.55 0.21 119.26 119.29 2cqb h ALA 61 Ca -0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2cqb h ALA 61 Cb 0.36 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2cqb h ALA 61 CO -0.04 -0.39 0.39 0.00 0.00 0.00 0.00 179.25 179.21 2cqb h ALA 62 N 1.60 0.91 -0.97 0.00 0.00 -1.11 -2.33 119.26 117.37 2cqb h ALA 62 Ca 0.35 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.26 2cqb h ALA 62 Cb 0.59 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 2cqb h ALA 62 CO -0.55 0.43 0.62 0.00 0.00 0.00 0.00 179.25 179.74 2cqb h ALA 63 N 1.20 1.56 0.24 0.00 0.00 0.10 -1.95 119.26 120.41 2cqb h ALA 63 Ca 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2cqb h ALA 63 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2cqb h ALA 63 CO -0.04 0.22 -0.11 0.82 0.00 0.00 0.00 179.25 180.14 2cqb h ILE 64 N 0.97 0.80 -1.01 0.00 2.04 -0.91 0.28 117.51 119.68 2cqb h ILE 64 Ca 0.46 -0.77 0.29 0.00 1.00 0.00 0.00 64.86 65.85 2cqb h ILE 64 Cb 0.44 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2cqb h ILE 64 CO -0.22 0.15 0.72 -0.78 0.00 0.00 0.00 178.15 178.02 2cqb h ASP 65 N -0.74 0.03 0.00 1.72 1.82 -1.08 0.39 116.42 118.55 2cqb h ASP 65 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2cqb h ASP 65 Cb 0.50 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 2cqb h ASP 65 CO 0.05 0.01 0.00 0.59 -1.61 0.00 0.00 179.24 178.28 2cqb n ASN 66 N -4.26 0.00 -0.51 2.28 3.02 -0.76 -4.37 115.26 110.66 2cqb n ASN 66 Ca 0.21 0.13 0.42 0.00 -0.03 0.00 0.00 54.58 55.31 2cqb n ASN 66 Cb 1.06 -0.28 0.71 0.00 -0.61 0.00 0.00 39.78 40.65 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 0.04 -6.07 3.52 2.86 -0.42 -3.39 114.93 111.47 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 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 2cqb h MET 67 CO 0.00 0.03 1.09 -1.71 1.06 0.00 0.00 176.91 177.37 2cqb n ASN 68 N -4.48 1.97 -3.65 1.22 2.85 0.14 0.20 115.26 113.51 2cqb n ASN 68 Ca 0.39 0.85 -0.24 0.00 -0.11 0.00 0.00 54.58 55.47 2cqb n ASN 68 Cb 1.60 -1.11 0.07 0.00 1.24 0.00 0.00 39.78 41.57 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 6.34 -7.07 -2.75 1.20 1.02 -0.74 -4.93 120.64 113.71 2cqb n GLU 69 Ca 0.35 0.77 -0.20 0.00 -0.02 0.00 0.00 57.16 58.06 2cqb n GLU 69 Cb 0.11 -5.75 0.03 0.00 -0.02 0.00 0.00 31.44 25.81 2cqb n GLU 69 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2cqb s SER 70 N -3.53 5.39 -0.35 1.62 1.04 0.13 -4.86 113.70 113.14 2cqb s SER 70 Ca 0.49 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.69 2cqb s SER 70 Cb -0.22 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.06 2cqb s SER 70 CO 0.76 -1.03 0.22 -0.70 0.98 0.00 0.00 173.24 173.47 2cqb s GLU 71 N -4.65 3.22 -0.11 4.02 2.12 -1.26 -2.35 118.70 119.69 2cqb s GLU 71 Ca 0.56 -0.82 -0.00 0.00 0.36 0.00 0.00 54.97 55.07 2cqb s GLU 71 Cb -0.10 -3.76 0.02 0.00 0.26 0.00 0.00 34.13 30.55 2cqb s GLU 71 CO 0.37 -0.55 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.30 2cqb s LEU 72 N 1.65 1.21 -1.35 2.70 2.96 0.71 -4.79 118.68 121.78 2cqb s LEU 72 Ca 0.05 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 2cqb s LEU 72 Cb -0.18 -0.84 0.02 0.00 0.50 0.00 0.00 46.19 45.69 2cqb s LEU 72 CO 0.08 -0.11 1.10 0.49 -1.32 0.00 0.00 176.35 176.60 2cqb n PHE 73 N 4.86 -2.63 -2.95 5.38 3.01 -1.26 -1.90 117.46 121.97 2cqb n PHE 73 Ca -0.13 0.98 -0.20 0.00 1.01 0.00 0.00 57.45 59.11 2cqb n PHE 73 Cb 0.50 -4.89 0.03 0.00 -0.01 0.00 0.00 39.48 35.12 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 -1.78 -0.40 3.38 1.37 0.00 -1.26 -4.99 105.19 101.51 2cqb n GLY 74 Ca -0.06 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.59 1.21 -0.20 1.61 0.52 -0.80 -5.15 118.95 110.55 2cqb s ARG 75 Ca 0.28 -1.14 -0.08 0.00 -0.52 0.00 0.00 55.73 54.27 2cqb s ARG 75 Cb -0.12 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.71 2cqb s ARG 75 CO 0.34 -0.46 0.07 0.99 0.02 0.00 0.00 175.30 176.26 2cqb s THR 76 N -3.96 4.73 0.20 0.02 2.01 -1.26 -0.21 115.64 117.18 2cqb s THR 76 Ca 0.16 -0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.22 2cqb s THR 76 Cb 0.02 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2cqb s THR 76 CO 0.00 0.42 -0.16 0.27 -0.69 0.00 0.00 174.62 174.47 2cqb s ILE 77 N 0.68 2.78 -0.09 1.82 -4.36 -0.99 -4.67 121.20 116.37 2cqb s ILE 77 Ca 0.04 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.52 2cqb s ILE 77 Cb -0.13 -2.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 2cqb s ILE 77 CO 0.02 -0.17 -0.12 -0.13 0.24 0.00 0.00 174.94 174.78 2cqb s ARG 78 N -2.90 2.98 -0.03 0.37 1.81 -0.50 -1.80 118.95 118.88 2cqb s ARG 78 Ca 0.24 -0.66 0.07 0.00 -1.72 0.00 0.00 55.73 53.66 2cqb s ARG 78 Cb -0.08 -2.55 -0.01 0.00 -0.45 0.00 0.00 34.95 31.86 2cqb s ARG 78 CO 0.13 0.43 -0.23 0.08 -0.68 0.00 0.00 175.30 175.04 2cqb s VAL 79 N -0.22 1.80 0.22 3.52 1.01 -1.26 -0.63 120.40 124.84 2cqb s VAL 79 Ca 0.01 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 2cqb s VAL 79 Cb -0.13 -1.51 0.06 0.00 0.00 0.00 0.00 36.38 34.81 2cqb s VAL 79 CO 0.03 0.51 0.93 0.21 0.00 0.00 0.00 175.10 176.78 2cqb s ASN 80 N -0.40 -0.09 0.13 3.32 3.04 -0.83 -4.71 114.94 115.40 2cqb s ASN 80 Ca 0.05 -0.64 -0.31 0.00 0.04 0.00 0.00 52.86 52.00 2cqb s ASN 80 Cb -0.10 0.58 -0.09 0.00 -1.54 0.00 0.00 41.25 40.10 2cqb s ASN 80 CO 0.00 -1.11 1.48 -0.76 -3.04 0.00 0.00 177.10 173.67 2cqb s LEU 81 N -3.11 4.37 -0.23 3.21 1.43 -1.26 0.08 118.68 123.16 2cqb s LEU 81 Ca 0.16 2.46 -0.41 0.00 -1.03 0.00 0.00 54.13 55.30 2cqb s LEU 81 Cb -0.03 -3.59 -0.18 0.00 0.03 0.00 0.00 46.19 42.43 2cqb s LEU 81 CO 0.05 -0.74 1.53 0.00 0.23 0.00 0.00 176.35 177.42 2cqb n ALA 82 N 4.03 -1.18 -1.70 4.21 0.00 -1.18 -4.74 120.51 119.94 2cqb n ALA 82 Ca 0.13 0.47 -0.37 0.00 0.00 0.00 0.00 53.44 53.67 2cqb n ALA 82 Cb 0.41 -2.04 0.06 0.00 0.00 0.00 0.00 19.45 17.88 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 3.87 1.10 -2.12 0.00 2.85 -1.26 -4.68 118.16 117.92 2cqb n LYS 83 Ca 0.25 0.43 -0.43 0.00 -1.05 0.00 0.00 58.31 57.51 2cqb n LYS 83 Cb 0.08 -2.45 -0.03 0.00 -0.65 0.00 0.00 35.03 31.99 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 -3.19 3.78 0.63 -1.58 0.04 -1.26 -4.98 135.00 128.45 2cqb s PRO 84 Ca 0.80 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 63.30 2cqb s PRO 84 Cb -0.39 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.09 2cqb s PRO 84 CO 0.42 -1.31 1.25 0.00 0.04 0.00 0.00 177.00 177.41 2cqb n MET 85 N 7.67 1.14 -3.68 4.56 0.00 -1.26 -5.03 117.12 120.53 2cqb n MET 85 Ca 0.19 0.44 -0.17 0.00 0.00 0.00 0.00 57.70 58.16 2cqb n MET 85 Cb 0.45 -2.48 -0.16 0.00 0.00 0.00 0.00 33.22 31.03 2cqb n MET 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 2cqb s ARG 86 N -3.23 0.02 0.19 3.17 3.52 -1.26 -5.15 118.95 116.22 2cqb s ARG 86 Ca 0.81 0.51 -0.15 0.00 -0.13 0.00 0.00 55.73 56.77 2cqb s ARG 86 Cb -0.39 -0.30 -0.07 0.00 -1.56 0.00 0.00 34.95 32.63 2cqb s ARG 86 CO 0.42 -0.29 0.60 0.96 -0.81 0.00 0.00 175.30 176.18 2cqb s ILE 87 N 2.13 4.80 -0.18 4.11 -4.36 -1.26 -5.08 121.20 121.37 2cqb s ILE 87 Ca 0.02 0.87 -0.06 0.00 -0.26 0.00 0.00 60.65 61.22 2cqb s ILE 87 Cb -0.12 -3.73 -0.03 0.00 1.25 0.00 0.00 42.46 39.83 2cqb s ILE 87 CO -0.05 0.14 0.02 -0.54 0.24 0.00 0.00 174.94 174.75 2cqb s LYS 88 N -2.20 3.81 -0.10 0.37 -0.14 -1.26 -5.08 119.74 115.14 2cqb s LYS 88 Ca 0.42 -0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 54.29 2cqb s LYS 88 Cb -0.14 -3.10 0.12 0.00 -1.68 0.00 0.00 37.83 33.03 2cqb s LYS 88 CO 0.20 0.20 0.98 -1.83 -0.76 0.00 0.00 175.35 174.14 2cqb s GLU 89 N 0.52 0.65 -0.15 1.68 4.04 -1.26 -5.07 118.70 119.11 2cqb s GLU 89 Ca 0.00 -0.07 -0.21 0.00 0.04 0.00 0.00 54.97 54.74 2cqb s GLU 89 Cb -0.13 0.30 -0.24 0.00 0.02 0.00 0.00 34.13 34.08 2cqb s GLU 89 CO 0.02 -0.25 0.47 0.66 -1.84 0.00 0.00 175.26 174.32 2cqb h SER 90 N 2.27 0.15 -6.29 0.83 4.64 -2.07 -3.49 113.55 109.59 2cqb h SER 90 Ca -0.19 -0.76 -0.39 0.00 -0.47 0.00 0.00 61.79 59.98 2cqb h SER 90 Cb 1.20 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2cqb h SER 90 CO 0.30 1.44 -1.08 0.61 -0.87 0.00 0.00 176.83 177.23 2cqb n GLY 91 N 1.60 -0.28 3.61 -0.77 0.00 -1.26 -4.77 105.19 103.32 2cqb n GLY 91 Ca -0.24 0.89 -0.43 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.04 3.49 -0.28 1.61 0.04 -1.26 -4.95 135.00 130.61 2cqb s PRO 92 Ca 0.23 1.39 -0.19 0.00 0.04 0.00 0.00 61.00 62.47 2cqb s PRO 92 Cb -0.02 -4.12 0.10 0.00 0.04 0.00 0.00 34.50 30.49 2cqb s PRO 92 CO 0.80 -1.66 0.82 -1.54 0.04 0.00 0.00 177.00 175.45 2cqb s SER 93 N 5.22 -0.72 -0.31 6.66 1.04 -1.26 -5.13 113.70 119.19 2cqb s SER 93 Ca 0.74 1.23 -0.01 0.00 0.48 0.00 0.00 55.95 58.39 2cqb s SER 93 Cb -0.21 1.28 0.10 0.00 0.10 0.00 0.00 66.02 67.29 2cqb s SER 93 CO 0.33 -0.20 0.12 -0.44 0.98 0.00 0.00 173.24 174.02 2cqb s SER 94 N 1.09 3.87 0.00 7.02 0.01 -1.26 -5.28 113.70 119.14 2cqb s SER 94 Ca -0.06 -1.63 0.00 0.00 1.31 0.00 0.00 55.95 55.58 2cqb s SER 94 Cb -0.05 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2cqb s SER 94 CO -0.12 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.73