#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 5.07 -0.26 1.61 1.04 -1.26 -5.01 113.70 114.89 2cqb s SER -5 Ca 0.00 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 2cqb s SER -5 Cb 0.00 -1.08 0.12 0.00 0.10 0.00 0.00 66.02 65.16 2cqb s SER -5 CO 0.00 -0.10 2.23 -0.24 0.98 0.00 0.00 173.24 176.11 2cqb n SER -4 N -1.11 6.20 -3.28 7.02 2.88 -1.26 -4.77 113.62 119.30 2cqb n SER -4 Ca -0.06 -2.94 -0.31 0.00 -1.33 0.00 0.00 58.87 54.23 2cqb n SER -4 Cb 0.59 -1.12 -0.02 0.00 -0.75 0.00 0.00 64.21 62.91 2cqb n SER -4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqb n GLY -3 N 0.76 3.64 3.47 0.46 0.00 -1.26 -4.86 105.19 107.40 2cqb n GLY -3 Ca 0.28 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 2cqb n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqb s SER -2 N 2.95 4.73 -0.16 1.61 0.15 -1.26 -5.10 113.70 116.63 2cqb s SER -2 Ca 0.54 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 57.03 2cqb s SER -2 Cb 0.14 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2cqb s SER -2 CO -0.04 0.14 -0.17 -0.94 1.20 0.00 0.00 173.24 173.43 2cqb s SER -1 N 0.52 3.46 0.44 5.45 1.04 -1.26 -5.12 113.70 118.23 2cqb s SER -1 Ca -0.03 -0.53 -0.21 0.00 0.48 0.00 0.00 55.95 55.65 2cqb s SER -1 Cb -0.14 -1.52 -0.10 0.00 0.10 0.00 0.00 66.02 64.35 2cqb s SER -1 CO 0.03 0.07 0.99 -0.83 0.98 0.00 0.00 173.24 174.48 2cqb s GLY 0 N 0.90 2.50 0.13 7.32 0.00 -1.26 -4.97 107.32 111.95 2cqb s GLY 0 Ca -0.04 0.52 -0.19 0.00 0.00 0.00 0.00 44.72 45.01 2cqb s GLY 0 CO -0.02 0.84 1.72 1.98 0.00 0.00 0.00 173.10 177.61 2cqb h MET 1 N 1.96 0.07 -6.41 2.90 1.85 -2.05 -3.36 114.93 109.89 2cqb h MET 1 Ca -0.49 -0.00 -0.54 0.00 -0.61 0.00 0.00 59.70 58.05 2cqb h MET 1 Cb 1.20 -0.02 -0.08 0.00 0.43 0.00 0.00 31.60 33.13 2cqb h MET 1 CO 0.61 0.05 1.04 0.00 -0.40 0.00 0.00 176.91 178.21 2cqb s ALA 2 N -6.19 2.80 -0.36 0.39 0.00 -1.26 -4.98 121.76 112.16 2cqb s ALA 2 Ca -0.13 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.49 2cqb s ALA 2 Cb 0.11 -4.21 0.03 0.00 0.00 0.00 0.00 23.12 19.04 2cqb s ALA 2 CO 0.69 -3.16 0.18 0.99 0.00 0.00 0.00 175.76 174.46 2cqb s THR 3 N 5.59 4.37 -0.00 0.00 2.01 -1.26 -4.94 115.64 121.41 2cqb s THR 3 Ca 0.37 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 2cqb s THR 3 Cb -0.08 -3.44 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 2cqb s THR 3 CO 0.17 -0.21 -0.01 0.41 -0.69 0.00 0.00 174.62 174.29 2cqb n THR 4 N 4.95 0.11 -3.63 -0.82 -1.04 -1.26 -4.97 114.28 107.62 2cqb n THR 4 Ca -0.12 0.19 -0.24 0.00 -2.04 0.00 0.00 64.05 61.84 2cqb n THR 4 Cb 0.46 -1.24 -0.04 0.00 -1.82 0.00 0.00 70.33 67.69 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 -2.61 -1.83 -0.07 -2.82 5.02 -1.26 -4.73 118.16 109.87 2cqb n LYS 5 Ca -0.00 0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 2cqb n LYS 5 Cb 0.02 -4.66 -0.05 0.00 -0.02 0.00 0.00 35.03 30.31 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 -3.39 0.30 -2.77 1.97 1.74 -1.26 -4.58 116.66 108.67 2cqb n ARG 6 Ca 0.06 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 2cqb n ARG 6 Cb 0.48 -1.12 -0.03 0.00 -1.02 0.00 0.00 32.46 30.76 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 4.47 0.17 1.55 1.01 -1.26 -2.02 120.40 122.07 2cqb s VAL 7 Ca -0.18 1.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.71 2cqb s VAL 7 Cb 0.06 -4.43 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 2cqb s VAL 7 CO 0.27 -0.74 0.56 -0.76 0.00 0.00 0.00 175.10 174.43 2cqb s LEU 8 N 3.78 4.30 -0.19 3.92 1.43 0.90 -2.46 118.68 130.36 2cqb s LEU 8 Ca 0.40 1.08 -0.08 0.00 -1.03 0.00 0.00 54.13 54.50 2cqb s LEU 8 Cb -0.10 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 2cqb s LEU 8 CO 0.24 0.06 0.07 -0.47 0.23 0.00 0.00 176.35 176.49 2cqb s TYR 9 N -1.54 3.26 -0.05 0.29 6.14 0.48 -1.82 117.35 124.11 2cqb s TYR 9 Ca 0.40 0.08 0.06 0.00 0.64 0.00 0.00 57.07 58.25 2cqb s TYR 9 Cb -0.14 -2.11 -0.02 0.00 0.42 0.00 0.00 41.96 40.11 2cqb s TYR 9 CO 0.19 0.13 -0.23 0.08 0.64 0.00 0.00 175.55 176.36 2cqb s VAL 10 N 0.48 2.24 0.29 3.14 1.01 -0.86 -1.61 120.40 125.08 2cqb s VAL 10 Ca 0.04 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2cqb s VAL 10 Cb -0.12 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2cqb s VAL 10 CO 0.00 0.57 0.14 -0.83 0.00 0.00 0.00 175.10 174.99 2cqb s GLY 11 N -0.35 1.96 -1.24 4.51 0.00 0.69 -1.67 107.32 111.22 2cqb s GLY 11 Ca 0.02 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2cqb s GLY 11 CO 0.02 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.15 2cqb n GLY 12 N -0.54 1.16 3.47 0.20 0.00 -0.22 -1.53 105.19 107.73 2cqb n GLY 12 Ca 0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.77 -0.07 0.00 0.99 1.43 -0.99 -4.50 118.68 112.77 2cqb s LEU 13 Ca 0.00 0.71 0.05 0.00 -1.03 0.00 0.00 54.13 53.86 2cqb s LEU 13 Cb 0.00 -2.30 0.05 0.00 0.03 0.00 0.00 46.19 43.97 2cqb s LEU 13 CO 0.00 -4.68 0.44 0.00 0.23 0.00 0.00 176.35 172.35 2cqb n ALA 14 N -5.15 0.69 0.17 4.21 0.00 -1.26 -4.79 120.51 114.38 2cqb n ALA 14 Ca 0.13 -1.17 0.12 0.00 0.00 0.00 0.00 53.44 52.52 2cqb n ALA 14 Cb 0.60 0.32 0.06 0.00 0.00 0.00 0.00 19.45 20.43 2cqb n ALA 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2cqb h GLU 15 N 0.00 0.00 -0.60 0.00 4.11 -1.96 -3.30 114.58 112.83 2cqb h GLU 15 Ca -0.15 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.06 2cqb h GLU 15 Cb 0.70 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.81 2cqb h GLU 15 CO 0.22 0.00 0.20 0.39 0.07 0.00 0.00 179.01 179.89 2cqb n GLU 16 N -2.76 2.82 -4.40 1.06 -0.58 -1.26 -4.93 120.64 110.59 2cqb n GLU 16 Ca 0.01 -3.06 -0.34 0.00 -0.42 0.00 0.00 57.16 53.36 2cqb n GLU 16 Cb 0.54 -2.04 -0.14 0.00 -0.57 0.00 0.00 31.44 29.23 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 -3.09 3.11 0.19 2.62 1.01 -1.25 -4.91 120.40 118.08 2cqb s VAL 17 Ca 0.50 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2cqb s VAL 17 Cb 0.42 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2cqb s VAL 17 CO 0.09 0.49 0.12 0.47 0.00 0.00 0.00 175.10 176.27 2cqb n ASP 18 N 4.06 0.15 0.13 3.32 8.00 -1.26 -4.86 116.55 126.09 2cqb n ASP 18 Ca -0.18 -2.16 0.19 0.00 0.71 0.00 0.00 54.79 53.35 2cqb n ASP 18 Cb 0.52 0.77 0.77 0.00 -0.02 0.00 0.00 41.12 43.15 2cqb n ASP 18 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2cqb h ASP 19 N 1.00 0.00 0.02 -2.24 2.03 -1.97 0.06 116.42 115.33 2cqb h ASP 19 Ca -0.14 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.16 2cqb h ASP 19 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 2cqb h ASP 19 CO 0.21 0.00 -0.01 0.11 -1.03 0.00 0.00 179.24 178.52 2cqb h LYS 20 N 0.00 -0.03 -0.68 4.15 6.56 -1.98 -0.44 116.57 124.15 2cqb h LYS 20 Ca 0.16 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2cqb h LYS 20 Cb 0.93 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.56 2cqb h LYS 20 CO -0.00 0.71 0.39 0.28 -2.06 0.00 0.00 179.45 178.77 2cqb h VAL 21 N -0.87 1.21 -0.16 0.50 2.07 -1.63 -2.39 116.25 114.98 2cqb h VAL 21 Ca -0.00 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 2cqb h VAL 21 Cb 0.75 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2cqb h VAL 21 CO 0.00 0.22 -0.42 -0.07 0.02 0.00 0.00 177.57 177.33 2cqb h LEU 22 N 0.93 0.64 -0.49 2.57 3.38 -1.15 -2.47 115.31 118.72 2cqb h LEU 22 Ca 0.24 -0.58 0.10 0.00 0.09 0.00 0.00 57.88 57.73 2cqb h LEU 22 Cb 0.01 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.48 2cqb h LEU 22 CO -0.04 1.11 -0.12 -0.74 0.09 0.00 0.00 178.44 178.73 2cqb h HIS 23 N 0.20 -0.27 0.00 1.13 2.76 -0.89 0.44 115.15 118.52 2cqb h HIS 23 Ca -0.01 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2cqb h HIS 23 Cb 1.03 0.19 -0.00 0.00 1.55 0.00 0.00 27.41 30.18 2cqb h HIS 23 CO 0.10 -0.21 -0.01 0.00 -1.30 0.00 0.00 177.93 176.51 2cqb h ALA 24 N 1.48 1.00 0.00 5.26 0.00 -1.48 0.25 119.26 125.77 2cqb h ALA 24 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2cqb h ALA 24 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2cqb h ALA 24 CO -0.50 0.01 -0.46 0.00 0.00 0.00 0.00 179.25 178.30 2cqb h ALA 25 N 1.99 0.70 -0.00 0.00 0.00 -0.03 -3.32 119.26 118.60 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 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 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 -2.21 0.00 0.15 0.00 3.01 0.12 -4.66 117.46 113.86 2cqb n PHE 26 Ca 0.04 -0.01 0.06 0.00 1.01 0.00 0.00 57.45 58.55 2cqb n PHE 26 Cb 0.45 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.46 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 0.04 1.04 0.97 4.37 6.09 -0.60 -3.07 117.51 126.35 2cqb h ILE 27 Ca 0.00 -0.08 -0.05 0.00 -1.37 0.00 0.00 64.86 63.36 2cqb h ILE 27 Cb 0.02 0.79 0.01 0.00 0.47 0.00 0.00 36.82 38.10 2cqb h ILE 27 CO 0.00 0.04 -0.47 -0.65 -3.07 0.00 0.00 178.15 174.00 2cqb h PRO 28 N 0.23 -1.27 -0.20 2.19 0.11 -1.83 -3.28 132.00 127.96 2cqb h PRO 28 Ca 0.07 0.09 0.02 0.00 0.11 0.00 0.00 66.00 66.28 2cqb h PRO 28 Cb -0.02 0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 2cqb h PRO 28 CO -0.01 -0.84 -0.12 1.19 -0.21 0.00 0.00 178.00 178.01 2cqb n PHE 29 N -5.55 -0.09 -0.33 0.65 3.72 -1.16 -4.86 117.46 109.85 2cqb n PHE 29 Ca -0.16 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2cqb n PHE 29 Cb 0.52 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2cqb n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cqb n GLY 30 N -1.05 4.94 3.06 1.37 0.00 -1.24 -5.01 105.19 107.25 2cqb n GLY 30 Ca 0.00 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 1.36 4.97 -0.31 1.61 1.01 -1.26 -4.64 116.67 119.41 2cqb s ASP 31 Ca 0.00 -2.78 -0.36 0.00 0.71 0.00 0.00 52.55 50.11 2cqb s ASP 31 Cb 0.00 -1.78 -0.12 0.00 1.01 0.00 0.00 42.92 42.02 2cqb s ASP 31 CO 0.00 -0.35 2.07 -0.38 0.21 0.00 0.00 175.17 176.72 2cqb n ILE 32 N 3.53 0.25 -0.03 0.77 5.41 -1.26 -3.47 119.36 124.56 2cqb n ILE 32 Ca 0.06 -0.19 -0.15 0.00 1.00 0.00 0.00 62.75 63.47 2cqb n ILE 32 Cb 0.37 -1.55 -0.09 0.00 -0.71 0.00 0.00 39.64 37.65 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 6.55 1.42 -2.32 1.39 1.35 -1.79 -3.48 112.91 116.04 2cqb h THR 33 Ca -0.33 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 2cqb h THR 33 Cb 1.32 2.31 -0.17 0.00 -1.73 0.00 0.00 68.15 69.88 2cqb h THR 33 CO 1.00 0.49 0.30 -1.81 -0.25 0.00 0.00 175.52 175.24 2cqb s ASP 34 N -6.35 -0.54 0.04 5.36 1.01 -1.26 -5.06 116.67 109.87 2cqb s ASP 34 Ca -0.14 0.31 0.04 0.00 0.71 0.00 0.00 52.55 53.47 2cqb s ASP 34 Cb 0.04 0.50 -0.02 0.00 1.01 0.00 0.00 42.92 44.45 2cqb s ASP 34 CO 0.77 -0.70 -0.12 -0.63 0.21 0.00 0.00 175.17 174.70 2cqb s ILE 35 N -2.36 0.94 -0.08 0.77 1.01 -1.26 -1.75 121.20 118.46 2cqb s ILE 35 Ca -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.72 2cqb s ILE 35 Cb -0.01 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.60 2cqb s ILE 35 CO -0.02 -0.05 -0.18 -1.10 0.00 0.00 0.00 174.94 173.59 2cqb s GLN 36 N -1.11 2.34 -0.19 2.79 1.11 -0.51 -5.02 119.66 119.06 2cqb s GLN 36 Ca -0.00 -0.63 0.01 0.00 0.01 0.00 0.00 55.36 54.74 2cqb s GLN 36 Cb -0.08 -1.83 0.04 0.00 -1.01 0.00 0.00 33.01 30.13 2cqb s GLN 36 CO 0.01 0.10 -0.13 0.42 0.01 0.00 0.00 175.29 175.70 2cqb s ILE 37 N 0.51 1.76 -0.43 1.08 -1.09 -1.26 -1.94 121.20 119.83 2cqb s ILE 37 Ca -0.17 -0.97 -0.28 0.00 -2.23 0.00 0.00 60.65 57.00 2cqb s ILE 37 Cb -0.17 -1.75 -0.01 0.00 -1.58 0.00 0.00 42.46 38.95 2cqb s ILE 37 CO 0.06 0.29 1.75 -2.16 -1.23 0.00 0.00 174.94 173.65 2cqb s PRO 38 N 1.37 3.17 0.13 2.79 0.04 -1.26 -4.97 135.00 136.25 2cqb s PRO 38 Ca 0.01 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.19 2cqb s PRO 38 Cb -0.15 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 2cqb s PRO 38 CO -0.09 -2.07 -0.09 -0.51 0.04 0.00 0.00 177.00 174.28 2cqb s LEU 39 N 7.30 2.51 0.69 -3.56 1.43 -1.26 -4.35 118.68 121.44 2cqb s LEU 39 Ca 0.73 -0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2cqb s LEU 39 Cb -0.18 -0.27 0.04 0.00 0.03 0.00 0.00 46.19 45.81 2cqb s LEU 39 CO 0.30 -0.36 1.04 -0.62 0.23 0.00 0.00 176.35 176.94 2cqb s ASP 40 N -3.05 5.17 0.00 2.29 2.15 -1.24 -4.85 116.67 117.14 2cqb s ASP 40 Ca 0.14 0.81 0.25 0.00 0.43 0.00 0.00 52.55 54.18 2cqb s ASP 40 Cb 0.03 -1.57 0.50 0.00 -0.30 0.00 0.00 42.92 41.57 2cqb s ASP 40 CO -0.01 -1.43 1.40 0.00 -0.17 0.00 0.00 175.17 174.96 2cqb n TYR 41 N -2.94 0.00 -0.10 -5.34 4.11 -1.26 -2.06 117.16 109.58 2cqb n TYR 41 Ca 0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.78 2cqb n TYR 41 Cb 0.59 -0.12 -0.07 0.00 -0.00 0.00 0.00 39.34 39.73 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 -0.79 0.43 -0.11 -3.48 -0.58 -1.26 -4.80 120.64 110.05 2cqb n GLU 42 Ca 0.10 0.16 -0.14 0.00 -0.42 0.00 0.00 57.16 56.85 2cqb n GLU 42 Cb 0.36 -1.25 -0.11 0.00 -0.57 0.00 0.00 31.44 29.87 2cqb n GLU 42 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2cqb n THR 43 N -3.62 1.28 -1.74 2.62 -2.24 -1.26 -5.01 114.28 104.31 2cqb n THR 43 Ca -0.37 -0.54 -0.09 0.00 -2.27 0.00 0.00 64.05 60.78 2cqb n THR 43 Cb 0.80 -1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.07 -0.66 -3.83 -0.78 1.02 -0.87 -4.90 120.64 107.55 2cqb n GLU 44 Ca -0.38 0.60 -0.25 0.00 -0.02 0.00 0.00 57.16 57.12 2cqb n GLU 44 Cb 0.95 -4.54 -0.03 0.00 -0.02 0.00 0.00 31.44 27.81 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 -3.65 3.47 0.38 3.49 1.02 -1.26 -4.58 119.74 118.60 2cqb s LYS 45 Ca 0.00 -0.55 0.08 0.00 0.02 0.00 0.00 55.97 55.52 2cqb s LYS 45 Cb 0.00 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 2cqb s LYS 45 CO 0.00 0.43 0.23 -3.38 -0.92 0.00 0.00 175.35 171.71 2cqb s HIS 46 N -1.89 2.71 -0.17 3.18 -3.43 -1.26 -3.70 115.29 110.72 2cqb s HIS 46 Ca 0.36 -0.45 -0.10 0.00 -0.80 0.00 0.00 55.06 54.07 2cqb s HIS 46 Cb -0.10 -1.88 -0.22 0.00 -1.43 0.00 0.00 32.58 28.95 2cqb s HIS 46 CO 0.29 0.16 0.21 -2.13 -2.00 0.00 0.00 174.74 171.27 2cqb n ARG 47 N -1.31 0.68 0.00 -0.38 3.00 -1.26 -4.98 116.66 112.41 2cqb n ARG 47 Ca -0.01 0.33 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 2cqb n ARG 47 Cb 0.62 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.40 2cqb n ARG 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2cqb n GLY 48 N 1.82 -0.13 3.59 5.14 0.00 -1.26 -4.90 105.19 109.45 2cqb n GLY 48 Ca -0.35 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 0.32 1.61 -0.12 -1.26 -1.06 117.98 117.26 2cqb s PHE 49 Ca 0.00 0.08 -0.13 0.00 -0.05 0.00 0.00 56.93 56.83 2cqb s PHE 49 Cb 0.00 0.55 0.05 0.00 -0.63 0.00 0.00 43.02 42.99 2cqb s PHE 49 CO 0.00 -0.45 0.68 0.00 -0.05 0.00 0.00 175.22 175.40 2cqb n ALA 50 N -0.26 -1.56 -3.81 1.99 0.00 -0.67 -4.61 120.51 111.58 2cqb n ALA 50 Ca -0.05 -1.05 -0.25 0.00 0.00 0.00 0.00 53.44 52.09 2cqb n ALA 50 Cb 0.61 0.82 -0.17 0.00 0.00 0.00 0.00 19.45 20.70 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 -3.21 1.11 -0.15 0.00 0.08 -0.82 -2.03 117.98 112.96 2cqb s PHE 51 Ca 0.14 -0.47 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 2cqb s PHE 51 Cb -0.04 -1.02 -0.01 0.00 -0.57 0.00 0.00 43.02 41.38 2cqb s PHE 51 CO 0.10 -0.41 -0.10 0.08 -0.10 0.00 0.00 175.22 174.78 2cqb s VAL 52 N 1.71 3.20 -0.17 -0.44 1.01 -0.75 -1.42 120.40 123.53 2cqb s VAL 52 Ca 0.03 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 2cqb s VAL 52 Cb -0.13 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2cqb s VAL 52 CO -0.06 0.50 0.23 -0.70 0.00 0.00 0.00 175.10 175.08 2cqb s GLU 53 N 0.55 4.19 -0.12 2.72 2.12 -0.72 -0.07 118.70 127.38 2cqb s GLU 53 Ca -0.07 -0.01 -0.06 0.00 0.36 0.00 0.00 54.97 55.18 2cqb s GLU 53 Cb -0.15 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 2cqb s GLU 53 CO 0.03 0.29 0.12 -0.06 -0.54 0.00 0.00 175.26 175.11 2cqb s PHE 54 N 0.34 3.53 0.46 5.30 0.40 -0.86 -2.30 117.98 124.85 2cqb s PHE 54 Ca 0.14 0.48 0.19 0.00 -0.60 0.00 0.00 56.93 57.13 2cqb s PHE 54 Cb -0.12 -1.92 1.15 0.00 0.51 0.00 0.00 43.02 42.64 2cqb s PHE 54 CO 0.02 0.70 1.94 1.49 0.70 0.00 0.00 175.22 180.06 2cqb h GLU 55 N 5.03 0.29 -5.18 0.44 4.57 -1.91 -3.42 114.58 114.39 2cqb h GLU 55 Ca -0.54 -0.02 -0.37 0.00 -1.18 0.00 0.00 59.36 57.25 2cqb h GLU 55 Cb 1.22 -0.06 -0.18 0.00 -0.16 0.00 0.00 28.75 29.57 2cqb h GLU 55 CO 0.58 0.19 -0.74 -0.51 -1.18 0.00 0.00 179.01 177.34 2cqb s LEU 56 N -9.18 2.41 -0.01 1.64 1.43 -1.26 -5.07 118.68 108.64 2cqb s LEU 56 Ca -0.07 -0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 51.96 2cqb s LEU 56 Cb 0.21 -0.42 -0.19 0.00 0.03 0.00 0.00 46.19 45.81 2cqb s LEU 56 CO 0.76 -0.21 1.29 0.00 0.23 0.00 0.00 176.35 178.43 2cqb h ALA 57 N 3.53 -0.05 -0.55 4.21 0.00 -1.82 -3.08 119.26 121.51 2cqb h ALA 57 Ca -0.38 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.40 2cqb h ALA 57 Cb 1.19 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2cqb h ALA 57 CO 0.52 -0.31 -0.42 1.05 0.00 0.00 0.00 179.25 180.09 2cqb h GLU 58 N -0.48 -0.23 -0.82 0.00 4.11 -1.97 0.15 114.58 115.35 2cqb h GLU 58 Ca -0.00 0.02 0.16 0.00 0.07 0.00 0.00 59.36 59.60 2cqb h GLU 58 Cb 0.44 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 2cqb h GLU 58 CO 0.01 -0.15 0.36 -0.44 0.07 0.00 0.00 179.01 178.86 2cqb h ASP 59 N -0.23 0.35 0.06 3.06 5.19 -1.96 -1.40 116.42 121.50 2cqb h ASP 59 Ca 0.18 0.12 0.01 0.00 -0.62 0.00 0.00 57.03 56.72 2cqb h ASP 59 Cb 0.56 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 2cqb h ASP 59 CO -0.67 0.11 -0.13 0.00 -3.12 0.00 0.00 179.24 175.43 2cqb h ALA 60 N 1.59 -0.20 -0.63 3.45 0.00 -0.65 -1.49 119.26 121.33 2cqb h ALA 60 Ca 0.46 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.47 2cqb h ALA 60 Cb 0.74 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2cqb h ALA 60 CO -0.43 -0.64 0.20 0.00 0.00 0.00 0.00 179.25 178.38 2cqb h ALA 61 N 0.64 0.81 -0.74 0.00 0.00 -0.21 -1.03 119.26 118.73 2cqb h ALA 61 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2cqb h ALA 61 Cb 0.28 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2cqb h ALA 61 CO -0.09 -0.24 0.48 0.00 0.00 0.00 0.00 179.25 179.40 2cqb h ALA 62 N 1.47 0.94 -0.74 0.00 0.00 -1.01 -2.00 119.26 117.93 2cqb h ALA 62 Ca 0.33 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2cqb h ALA 62 Cb 0.47 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2cqb h ALA 62 CO -0.37 0.38 0.46 0.00 0.00 0.00 0.00 179.25 179.73 2cqb h ALA 63 N 1.26 0.97 0.48 0.00 0.00 -0.16 -2.37 119.26 119.43 2cqb h ALA 63 Ca 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2cqb h ALA 63 Cb -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2cqb h ALA 63 CO -0.06 0.25 -0.23 0.82 0.00 0.00 0.00 179.25 180.04 2cqb h ILE 64 N 0.90 0.50 -1.00 0.00 2.04 -0.93 0.83 117.51 119.86 2cqb h ILE 64 Ca 0.30 -0.26 0.29 0.00 1.00 0.00 0.00 64.86 66.19 2cqb h ILE 64 Cb 0.02 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2cqb h ILE 64 CO -0.11 0.04 0.75 0.44 0.00 0.00 0.00 178.15 179.27 2cqb h ASP 65 N -0.80 0.00 0.00 1.72 5.19 -1.23 0.18 116.42 121.47 2cqb h ASP 65 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2cqb h ASP 65 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 2cqb h ASP 65 CO 0.11 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.82 2cqb n ASN 66 N -4.13 0.00 -0.32 6.45 3.02 -0.91 -4.46 115.26 114.91 2cqb n ASN 66 Ca 0.21 0.08 0.31 0.00 -0.03 0.00 0.00 54.58 55.15 2cqb n ASN 66 Cb 1.10 -0.28 0.55 0.00 -0.61 0.00 0.00 39.78 40.54 2cqb n ASN 66 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2cqb n MET 67 N -1.84 -0.05 -1.56 3.52 2.81 0.29 -4.39 117.12 115.90 2cqb n MET 67 Ca 0.00 1.21 -0.59 0.00 -1.81 0.00 0.00 57.70 56.51 2cqb n MET 67 Cb 0.00 -2.22 -0.09 0.00 -0.71 0.00 0.00 33.22 30.20 2cqb n MET 67 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2cqb n ASN 68 N -4.89 1.70 -3.28 7.83 2.85 0.61 0.43 115.26 120.50 2cqb n ASN 68 Ca 0.35 0.88 -0.20 0.00 -0.11 0.00 0.00 54.58 55.50 2cqb n ASN 68 Cb 1.22 -1.05 0.08 0.00 1.24 0.00 0.00 39.78 41.27 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 6.11 -6.90 -2.80 1.20 1.02 -1.00 -4.93 120.64 113.34 2cqb n GLU 69 Ca 0.37 0.76 -0.20 0.00 -0.02 0.00 0.00 57.16 58.07 2cqb n GLU 69 Cb 0.07 -5.57 0.04 0.00 -0.02 0.00 0.00 31.44 25.96 2cqb n GLU 69 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2cqb s SER 70 N -3.56 5.28 -0.18 1.62 0.01 0.17 -4.88 113.70 112.15 2cqb s SER 70 Ca 0.38 -0.29 -0.06 0.00 1.31 0.00 0.00 55.95 57.30 2cqb s SER 70 Cb -0.17 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 2cqb s SER 70 CO 0.66 -1.12 0.02 -0.70 0.41 0.00 0.00 173.24 172.51 2cqb s GLU 71 N -4.66 3.80 -0.11 12.44 2.12 -1.26 -1.85 118.70 129.19 2cqb s GLU 71 Ca 0.58 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 55.35 2cqb s GLU 71 Cb -0.09 -3.11 0.03 0.00 0.26 0.00 0.00 34.13 31.22 2cqb s GLU 71 CO 0.37 0.19 0.33 -1.17 -0.54 0.00 0.00 175.26 174.45 2cqb s LEU 72 N 0.55 0.73 -0.67 2.70 2.96 0.41 -4.87 118.68 120.49 2cqb s LEU 72 Ca 0.01 0.58 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 2cqb s LEU 72 Cb -0.13 1.18 0.00 0.00 0.50 0.00 0.00 46.19 47.74 2cqb s LEU 72 CO 0.02 -0.17 0.00 0.49 -1.32 0.00 0.00 176.35 175.36 2cqb n PHE 73 N 2.62 -1.28 -2.27 5.38 3.01 -1.26 0.11 117.46 123.76 2cqb n PHE 73 Ca -0.14 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.26 2cqb n PHE 73 Cb 0.57 -1.97 0.00 0.00 -0.01 0.00 0.00 39.48 38.08 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 -0.47 0.27 3.22 1.37 0.00 -1.26 -5.04 105.19 103.27 2cqb n GLY 74 Ca -0.08 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.54 0.88 -0.41 1.61 1.70 0.30 -5.13 118.95 113.35 2cqb s ARG 75 Ca 0.04 -0.96 -0.19 0.00 -0.47 0.00 0.00 55.73 54.15 2cqb s ARG 75 Cb -0.02 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.73 2cqb s ARG 75 CO 0.05 -0.29 0.55 0.99 -1.08 0.00 0.00 175.30 175.52 2cqb s THR 76 N -3.86 4.95 0.17 4.99 2.01 -1.26 -0.45 115.64 122.20 2cqb s THR 76 Ca 0.05 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 2cqb s THR 76 Cb 0.05 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2cqb s THR 76 CO -0.10 -0.45 0.39 0.27 -0.69 0.00 0.00 174.62 174.04 2cqb s ILE 77 N 2.51 5.18 -0.07 1.82 -4.36 -0.77 -4.75 121.20 120.76 2cqb s ILE 77 Ca 0.18 -0.13 0.03 0.00 -0.26 0.00 0.00 60.65 60.48 2cqb s ILE 77 Cb -0.15 -3.67 -0.02 0.00 1.25 0.00 0.00 42.46 39.86 2cqb s ILE 77 CO 0.16 -0.07 -0.14 -0.13 0.24 0.00 0.00 174.94 175.00 2cqb s ARG 78 N -2.97 2.69 0.07 0.37 0.52 -0.58 -2.38 118.95 116.66 2cqb s ARG 78 Ca 0.40 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.99 2cqb s ARG 78 Cb -0.12 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 2cqb s ARG 78 CO 0.27 0.54 -0.19 0.08 0.02 0.00 0.00 175.30 176.02 2cqb s VAL 79 N -0.51 1.54 -0.15 3.52 1.01 -1.26 -0.23 120.40 124.32 2cqb s VAL 79 Ca 0.07 -1.32 -0.33 0.00 0.00 0.00 0.00 61.98 60.40 2cqb s VAL 79 Cb -0.12 -1.38 0.13 0.00 0.00 0.00 0.00 36.38 35.01 2cqb s VAL 79 CO 0.02 0.02 1.12 0.21 0.00 0.00 0.00 175.10 176.47 2cqb s ASN 80 N -1.52 -0.21 0.31 3.32 2.47 -0.63 -4.70 114.94 113.98 2cqb s ASN 80 Ca 0.05 0.03 -0.29 0.00 0.42 0.00 0.00 52.86 53.07 2cqb s ASN 80 Cb -0.09 0.21 -0.13 0.00 -1.45 0.00 0.00 41.25 39.79 2cqb s ASN 80 CO 0.03 -0.33 1.31 0.18 -3.72 0.00 0.00 177.10 174.57 2cqb n LEU 81 N -0.04 3.36 -4.55 3.21 4.77 -1.26 -0.39 117.00 122.11 2cqb n LEU 81 Ca -0.03 1.19 -0.46 0.00 -0.03 0.00 0.00 56.01 56.68 2cqb n LEU 81 Cb 0.59 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 2cqb n LEU 81 CO 0.10 -0.53 0.46 0.00 -1.33 0.00 0.00 177.39 176.10 2cqb n ALA 82 N 0.75 -0.91 -1.37 -1.18 0.00 -1.03 -4.67 120.51 112.10 2cqb n ALA 82 Ca 0.07 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.53 2cqb n ALA 82 Cb 0.35 -1.93 0.02 0.00 0.00 0.00 0.00 19.45 17.89 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 0.92 0.28 -2.18 0.00 2.85 -1.26 -4.84 118.16 113.92 2cqb n LYS 83 Ca 0.12 0.11 -0.42 0.00 -1.05 0.00 0.00 58.31 57.07 2cqb n LYS 83 Cb 0.29 -1.38 -0.03 0.00 -0.65 0.00 0.00 35.03 33.27 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 -1.57 4.29 -0.24 -1.58 0.04 -1.26 -5.01 135.00 129.67 2cqb s PRO 84 Ca 0.63 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.71 2cqb s PRO 84 Cb -0.48 -3.50 0.06 0.00 0.04 0.00 0.00 34.50 30.62 2cqb s PRO 84 CO 0.60 -0.55 -0.07 1.41 0.04 0.00 0.00 177.00 178.42 2cqb s MET 85 N 2.09 1.82 -0.27 4.56 1.75 -1.26 -5.08 119.30 122.91 2cqb s MET 85 Ca 0.65 -1.05 -0.01 0.00 -1.25 0.00 0.00 55.69 54.03 2cqb s MET 85 Cb -0.33 -2.64 0.08 0.00 2.84 0.00 0.00 34.83 34.78 2cqb s MET 85 CO 0.28 -0.57 0.06 0.50 -0.65 0.00 0.00 175.02 174.64 2cqb s ARG 86 N 1.33 0.84 0.92 4.11 3.00 -1.26 -5.12 118.95 122.77 2cqb s ARG 86 Ca -0.06 -0.93 -0.11 0.00 -1.00 0.00 0.00 55.73 53.63 2cqb s ARG 86 Cb -0.19 -2.14 0.15 0.00 0.00 0.00 0.00 34.95 32.77 2cqb s ARG 86 CO -0.06 -0.85 1.09 0.96 0.00 0.00 0.00 175.30 176.44 2cqb s ILE 87 N 1.62 2.54 0.26 4.11 -4.36 -1.26 -5.07 121.20 119.05 2cqb s ILE 87 Ca 0.05 0.18 0.01 0.00 -0.26 0.00 0.00 60.65 60.63 2cqb s ILE 87 Cb -0.17 -2.53 -0.05 0.00 1.25 0.00 0.00 42.46 40.96 2cqb s ILE 87 CO -0.18 -0.23 0.10 -0.75 0.24 0.00 0.00 174.94 174.12 2cqb s LYS 88 N -4.82 1.43 -0.30 0.37 2.20 -1.26 -5.16 119.74 112.21 2cqb s LYS 88 Ca 0.64 -1.78 -0.15 0.00 -0.36 0.00 0.00 55.97 54.32 2cqb s LYS 88 Cb -0.20 -0.23 0.17 0.00 -1.51 0.00 0.00 37.83 36.07 2cqb s LYS 88 CO 0.58 -0.32 1.05 -2.00 -0.36 0.00 0.00 175.35 174.31 2cqb s GLU 89 N -4.01 0.22 0.19 4.03 2.12 -1.26 -5.18 118.70 114.82 2cqb s GLU 89 Ca 0.37 0.52 0.10 0.00 0.36 0.00 0.00 54.97 56.32 2cqb s GLU 89 Cb 0.07 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.73 2cqb s GLU 89 CO 0.14 -0.12 -0.14 -1.54 -0.54 0.00 0.00 175.26 173.06 2cqb s SER 90 N 2.51 3.98 -0.39 -1.70 1.04 -1.26 -5.10 113.70 112.77 2cqb s SER 90 Ca -0.01 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 55.76 2cqb s SER 90 Cb -0.06 -0.56 0.16 0.00 0.10 0.00 0.00 66.02 65.66 2cqb s SER 90 CO -0.16 0.10 0.32 -0.83 0.98 0.00 0.00 173.24 173.65 2cqb s GLY 91 N -2.83 0.94 0.00 7.32 0.00 -1.26 -4.96 107.32 106.54 2cqb s GLY 91 Ca 0.24 -2.13 0.15 0.00 0.00 0.00 0.00 44.72 42.98 2cqb s GLY 91 CO 0.14 2.20 1.41 -1.55 0.00 0.00 0.00 173.10 175.30 2cqb n PRO 92 N 3.27 0.19 -0.31 2.90 -0.04 -1.26 -3.70 135.00 136.06 2cqb n PRO 92 Ca 0.23 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 2cqb n PRO 92 Cb 0.45 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.65 2cqb n PRO 92 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cqb h SER 93 N 0.00 -0.40 -3.85 3.54 4.64 -2.07 -3.37 113.55 112.05 2cqb h SER 93 Ca 0.00 0.25 -0.68 0.00 -0.47 0.00 0.00 61.79 60.88 2cqb h SER 93 Cb 0.15 0.42 -0.27 0.00 -0.31 0.00 0.00 62.40 62.39 2cqb h SER 93 CO 0.00 -0.28 -0.81 -0.44 -0.87 0.00 0.00 176.83 174.43 2cqb s SER 94 N -5.09 3.68 0.00 4.97 0.01 -1.24 -5.36 113.70 110.68 2cqb s SER 94 Ca -0.13 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2cqb s SER 94 Cb 0.27 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2cqb s SER 94 CO 0.77 0.26 0.00 0.61 0.41 0.00 0.00 173.24 175.29