#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 0.66 -0.16 1.61 1.04 -1.26 -5.14 113.70 110.45 2cqb s SER -5 Ca 0.00 0.00 -0.28 0.00 0.48 0.00 0.00 55.95 56.15 2cqb s SER -5 Cb 0.00 -0.20 0.08 0.00 0.10 0.00 0.00 66.02 65.99 2cqb s SER -5 CO 0.00 -0.15 0.73 -0.94 0.98 0.00 0.00 173.24 173.86 2cqb s SER -4 N 1.41 -0.68 0.00 7.02 1.04 -1.26 -5.17 113.70 116.06 2cqb s SER -4 Ca -0.05 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.42 2cqb s SER -4 Cb -0.13 0.95 0.00 0.00 0.10 0.00 0.00 66.02 66.94 2cqb s SER -4 CO -0.03 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2cqb n GLY -3 N 1.74 2.47 3.24 7.32 0.00 -1.26 -5.15 105.19 113.55 2cqb n GLY -3 Ca -0.16 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 2cqb n GLY -3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cqb n SER -2 N 0.00 -3.05 -0.06 1.61 3.41 -1.26 -4.99 113.62 109.29 2cqb n SER -2 Ca 0.00 -0.47 -0.01 0.00 -0.26 0.00 0.00 58.87 58.13 2cqb n SER -2 Cb 0.00 -1.00 -0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2cqb n SER -2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2cqb h SER -1 N -2.94 0.00 -1.23 4.04 0.02 -2.04 -3.49 113.55 107.92 2cqb h SER -1 Ca -0.45 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.71 2cqb h SER -1 Cb 1.21 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.47 2cqb h SER -1 CO 0.31 0.57 0.51 -0.83 -1.14 0.00 0.00 176.83 176.25 2cqb s GLY 0 N -3.74 0.24 -0.09 -3.77 0.00 -1.26 -5.08 107.32 93.63 2cqb s GLY 0 Ca -0.04 3.51 -0.01 0.00 0.00 0.00 0.00 44.72 48.18 2cqb s GLY 0 CO 0.07 3.06 -0.02 1.98 0.00 0.00 0.00 173.10 178.19 2cqb h MET 1 N 6.45 0.00 -7.49 2.90 -1.53 -2.00 -3.47 114.93 109.79 2cqb h MET 1 Ca -0.20 0.00 -0.49 0.00 -3.44 0.00 0.00 59.70 55.58 2cqb h MET 1 Cb 1.14 0.00 0.09 0.00 -0.55 0.00 0.00 31.60 32.28 2cqb h MET 1 CO 0.14 0.00 0.40 0.00 0.14 0.00 0.00 176.91 177.58 2cqb s ALA 2 N -2.64 2.72 -0.05 0.39 0.00 -1.26 -5.01 121.76 115.90 2cqb s ALA 2 Ca -0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 2cqb s ALA 2 Cb 0.00 -3.03 -0.25 0.00 0.00 0.00 0.00 23.12 19.85 2cqb s ALA 2 CO 0.02 -1.36 0.99 1.79 0.00 0.00 0.00 175.76 177.20 2cqb h THR 3 N -0.82 1.56 -3.58 0.00 1.35 -2.01 -3.42 112.91 106.00 2cqb h THR 3 Ca -0.46 -2.08 -0.66 0.00 -0.55 0.00 0.00 66.41 62.66 2cqb h THR 3 Cb 1.27 2.88 -0.16 0.00 -1.73 0.00 0.00 68.15 70.41 2cqb h THR 3 CO 0.63 0.57 0.02 -0.89 -0.25 0.00 0.00 175.52 175.61 2cqb s THR 4 N -2.94 4.91 -0.32 6.82 2.01 -1.26 -4.91 115.64 119.95 2cqb s THR 4 Ca -0.16 0.04 0.07 0.00 0.31 0.00 0.00 61.69 61.96 2cqb s THR 4 Cb 0.01 -4.13 0.49 0.00 0.01 0.00 0.00 72.50 68.88 2cqb s THR 4 CO 0.76 -0.50 1.46 0.29 -0.69 0.00 0.00 174.62 175.93 2cqb n LYS 5 N 6.03 2.17 -0.13 4.92 5.02 -1.26 -4.62 118.16 130.29 2cqb n LYS 5 Ca -0.03 -3.37 -0.27 0.00 -2.02 0.00 0.00 58.31 52.62 2cqb n LYS 5 Cb 0.48 -1.92 -0.11 0.00 -0.02 0.00 0.00 35.03 33.46 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 -1.05 0.60 -2.60 1.97 1.74 -1.26 -4.31 116.66 111.76 2cqb n ARG 6 Ca 0.37 0.25 -0.43 0.00 -0.77 0.00 0.00 57.85 57.27 2cqb n ARG 6 Cb 0.99 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.89 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 -2.51 4.58 -0.12 1.55 1.01 -1.26 -1.95 120.40 121.70 2cqb s VAL 7 Ca -0.37 1.90 -0.04 0.00 0.00 0.00 0.00 61.98 63.46 2cqb s VAL 7 Cb 0.13 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2cqb s VAL 7 CO 0.52 -0.15 0.03 -0.76 0.00 0.00 0.00 175.10 174.75 2cqb s LEU 8 N 3.13 3.74 -0.24 3.92 1.43 0.67 -2.92 118.68 128.41 2cqb s LEU 8 Ca 0.47 0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.61 2cqb s LEU 8 Cb -0.17 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2cqb s LEU 8 CO 0.10 0.33 0.29 -0.47 0.23 0.00 0.00 176.35 176.82 2cqb s TYR 9 N -0.56 3.30 -0.14 0.29 6.14 0.71 -1.17 117.35 125.92 2cqb s TYR 9 Ca 0.10 0.37 -0.02 0.00 0.64 0.00 0.00 57.07 58.16 2cqb s TYR 9 Cb -0.12 -2.44 -0.02 0.00 0.42 0.00 0.00 41.96 39.80 2cqb s TYR 9 CO 0.02 -0.07 -0.09 0.08 0.64 0.00 0.00 175.55 176.13 2cqb s VAL 10 N 1.50 3.42 0.38 3.14 1.01 -0.74 -1.71 120.40 127.40 2cqb s VAL 10 Ca 0.13 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.61 2cqb s VAL 10 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2cqb s VAL 10 CO 0.08 0.51 0.09 -0.83 0.00 0.00 0.00 175.10 174.95 2cqb s GLY 11 N 0.31 2.42 -1.57 4.51 0.00 0.81 -1.70 107.32 112.08 2cqb s GLY 11 Ca -0.07 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.13 2cqb s GLY 11 CO 0.04 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 171.90 2cqb n GLY 12 N -0.85 -0.03 3.57 0.20 0.00 -0.81 -1.17 105.19 106.09 2cqb n GLY 12 Ca -0.06 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.93 0.74 0.00 0.99 1.43 -0.79 -4.24 118.68 111.88 2cqb s LEU 13 Ca 0.00 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 54.04 2cqb s LEU 13 Cb 0.00 -2.81 0.11 0.00 0.03 0.00 0.00 46.19 43.53 2cqb s LEU 13 CO 0.00 -4.00 0.77 0.00 0.23 0.00 0.00 176.35 173.35 2cqb n ALA 14 N -4.72 0.11 0.44 4.21 0.00 -1.26 -4.86 120.51 114.43 2cqb n ALA 14 Ca 0.09 -1.49 0.12 0.00 0.00 0.00 0.00 53.44 52.16 2cqb n ALA 14 Cb 0.58 0.24 0.21 0.00 0.00 0.00 0.00 19.45 20.48 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 -0.43 0.00 4.11 -1.98 -3.28 114.58 113.00 2cqb h GLU 15 Ca -0.25 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.93 2cqb h GLU 15 Cb 0.93 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.03 2cqb h GLU 15 CO 0.27 0.00 -0.08 0.39 0.07 0.00 0.00 179.01 179.66 2cqb n GLU 16 N -2.45 2.01 -5.19 1.06 -0.58 -1.26 -4.98 120.64 109.26 2cqb n GLU 16 Ca 0.04 -3.28 -0.31 0.00 -0.42 0.00 0.00 57.16 53.19 2cqb n GLU 16 Cb 0.47 -1.89 -0.17 0.00 -0.57 0.00 0.00 31.44 29.29 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 -3.44 1.98 0.29 2.62 1.01 -1.24 -4.91 120.40 116.71 2cqb s VAL 17 Ca 0.46 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 2cqb s VAL 17 Cb 0.42 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 35.10 2cqb s VAL 17 CO 0.00 0.55 0.40 0.47 0.00 0.00 0.00 175.10 176.52 2cqb n ASP 18 N 3.29 -1.12 -0.43 3.32 8.00 -1.26 -4.83 116.55 123.51 2cqb n ASP 18 Ca -0.19 -2.53 0.36 0.00 0.71 0.00 0.00 54.79 53.15 2cqb n ASP 18 Cb 0.53 2.09 0.64 0.00 -0.02 0.00 0.00 41.12 44.35 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 1.60 0.26 0.45 -2.24 2.03 -1.97 0.87 116.42 117.42 2cqb h ASP 19 Ca -0.22 0.15 -0.02 0.00 -0.73 0.00 0.00 57.03 56.20 2cqb h ASP 19 Cb 0.96 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2cqb h ASP 19 CO 0.30 -0.20 -0.22 0.11 -1.03 0.00 0.00 179.24 178.21 2cqb h LYS 20 N 0.09 -0.58 -0.76 4.15 6.56 -1.98 0.20 116.57 124.25 2cqb h LYS 20 Ca 0.82 0.04 0.16 0.00 -1.06 0.00 0.00 60.65 60.61 2cqb h LYS 20 Cb 2.52 0.13 -0.11 0.00 -0.57 0.00 0.00 32.23 34.20 2cqb h LYS 20 CO -0.45 -0.39 0.23 0.28 -2.06 0.00 0.00 179.45 177.07 2cqb h VAL 21 N -0.89 0.54 -0.41 0.50 2.07 -1.42 -0.23 116.25 116.42 2cqb h VAL 21 Ca -0.06 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2cqb h VAL 21 Cb 0.46 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2cqb h VAL 21 CO 0.10 0.06 -0.20 -0.07 0.02 0.00 0.00 177.57 177.48 2cqb h LEU 22 N 0.33 0.89 0.03 2.57 3.38 -0.96 -1.31 115.31 120.24 2cqb h LEU 22 Ca 0.43 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2cqb h LEU 22 Cb 0.73 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2cqb h LEU 22 CO -0.49 1.10 -0.44 -0.74 0.09 0.00 0.00 178.44 177.97 2cqb h HIS 23 N 0.68 -1.24 0.00 1.13 2.76 0.12 0.39 115.15 118.99 2cqb h HIS 23 Ca 0.09 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2cqb h HIS 23 Cb 0.77 0.54 0.00 0.00 1.55 0.00 0.00 27.41 30.27 2cqb h HIS 23 CO 0.06 -0.52 0.00 0.00 -1.30 0.00 0.00 177.93 176.17 2cqb h ALA 24 N -0.13 1.00 0.00 5.26 0.00 -1.38 0.28 119.26 124.29 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 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2cqb h ALA 24 CO -0.30 0.00 -0.19 0.00 0.00 0.00 0.00 179.25 178.76 2cqb h ALA 25 N 2.04 0.90 -0.00 0.00 0.00 0.14 -3.29 119.26 119.05 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 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 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 -2.96 0.00 0.15 0.00 3.01 0.12 -4.65 117.46 113.13 2cqb n PHE 26 Ca 0.03 -0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.56 2cqb n PHE 26 Cb 0.53 -0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.55 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 -0.01 4.37 6.09 -0.53 -2.77 117.51 126.07 2cqb h ILE 27 Ca 0.00 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 2cqb h ILE 27 Cb 0.08 0.78 -0.00 0.00 0.47 0.00 0.00 36.82 38.15 2cqb h ILE 27 CO 0.00 0.04 0.01 -0.65 -3.07 0.00 0.00 178.15 174.48 2cqb h PRO 28 N 0.24 0.01 -0.33 2.19 0.11 -1.82 -3.11 132.00 129.28 2cqb h PRO 28 Ca 0.07 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.25 2cqb h PRO 28 Cb -0.01 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.01 2cqb h PRO 28 CO -0.01 0.03 -0.33 0.74 -0.21 0.00 0.00 178.00 178.21 2cqb h PHE 29 N -0.01 -0.93 0.00 0.65 0.04 -1.82 -3.47 116.94 111.40 2cqb h PHE 29 Ca 0.00 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2cqb h PHE 29 Cb 0.02 0.46 0.00 0.00 2.20 0.00 0.00 35.95 38.63 2cqb h PHE 29 CO -0.07 -0.39 0.00 0.41 -0.60 0.00 0.00 178.31 177.66 2cqb n GLY 30 N -1.41 3.39 3.06 -1.45 0.00 -1.18 -5.02 105.19 102.58 2cqb n GLY 30 Ca -0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 2.00 5.03 -0.70 1.61 1.01 -1.26 -4.59 116.67 119.78 2cqb s ASP 31 Ca 0.00 -2.93 -0.28 0.00 0.71 0.00 0.00 52.55 50.05 2cqb s ASP 31 Cb 0.00 -1.81 -0.13 0.00 1.01 0.00 0.00 42.92 41.99 2cqb s ASP 31 CO 0.00 -0.33 2.53 -0.38 0.21 0.00 0.00 175.17 177.20 2cqb n ILE 32 N 3.35 -0.05 -0.15 0.77 5.41 -1.26 -3.48 119.36 123.95 2cqb n ILE 32 Ca 0.08 -0.47 -0.03 0.00 1.00 0.00 0.00 62.75 63.33 2cqb n ILE 32 Cb 0.36 -1.84 0.05 0.00 -0.71 0.00 0.00 39.64 37.50 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 7.82 0.66 -2.52 1.39 1.35 -1.40 -3.46 112.91 116.74 2cqb h THR 33 Ca -0.16 -0.05 0.06 0.00 -0.55 0.00 0.00 66.41 65.72 2cqb h THR 33 Cb 1.29 0.51 -0.14 0.00 -1.73 0.00 0.00 68.15 68.08 2cqb h THR 33 CO 1.25 0.02 0.40 -0.62 -0.25 0.00 0.00 175.52 176.32 2cqb s ASP 34 N -5.26 -0.44 -0.01 5.36 2.15 -1.23 -5.05 116.67 112.19 2cqb s ASP 34 Ca -0.13 0.00 0.03 0.00 0.43 0.00 0.00 52.55 52.88 2cqb s ASP 34 Cb 0.15 0.46 -0.01 0.00 -0.30 0.00 0.00 42.92 43.23 2cqb s ASP 34 CO 0.72 -0.74 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.27 2cqb s ILE 35 N -3.32 0.66 -0.06 4.11 1.01 -1.26 -1.16 121.20 121.17 2cqb s ILE 35 Ca 0.04 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.38 2cqb s ILE 35 Cb -0.01 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 2cqb s ILE 35 CO -0.10 0.19 -0.23 -1.10 0.00 0.00 0.00 174.94 173.70 2cqb s GLN 36 N -0.18 2.60 -0.19 2.79 1.11 -0.63 -5.02 119.66 120.14 2cqb s GLN 36 Ca 0.03 -0.86 0.01 0.00 0.01 0.00 0.00 55.36 54.55 2cqb s GLN 36 Cb -0.03 -2.22 0.03 0.00 -1.01 0.00 0.00 33.01 29.78 2cqb s GLN 36 CO -0.00 0.41 -0.14 0.42 0.01 0.00 0.00 175.29 175.98 2cqb s ILE 37 N -0.21 1.86 -0.06 1.08 -1.09 -1.26 -2.04 121.20 119.48 2cqb s ILE 37 Ca -0.02 -1.02 -0.30 0.00 -2.23 0.00 0.00 60.65 57.09 2cqb s ILE 37 Cb -0.13 -1.81 -0.05 0.00 -1.58 0.00 0.00 42.46 38.88 2cqb s ILE 37 CO 0.03 0.32 1.49 -2.16 -1.23 0.00 0.00 174.94 173.39 2cqb s PRO 38 N 1.33 4.22 0.09 2.79 0.04 -1.26 -5.01 135.00 137.20 2cqb s PRO 38 Ca 0.01 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2cqb s PRO 38 Cb -0.15 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2cqb s PRO 38 CO -0.10 -0.73 -0.08 -0.51 0.04 0.00 0.00 177.00 175.62 2cqb s LEU 39 N 3.38 2.44 0.63 -3.56 1.43 -1.26 -3.65 118.68 118.10 2cqb s LEU 39 Ca 0.66 -0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2cqb s LEU 39 Cb -0.30 -0.17 0.07 0.00 0.03 0.00 0.00 46.19 45.81 2cqb s LEU 39 CO 0.25 -0.36 0.89 -0.62 0.23 0.00 0.00 176.35 176.74 2cqb s ASP 40 N -2.65 4.89 0.00 2.29 -1.08 -1.21 -4.85 116.67 114.06 2cqb s ASP 40 Ca 0.07 -0.04 0.24 0.00 -0.52 0.00 0.00 52.55 52.30 2cqb s ASP 40 Cb 0.00 -0.64 0.33 0.00 -1.46 0.00 0.00 42.92 41.15 2cqb s ASP 40 CO -0.02 -1.46 1.31 0.00 0.52 0.00 0.00 175.17 175.52 2cqb n TYR 41 N -2.61 0.00 -0.02 -5.34 4.11 -1.26 -2.03 117.16 110.02 2cqb n TYR 41 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.98 2cqb n TYR 41 Cb 0.60 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.34 39.89 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 0.05 1.50 -0.01 -3.48 1.02 -1.26 -4.77 120.64 113.70 2cqb n GLU 42 Ca 0.12 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.32 2cqb n GLU 42 Cb 0.45 -1.08 -0.08 0.00 -0.02 0.00 0.00 31.44 30.70 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 -2.41 0.04 -3.03 2.62 -2.24 -1.26 -5.00 114.28 103.00 2cqb n THR 43 Ca -0.07 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.29 2cqb n THR 43 Cb 0.59 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.02 2cqb n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cqb n GLU 44 N -1.89 -2.93 -4.33 -0.78 4.71 -0.86 -4.83 120.64 109.74 2cqb n GLU 44 Ca -0.03 0.45 -0.23 0.00 -0.01 0.00 0.00 57.16 57.34 2cqb n GLU 44 Cb 0.30 -5.09 -0.08 0.00 -1.01 0.00 0.00 31.44 25.56 2cqb n GLU 44 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2cqb s LYS 45 N -5.64 2.16 0.17 3.49 -2.85 -1.26 -4.59 119.74 111.22 2cqb s LYS 45 Ca 0.25 -1.52 0.05 0.00 -1.00 0.00 0.00 55.97 53.75 2cqb s LYS 45 Cb -0.13 -2.07 -0.04 0.00 -2.06 0.00 0.00 37.83 33.53 2cqb s LYS 45 CO 0.30 0.33 0.13 -3.38 0.10 0.00 0.00 175.35 172.84 2cqb s HIS 46 N -2.38 3.13 -0.26 1.78 -3.43 -1.24 -3.32 115.29 109.57 2cqb s HIS 46 Ca 0.32 -0.03 -0.02 0.00 -0.80 0.00 0.00 55.06 54.53 2cqb s HIS 46 Cb -0.05 -1.50 0.10 0.00 -1.43 0.00 0.00 32.58 29.70 2cqb s HIS 46 CO 0.19 0.52 2.32 -2.13 -2.00 0.00 0.00 174.74 173.64 2cqb n ARG 47 N -0.39 1.79 -3.47 -0.38 0.63 -1.26 -4.76 116.66 108.82 2cqb n ARG 47 Ca -0.08 -1.38 -0.18 0.00 -0.92 0.00 0.00 57.85 55.29 2cqb n ARG 47 Cb 0.55 -1.64 0.08 0.00 0.45 0.00 0.00 32.46 31.89 2cqb n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2cqb n GLY 48 N 0.88 -0.41 3.63 5.14 0.00 -1.26 -4.76 105.19 108.40 2cqb n GLY 48 Ca 0.30 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.42 -0.24 0.16 1.61 -0.71 -1.26 -1.88 117.98 112.23 2cqb s PHE 49 Ca 0.04 0.02 -0.14 0.00 -1.04 0.00 0.00 56.93 55.80 2cqb s PHE 49 Cb -0.01 0.59 0.05 0.00 -1.21 0.00 0.00 43.02 42.45 2cqb s PHE 49 CO 0.75 -0.70 0.69 0.00 -1.34 0.00 0.00 175.22 174.62 2cqb n ALA 50 N -0.36 -1.76 -3.87 1.99 0.00 -0.69 -4.55 120.51 111.27 2cqb n ALA 50 Ca -0.08 -0.75 -0.26 0.00 0.00 0.00 0.00 53.44 52.36 2cqb n ALA 50 Cb 0.61 0.45 -0.17 0.00 0.00 0.00 0.00 19.45 20.35 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 -3.47 1.26 -0.24 0.00 0.08 -0.87 -1.79 117.98 112.95 2cqb s PHE 51 Ca 0.15 -0.58 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 2cqb s PHE 51 Cb -0.02 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 2cqb s PHE 51 CO 0.05 -0.46 0.05 0.08 -0.10 0.00 0.00 175.22 174.84 2cqb s VAL 52 N 1.78 4.20 -0.22 -0.44 1.01 -0.32 -1.60 120.40 124.81 2cqb s VAL 52 Ca 0.05 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 2cqb s VAL 52 Cb -0.12 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2cqb s VAL 52 CO -0.07 0.35 0.50 -0.70 0.00 0.00 0.00 175.10 175.18 2cqb s GLU 53 N 1.55 4.15 0.46 2.72 2.12 -0.31 -0.23 118.70 129.17 2cqb s GLU 53 Ca 0.06 0.36 -0.01 0.00 0.36 0.00 0.00 54.97 55.74 2cqb s GLU 53 Cb -0.15 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 2cqb s GLU 53 CO 0.03 -0.19 0.70 -0.06 -0.54 0.00 0.00 175.26 175.20 2cqb s PHE 54 N 1.77 3.26 0.22 5.30 0.40 -0.82 -1.17 117.98 126.93 2cqb s PHE 54 Ca 0.23 0.33 -0.07 0.00 -0.60 0.00 0.00 56.93 56.81 2cqb s PHE 54 Cb -0.15 -2.34 0.17 0.00 0.51 0.00 0.00 43.02 41.20 2cqb s PHE 54 CO 0.09 -0.39 1.74 1.49 0.70 0.00 0.00 175.22 178.86 2cqb h GLU 55 N 0.33 1.11 -4.94 0.44 4.81 -1.90 -3.42 114.58 111.01 2cqb h GLU 55 Ca -0.46 -0.25 -0.46 0.00 -0.13 0.00 0.00 59.36 58.05 2cqb h GLU 55 Cb 1.25 -0.15 -0.14 0.00 0.63 0.00 0.00 28.75 30.34 2cqb h GLU 55 CO 0.58 0.96 -0.54 -0.51 -0.73 0.00 0.00 179.01 178.78 2cqb s LEU 56 N -9.54 1.79 -0.10 1.64 1.43 -1.26 -5.05 118.68 107.58 2cqb s LEU 56 Ca -0.12 -1.61 -0.25 0.00 -1.03 0.00 0.00 54.13 51.12 2cqb s LEU 56 Cb 0.15 0.15 -0.21 0.00 0.03 0.00 0.00 46.19 46.30 2cqb s LEU 56 CO 0.84 -0.92 0.79 0.00 0.23 0.00 0.00 176.35 177.30 2cqb h ALA 57 N 2.08 -0.03 -0.17 4.21 0.00 -1.89 -3.27 119.26 120.20 2cqb h ALA 57 Ca -0.33 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.23 2cqb h ALA 57 Cb 1.25 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2cqb h ALA 57 CO 0.52 -0.08 -0.18 0.93 0.00 0.00 0.00 179.25 180.43 2cqb h GLU 58 N -0.89 -0.10 -0.97 0.00 5.08 -1.99 -0.31 114.58 115.40 2cqb h GLU 58 Ca -0.00 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.60 2cqb h GLU 58 Cb 0.76 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 29.85 2cqb h GLU 58 CO 0.00 -0.07 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.45 2cqb h ASP 59 N -0.10 -0.61 -0.07 1.42 3.32 -1.93 0.21 116.42 118.65 2cqb h ASP 59 Ca 0.03 0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.40 2cqb h ASP 59 Cb 0.18 0.52 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 2cqb h ASP 59 CO -0.21 -0.33 -0.30 0.00 -1.72 0.00 0.00 179.24 176.67 2cqb h ALA 60 N 1.96 -0.38 -0.67 3.45 0.00 -1.14 -0.86 119.26 121.62 2cqb h ALA 60 Ca 0.54 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.60 2cqb h ALA 60 Cb 1.02 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.27 2cqb h ALA 60 CO -0.93 -0.79 0.13 0.00 0.00 0.00 0.00 179.25 177.66 2cqb h ALA 61 N 0.39 0.80 -0.76 0.00 0.00 0.27 0.71 119.26 120.66 2cqb h ALA 61 Ca 0.08 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2cqb h ALA 61 Cb 0.53 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2cqb h ALA 61 CO -0.30 -0.33 0.45 0.00 0.00 0.00 0.00 179.25 179.07 2cqb h ALA 62 N 1.55 1.37 -0.72 0.00 0.00 -0.76 -2.05 119.26 118.64 2cqb h ALA 62 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2cqb h ALA 62 Cb 0.58 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2cqb h ALA 62 CO -0.47 0.54 0.41 0.00 0.00 0.00 0.00 179.25 179.73 2cqb h ALA 63 N 1.45 0.92 0.73 0.00 0.00 0.50 -3.06 119.26 119.80 2cqb h ALA 63 Ca 0.27 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2cqb h ALA 63 Cb -0.04 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.47 2cqb h ALA 63 CO -0.05 0.42 -0.35 0.82 0.00 0.00 0.00 179.25 180.09 2cqb h ILE 64 N 0.99 0.00 -1.35 0.00 2.04 -0.88 0.36 117.51 118.67 2cqb h ILE 64 Ca 0.26 -0.28 0.39 0.00 1.00 0.00 0.00 64.86 66.22 2cqb h ILE 64 Cb 0.01 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.04 2cqb h ILE 64 CO -0.04 0.00 1.26 -0.67 0.00 0.00 0.00 178.15 178.69 2cqb n ASP 65 N -5.41 0.00 0.00 1.72 -0.08 -0.82 -0.10 116.55 111.86 2cqb n ASP 65 Ca -0.12 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 53.98 2cqb n ASP 65 Cb 0.39 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.51 2cqb n ASP 65 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2cqb n ASN 66 N -3.43 0.00 -0.37 1.67 3.02 -1.09 -4.65 115.26 110.42 2cqb n ASN 66 Ca 0.30 0.01 0.03 0.00 -0.03 0.00 0.00 54.58 54.89 2cqb n ASN 66 Cb 1.66 -0.33 0.10 0.00 -0.61 0.00 0.00 39.78 40.60 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 -2.13 -0.15 -1.25 3.52 2.81 0.12 -4.40 117.12 115.64 2cqb n MET 67 Ca 0.00 1.53 -0.52 0.00 -1.81 0.00 0.00 57.70 56.90 2cqb n MET 67 Cb 0.00 -2.28 -0.09 0.00 -0.71 0.00 0.00 33.22 30.14 2cqb n MET 67 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2cqb n ASN 68 N -5.54 0.82 -2.85 7.83 6.94 0.86 0.15 115.26 123.47 2cqb n ASN 68 Ca 0.13 0.79 -0.17 0.00 -0.02 0.00 0.00 54.58 55.31 2cqb n ASN 68 Cb 0.45 -0.72 0.06 0.00 -2.36 0.00 0.00 39.78 37.21 2cqb n ASN 68 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2cqb n GLU 69 N 4.44 -5.85 -3.06 -3.83 1.02 -0.96 -4.89 120.64 107.51 2cqb n GLU 69 Ca 0.33 0.63 -0.18 0.00 -0.02 0.00 0.00 57.16 57.93 2cqb n GLU 69 Cb -0.04 -5.06 0.01 0.00 -0.02 0.00 0.00 31.44 26.32 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 -3.41 5.69 -0.41 1.62 0.01 0.39 -4.91 113.70 112.68 2cqb s SER 70 Ca 0.35 -0.32 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 2cqb s SER 70 Cb -0.16 -0.81 0.03 0.00 0.21 0.00 0.00 66.02 65.30 2cqb s SER 70 CO 0.55 -0.73 0.30 -0.70 0.41 0.00 0.00 173.24 173.08 2cqb s GLU 71 N -4.36 2.95 -0.17 12.44 2.12 -1.26 -2.30 118.70 128.13 2cqb s GLU 71 Ca 0.53 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.79 2cqb s GLU 71 Cb -0.10 -3.97 0.03 0.00 0.26 0.00 0.00 34.13 30.35 2cqb s GLU 71 CO 0.33 -0.78 -0.12 -1.17 -0.54 0.00 0.00 175.26 172.98 2cqb s LEU 72 N 1.66 1.89 -1.37 2.70 2.96 0.53 -4.73 118.68 122.32 2cqb s LEU 72 Ca 0.05 -0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 2cqb s LEU 72 Cb -0.20 -1.17 0.01 0.00 0.50 0.00 0.00 46.19 45.33 2cqb s LEU 72 CO 0.09 -0.10 0.80 0.49 -1.32 0.00 0.00 176.35 176.31 2cqb n PHE 73 N 4.75 -2.21 -1.66 5.38 3.01 -1.26 -1.68 117.46 123.79 2cqb n PHE 73 Ca -0.16 0.69 -0.11 0.00 1.01 0.00 0.00 57.45 58.88 2cqb n PHE 73 Cb 0.48 -4.49 -0.03 0.00 -0.01 0.00 0.00 39.48 35.43 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 -1.67 0.72 3.28 1.37 0.00 -1.26 -5.01 105.19 102.62 2cqb n GLY 74 Ca -0.06 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.55 1.21 -0.50 1.61 0.52 -0.68 -5.12 118.95 112.44 2cqb s ARG 75 Ca 0.00 -1.60 -0.10 0.00 -0.52 0.00 0.00 55.73 53.51 2cqb s ARG 75 Cb 0.00 -0.38 0.13 0.00 0.52 0.00 0.00 34.95 35.21 2cqb s ARG 75 CO 0.00 -0.13 0.39 0.99 0.02 0.00 0.00 175.30 176.57 2cqb s THR 76 N -3.59 4.42 0.40 0.02 2.01 -1.26 -0.35 115.64 117.30 2cqb s THR 76 Ca 0.26 -1.80 -0.08 0.00 0.31 0.00 0.00 61.69 60.39 2cqb s THR 76 Cb 0.06 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 2cqb s THR 76 CO 0.06 -0.81 0.73 0.27 -0.69 0.00 0.00 174.62 174.19 2cqb s ILE 77 N 1.32 4.86 -0.09 1.82 -4.36 -0.97 -4.78 121.20 118.99 2cqb s ILE 77 Ca 0.06 0.42 0.01 0.00 -0.26 0.00 0.00 60.65 60.88 2cqb s ILE 77 Cb -0.26 -3.76 -0.02 0.00 1.25 0.00 0.00 42.46 39.66 2cqb s ILE 77 CO -0.00 -0.56 -0.13 -0.13 0.24 0.00 0.00 174.94 174.35 2cqb s ARG 78 N -4.00 2.99 -0.04 0.37 1.81 -0.32 -2.27 118.95 117.49 2cqb s ARG 78 Ca 0.49 -0.68 0.05 0.00 -1.72 0.00 0.00 55.73 53.87 2cqb s ARG 78 Cb -0.10 -2.52 -0.01 0.00 -0.45 0.00 0.00 34.95 31.87 2cqb s ARG 78 CO 0.34 0.41 -0.20 0.08 -0.68 0.00 0.00 175.30 175.25 2cqb s VAL 79 N -0.16 1.61 -0.04 3.52 1.01 -1.26 -0.14 120.40 124.94 2cqb s VAL 79 Ca -0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2cqb s VAL 79 Cb -0.13 -1.37 0.11 0.00 0.00 0.00 0.00 36.38 34.99 2cqb s VAL 79 CO 0.03 0.46 0.98 0.54 0.00 0.00 0.00 175.10 177.11 2cqb s ASN 80 N -0.10 -0.29 0.27 3.32 4.22 -0.70 -4.55 114.94 117.11 2cqb s ASN 80 Ca -0.02 -0.02 -0.29 0.00 -2.14 0.00 0.00 52.86 50.39 2cqb s ASN 80 Cb -0.11 0.33 -0.14 0.00 1.28 0.00 0.00 41.25 42.60 2cqb s ASN 80 CO 0.02 -0.53 1.11 0.18 -2.04 0.00 0.00 177.10 175.84 2cqb n LEU 81 N -0.22 2.07 -4.68 3.54 4.77 -1.26 -0.20 117.00 121.02 2cqb n LEU 81 Ca -0.06 1.17 -0.48 0.00 -0.03 0.00 0.00 56.01 56.61 2cqb n LEU 81 Cb 0.61 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.34 2cqb n LEU 81 CO 0.10 -1.19 1.46 0.00 -1.33 0.00 0.00 177.39 176.43 2cqb n ALA 82 N 0.63 0.97 -1.76 -1.18 0.00 -1.15 -4.63 120.51 113.39 2cqb n ALA 82 Ca 0.10 0.30 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 2cqb n ALA 82 Cb 0.31 -2.49 0.01 0.00 0.00 0.00 0.00 19.45 17.28 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 3.65 3.52 -0.38 0.00 -2.85 -1.26 -4.93 119.74 117.49 2cqb s LYS 83 Ca 0.91 1.87 -0.28 0.00 -1.00 0.00 0.00 55.97 57.46 2cqb s LYS 83 Cb -0.68 -2.30 -0.01 0.00 -2.06 0.00 0.00 37.83 32.78 2cqb s LYS 83 CO 0.49 -0.77 1.72 -1.25 0.10 0.00 0.00 175.35 175.64 2cqb s PRO 84 N -2.84 3.30 0.54 1.78 0.04 -1.26 -5.00 135.00 131.55 2cqb s PRO 84 Ca 0.67 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.96 2cqb s PRO 84 Cb -0.31 -4.19 0.04 0.00 0.04 0.00 0.00 34.50 30.08 2cqb s PRO 84 CO 0.37 -1.91 0.75 0.00 0.04 0.00 0.00 177.00 176.25 2cqb s MET 85 N 5.68 2.52 -0.00 4.56 0.23 -1.26 -5.12 119.30 125.90 2cqb s MET 85 Ca 0.74 -0.97 0.01 0.00 -1.03 0.00 0.00 55.69 54.44 2cqb s MET 85 Cb -0.19 -2.55 -0.00 0.00 -1.53 0.00 0.00 34.83 30.56 2cqb s MET 85 CO 0.32 -0.68 -0.02 0.50 -2.03 0.00 0.00 175.02 173.10 2cqb s ARG 86 N -4.69 0.21 -0.09 3.16 3.52 -1.26 -5.15 118.95 114.65 2cqb s ARG 86 Ca 0.58 -0.08 0.05 0.00 -0.13 0.00 0.00 55.73 56.14 2cqb s ARG 86 Cb -0.10 -0.21 -0.00 0.00 -1.56 0.00 0.00 34.95 33.08 2cqb s ARG 86 CO 0.38 0.05 -0.24 0.96 -0.81 0.00 0.00 175.30 175.63 2cqb s ILE 87 N -0.02 2.04 -0.30 4.11 -4.36 -1.26 -5.09 121.20 116.32 2cqb s ILE 87 Ca 0.01 -1.02 -0.10 0.00 -0.26 0.00 0.00 60.65 59.27 2cqb s ILE 87 Cb -0.01 -1.75 0.18 0.00 1.25 0.00 0.00 42.46 42.13 2cqb s ILE 87 CO -0.00 0.56 0.94 -0.75 0.24 0.00 0.00 174.94 175.93 2cqb s LYS 88 N 0.18 0.28 -0.08 0.37 2.36 -1.26 -5.16 119.74 116.42 2cqb s LYS 88 Ca -0.14 0.49 0.03 0.00 -2.55 0.00 0.00 55.97 53.81 2cqb s LYS 88 Cb -0.17 0.27 -0.02 0.00 -1.05 0.00 0.00 37.83 36.87 2cqb s LYS 88 CO 0.07 -0.30 -0.18 -1.83 1.55 0.00 0.00 175.35 174.66 2cqb s GLU 89 N 2.92 2.85 -0.09 4.03 4.04 -1.26 -5.05 118.70 126.15 2cqb s GLU 89 Ca 0.04 -0.78 -0.08 0.00 0.04 0.00 0.00 54.97 54.19 2cqb s GLU 89 Cb -0.11 -2.38 -0.06 0.00 0.02 0.00 0.00 34.13 31.60 2cqb s GLU 89 CO -0.13 0.37 0.29 1.03 -1.84 0.00 0.00 175.26 174.98 2cqb h SER 90 N 6.13 -0.11 -6.21 0.83 0.87 -2.08 -3.48 113.55 109.50 2cqb h SER 90 Ca -0.33 -0.13 -0.38 0.00 -1.23 0.00 0.00 61.79 59.73 2cqb h SER 90 Cb 1.19 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2cqb h SER 90 CO 0.51 0.43 -0.93 0.61 -0.53 0.00 0.00 176.83 176.92 2cqb n GLY 91 N 1.37 -0.70 3.67 5.77 0.00 -1.26 -4.80 105.19 109.25 2cqb n GLY 91 Ca -0.03 0.62 -0.42 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.69 4.23 -1.03 1.61 0.04 -1.26 -4.96 135.00 129.95 2cqb s PRO 92 Ca 0.09 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 2cqb s PRO 92 Cb -0.01 -3.74 0.23 0.00 0.04 0.00 0.00 34.50 31.02 2cqb s PRO 92 CO 0.72 -0.70 1.06 -1.12 0.04 0.00 0.00 177.00 177.00 2cqb s SER 93 N 2.43 7.06 -0.07 6.66 0.01 -1.26 -4.97 113.70 123.56 2cqb s SER 93 Ca 0.66 -3.11 -0.21 0.00 1.31 0.00 0.00 55.95 54.61 2cqb s SER 93 Cb -0.31 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 63.71 2cqb s SER 93 CO 0.26 -0.51 0.48 -0.94 0.41 0.00 0.00 173.24 172.94 2cqb s SER 94 N 1.99 -0.43 0.00 2.44 1.04 -1.26 -5.35 113.70 112.13 2cqb s SER 94 Ca 0.29 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.23 2cqb s SER 94 Cb -0.09 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2cqb s SER 94 CO -0.07 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.32