#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d0q n HIS 3 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -2.61 115.22 112.96 1d0q n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1d0q n HIS 3 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 1d0q n HIS 3 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1d0q n ARG 4 N 3.16 0.00 -4.39 -1.40 1.74 -1.26 -4.59 116.66 109.92 1d0q n ARG 4 Ca 0.00 0.21 -0.34 0.00 -0.77 0.00 0.00 57.85 56.96 1d0q n ARG 4 Cb 0.00 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 29.64 1d0q n ARG 4 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1d0q s ILE 5 N -2.33 3.96 0.64 0.55 1.01 -1.07 -4.93 121.20 119.03 1d0q s ILE 5 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 1d0q s ILE 5 Cb 0.00 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 1d0q s ILE 5 CO 0.00 0.50 1.23 -2.84 0.00 0.00 0.00 174.94 173.83 1d0q s PRO 6 N 0.27 2.66 0.28 2.79 0.02 -1.26 -4.77 135.00 134.99 1d0q s PRO 6 Ca -0.03 1.88 -0.03 0.00 0.02 0.00 0.00 61.00 62.84 1d0q s PRO 6 Cb -0.14 -1.88 0.37 0.00 0.02 0.00 0.00 34.50 32.87 1d0q s PRO 6 CO 0.03 -1.46 1.94 0.93 -0.33 0.00 0.00 177.00 178.11 1d0q h GLU 7 N 0.52 1.19 0.00 5.54 4.39 -1.92 -0.96 114.58 123.34 1d0q h GLU 7 Ca -0.50 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.07 1d0q h GLU 7 Cb 1.31 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1d0q h GLU 7 CO 0.53 0.79 -0.26 1.49 -1.16 0.00 0.00 179.01 180.40 1d0q h GLU 8 N 1.22 0.00 0.03 2.33 4.81 -1.99 -1.32 114.58 119.66 1d0q h GLU 8 Ca 0.35 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.32 1d0q h GLU 8 Cb -0.09 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.30 1d0q h GLU 8 CO -0.09 0.26 -1.04 1.15 -0.73 0.00 0.00 179.01 178.56 1d0q h THR 9 N 0.00 1.34 -0.64 0.32 2.02 -1.67 -1.69 112.91 112.59 1d0q h THR 9 Ca -0.00 -2.41 -0.08 0.00 0.77 0.00 0.00 66.41 64.69 1d0q h THR 9 Cb 0.52 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1d0q h THR 9 CO 0.03 0.73 0.09 0.40 0.37 0.00 0.00 175.52 177.15 1d0q h ILE 10 N 0.29 1.26 -0.11 3.11 2.04 -0.48 -1.28 117.51 122.34 1d0q h ILE 10 Ca -0.12 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 1d0q h ILE 10 Cb 1.70 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1d0q h ILE 10 CO 0.19 0.38 -0.25 -0.08 0.00 0.00 0.00 178.15 178.40 1d0q h GLU 11 N 0.97 0.19 -0.31 2.37 4.81 -1.19 -2.26 114.58 119.16 1d0q h GLU 11 Ca 0.19 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1d0q h GLU 11 Cb 0.45 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1d0q h GLU 11 CO 0.01 0.43 -0.28 0.00 -0.73 0.00 0.00 179.01 178.44 1d0q h ALA 12 N 1.58 0.92 0.32 2.92 0.00 -0.74 -2.19 119.26 122.06 1d0q h ALA 12 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1d0q h ALA 12 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1d0q h ALA 12 CO 0.04 0.62 -0.15 0.82 0.00 0.00 0.00 179.25 180.57 1d0q h ILE 13 N 0.55 0.70 -0.87 0.00 2.04 -0.92 -1.46 117.51 117.56 1d0q h ILE 13 Ca 0.07 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1d0q h ILE 13 Cb 0.77 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1d0q h ILE 13 CO 0.06 0.08 0.57 0.08 0.00 0.00 0.00 178.15 178.94 1d0q h ARG 14 N -0.64 1.10 -0.20 2.37 -0.00 -1.39 -1.70 114.38 113.91 1d0q h ARG 14 Ca -0.04 -0.07 -0.06 0.00 -0.00 0.00 0.00 59.98 59.81 1d0q h ARG 14 Cb 0.46 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.97 30.16 1d0q h ARG 14 CO 0.07 0.73 -0.15 -0.09 -0.00 0.00 0.00 179.97 180.53 1d0q h ARG 15 N 1.14 0.33 -0.00 0.08 2.43 -1.41 -3.04 114.38 113.91 1d0q h ARG 15 Ca 0.33 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1d0q h ARG 15 Cb -0.07 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1d0q h ARG 15 CO -0.09 0.48 -0.00 0.41 -1.51 0.00 0.00 179.97 179.26 1d0q n GLY 16 N -0.73 -1.06 3.27 2.80 0.00 -0.55 -4.81 105.19 104.10 1d0q n GLY 16 Ca -0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 1d0q n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d0q s VAL 17 N -2.20 1.45 -0.21 1.61 -7.23 -0.96 -3.67 120.40 109.20 1d0q s VAL 17 Ca 0.41 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1d0q s VAL 17 Cb 0.21 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 1d0q s VAL 17 CO 0.40 -0.40 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.10 1d0q s ASP 18 N -2.54 4.17 0.61 4.85 -1.08 -1.26 -4.92 116.67 116.49 1d0q s ASP 18 Ca 0.11 -0.41 0.34 0.00 -0.52 0.00 0.00 52.55 52.07 1d0q s ASP 18 Cb -0.05 -1.70 1.97 0.00 -1.46 0.00 0.00 42.92 41.68 1d0q s ASP 18 CO 0.04 0.00 2.28 -0.29 0.52 0.00 0.00 175.17 177.72 1d0q h ILE 19 N 5.69 0.38 -0.22 4.11 2.10 -1.93 -0.34 117.51 127.31 1d0q h ILE 19 Ca -0.40 -0.04 -0.03 0.00 1.08 0.00 0.00 64.86 65.47 1d0q h ILE 19 Cb 1.16 1.02 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1d0q h ILE 19 CO 0.60 0.01 0.02 0.58 -1.08 0.00 0.00 178.15 178.28 1d0q h VAL 20 N 0.00 1.24 -0.13 2.19 2.07 -1.94 -0.06 116.25 119.62 1d0q h VAL 20 Ca -0.00 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1d0q h VAL 20 Cb 0.02 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1d0q h VAL 20 CO 0.00 0.25 0.05 -0.78 0.02 0.00 0.00 177.57 177.11 1d0q h ASP 21 N 0.15 0.18 0.03 0.57 1.82 -1.73 0.13 116.42 117.57 1d0q h ASP 21 Ca 0.06 -0.17 0.02 0.00 -0.39 0.00 0.00 57.03 56.56 1d0q h ASP 21 Cb 0.35 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.28 1d0q h ASP 21 CO 0.01 0.30 -0.17 0.58 -1.61 0.00 0.00 179.24 178.34 1d0q h VAL 22 N 0.05 0.60 -0.11 2.25 2.07 -0.94 -3.11 116.25 117.05 1d0q h VAL 22 Ca 0.04 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1d0q h VAL 22 Cb 0.18 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1d0q h VAL 22 CO -0.00 0.00 -0.31 0.40 0.02 0.00 0.00 177.57 177.68 1d0q h ILE 23 N -0.29 1.26 0.00 4.57 2.04 -1.00 -2.80 117.51 121.29 1d0q h ILE 23 Ca 0.04 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1d0q h ILE 23 Cb 0.35 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1d0q h ILE 23 CO -0.14 0.37 0.00 0.61 0.00 0.00 0.00 178.15 178.99 1d0q n GLY 24 N -0.46 -0.53 0.03 5.37 0.00 0.45 -0.80 105.19 109.24 1d0q n GLY 24 Ca -0.01 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1d0q n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1d0q n GLU 25 N -1.48 0.19 0.00 1.61 1.02 -1.06 -4.19 120.64 116.74 1d0q n GLU 25 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1d0q n GLU 25 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1d0q n GLU 25 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1d0q n TYR 26 N -1.36 0.00 -4.53 -0.32 4.02 0.02 -5.09 117.16 109.90 1d0q n TYR 26 Ca 0.09 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.75 1d0q n TYR 26 Cb 0.32 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.48 1d0q n TYR 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1d0q s VAL 27 N -1.33 1.01 -0.30 -0.72 1.01 -0.07 -4.96 120.40 115.04 1d0q s VAL 27 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 1d0q s VAL 27 Cb 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.49 1d0q s VAL 27 CO 0.00 0.31 1.05 -1.58 0.00 0.00 0.00 175.10 174.88 1d0q s GLN 28 N 0.35 4.11 0.05 2.72 0.74 -1.26 -4.17 119.66 122.19 1d0q s GLN 28 Ca -0.07 1.11 0.03 0.00 0.05 0.00 0.00 55.36 56.49 1d0q s GLN 28 Cb -0.12 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.24 1d0q s GLN 28 CO 0.02 -0.82 0.00 -0.51 -0.55 0.00 0.00 175.29 173.43 1d0q s LEU 29 N 3.51 3.49 -0.04 3.68 1.43 -1.26 -4.41 118.68 125.06 1d0q s LEU 29 Ca 0.44 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1d0q s LEU 29 Cb -0.13 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.98 1d0q s LEU 29 CO 0.13 0.22 -0.05 -1.59 0.23 0.00 0.00 176.35 175.29 1d0q s LYS 30 N -2.00 0.89 0.27 1.70 -2.85 -0.25 -4.92 119.74 112.59 1d0q s LYS 30 Ca 0.23 -0.13 -0.30 0.00 -1.00 0.00 0.00 55.97 54.77 1d0q s LYS 30 Cb -0.12 -0.87 -0.11 0.00 -2.06 0.00 0.00 37.83 34.68 1d0q s LYS 30 CO 0.15 -0.07 1.49 0.50 0.10 0.00 0.00 175.35 177.52 1d0q s ARG 31 N 0.86 4.22 -0.29 1.78 6.06 -1.26 -1.80 118.95 128.52 1d0q s ARG 31 Ca -0.12 2.40 -0.02 0.00 -2.50 0.00 0.00 55.73 55.49 1d0q s ARG 31 Cb -0.14 -3.07 0.10 0.00 0.06 0.00 0.00 34.95 31.89 1d0q s ARG 31 CO 0.01 -0.48 0.11 -1.14 -2.50 0.00 0.00 175.30 171.29 1d0q s GLN 32 N -0.53 0.47 7.08 5.12 0.74 0.57 -4.95 119.66 128.17 1d0q s GLN 32 Ca 0.60 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 55.21 1d0q s GLN 32 Cb -0.44 -1.63 0.00 0.00 1.10 0.00 0.00 33.01 32.04 1d0q s GLN 32 CO 0.46 -0.98 0.00 0.41 -0.55 0.00 0.00 175.29 174.63 1d0q n GLY 33 N 5.04 2.78 1.23 2.59 0.00 -1.26 -2.17 105.19 113.39 1d0q n GLY 33 Ca -0.04 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1d0q n GLY 33 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1d0q n ARG 34 N 7.32 2.56 -4.51 1.61 1.85 -1.26 -4.97 116.66 119.27 1d0q n ARG 34 Ca 0.00 -2.41 -0.24 0.00 -1.00 0.00 0.00 57.85 54.21 1d0q n ARG 34 Cb 0.00 -1.53 -0.11 0.00 -1.05 0.00 0.00 32.46 29.77 1d0q n ARG 34 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1d0q s ASN 35 N -1.19 3.02 -0.01 2.89 0.01 -0.92 -4.30 114.94 114.43 1d0q s ASN 35 Ca 0.44 -1.33 0.07 0.00 -0.71 0.00 0.00 52.86 51.33 1d0q s ASN 35 Cb 0.24 -0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.65 1d0q s ASN 35 CO 0.32 -0.49 -0.23 -0.31 -1.51 0.00 0.00 177.10 174.89 1d0q s TYR 36 N -3.01 2.44 0.12 2.20 1.51 0.07 -0.31 117.35 120.36 1d0q s TYR 36 Ca 0.35 -0.35 0.07 0.00 -1.01 0.00 0.00 57.07 56.12 1d0q s TYR 36 Cb 0.08 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 1d0q s TYR 36 CO 0.16 0.06 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.44 1d0q s PHE 37 N -0.69 1.55 0.04 2.71 0.40 -0.74 0.16 117.98 121.40 1d0q s PHE 37 Ca 0.11 -0.49 -0.10 0.00 -0.60 0.00 0.00 56.93 55.85 1d0q s PHE 37 Cb -0.10 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.64 1d0q s PHE 37 CO 0.00 0.19 0.46 0.41 0.70 0.00 0.00 175.22 176.98 1d0q n GLY 38 N 0.71 0.81 3.78 4.36 0.00 -0.46 -1.09 105.19 113.31 1d0q n GLY 38 Ca -0.17 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1d0q n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d0q s LEU 39 N 0.00 4.31 -0.02 0.99 1.43 -1.26 -1.96 118.68 122.18 1d0q s LEU 39 Ca 0.10 1.93 -0.30 0.00 -1.03 0.00 0.00 54.13 54.83 1d0q s LEU 39 Cb -0.01 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 1d0q s LEU 39 CO 0.01 -0.18 1.34 0.00 0.23 0.00 0.00 176.35 177.75 1d0q n PRO 41 N 5.29 1.21 -0.08 0.00 -0.04 -1.26 -4.06 135.00 136.07 1d0q n PRO 41 Ca 0.12 -0.51 -0.13 0.00 -0.04 0.00 0.00 63.50 62.94 1d0q n PRO 41 Cb 0.44 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 1d0q n PRO 41 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1d0q n PHE 42 N -0.45 0.35 -4.05 0.54 3.72 -1.26 -5.00 117.46 111.31 1d0q n PHE 42 Ca 0.19 0.10 -0.12 0.00 -0.05 0.00 0.00 57.45 57.57 1d0q n PHE 42 Cb 0.27 -1.06 -0.11 0.00 -0.94 0.00 0.00 39.48 37.64 1d0q n PHE 42 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 1d0q s HIS 43 N -2.53 0.61 -0.35 1.38 -3.43 -1.26 -5.13 115.29 104.58 1d0q s HIS 43 Ca -0.17 -0.52 -0.22 0.00 -0.80 0.00 0.00 55.06 53.36 1d0q s HIS 43 Cb 0.07 -0.37 0.00 0.00 -1.43 0.00 0.00 32.58 30.86 1d0q s HIS 43 CO 0.76 -0.10 0.70 0.20 -2.00 0.00 0.00 174.74 174.29 1d0q s GLY 44 N -1.60 1.72 -0.22 -1.38 0.00 -1.26 -4.69 107.32 99.89 1d0q s GLY 44 Ca -0.10 -0.73 -0.21 0.00 0.00 0.00 0.00 44.72 43.67 1d0q s GLY 44 CO -0.00 1.60 0.61 1.85 0.00 0.00 0.00 173.10 177.16 1d0q s GLU 45 N 2.85 0.72 0.26 2.90 2.12 -1.26 -5.07 118.70 121.21 1d0q s GLU 45 Ca 0.27 0.82 0.02 0.00 0.36 0.00 0.00 54.97 56.44 1d0q s GLU 45 Cb -0.14 0.35 0.32 0.00 0.26 0.00 0.00 34.13 34.93 1d0q s GLU 45 CO 0.15 -0.09 1.65 -0.22 -0.54 0.00 0.00 175.26 176.20 1d0q h LYS 46 N 5.10 0.43 -6.20 4.30 3.64 -2.00 -3.45 116.57 118.40 1d0q h LYS 46 Ca -0.28 -0.21 -0.58 0.00 -1.27 0.00 0.00 60.65 58.31 1d0q h LYS 46 Cb 1.17 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1d0q h LYS 46 CO 0.13 0.76 -0.22 0.95 -2.27 0.00 0.00 179.45 178.80 1d0q s THR 47 N -4.24 5.05 0.18 1.00 -4.23 -1.26 -5.05 115.64 107.09 1d0q s THR 47 Ca -0.06 0.42 -0.31 0.00 -1.18 0.00 0.00 61.69 60.56 1d0q s THR 47 Cb 0.13 -3.65 -0.10 0.00 1.34 0.00 0.00 72.50 70.22 1d0q s THR 47 CO 0.80 0.18 1.56 -2.16 -0.54 0.00 0.00 174.62 174.46 1d0q s PRO 48 N -2.20 4.21 0.00 3.99 0.04 -1.26 -4.77 135.00 135.02 1d0q s PRO 48 Ca 0.37 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1d0q s PRO 48 Cb -0.13 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1d0q s PRO 48 CO 0.20 -0.60 0.24 -1.13 0.04 0.00 0.00 177.00 175.75 1d0q n SER 49 N 3.78 0.00 -4.56 6.66 3.41 -1.11 -4.97 113.62 116.82 1d0q n SER 49 Ca 0.13 -1.00 -0.34 0.00 -0.26 0.00 0.00 58.87 57.40 1d0q n SER 49 Cb 0.38 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.22 1d0q n SER 49 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1d0q s PHE 50 N 0.00 3.10 0.09 7.33 2.19 -0.83 -2.20 117.98 127.66 1d0q s PHE 50 Ca 0.00 -0.13 0.07 0.00 0.33 0.00 0.00 56.93 57.20 1d0q s PHE 50 Cb 0.00 -1.96 -0.03 0.00 -1.31 0.00 0.00 43.02 39.72 1d0q s PHE 50 CO 0.00 0.09 -0.17 0.45 1.83 0.00 0.00 175.22 177.42 1d0q s SER 51 N 0.16 2.07 -0.06 6.13 0.15 0.34 -1.35 113.70 121.14 1d0q s SER 51 Ca 0.00 -0.67 0.02 0.00 0.70 0.00 0.00 55.95 56.00 1d0q s SER 51 Cb -0.13 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1d0q s SER 51 CO 0.02 -0.03 -0.11 -0.69 1.20 0.00 0.00 173.24 173.64 1d0q s VAL 52 N -1.33 1.01 -0.31 4.45 1.01 0.12 -0.84 120.40 124.51 1d0q s VAL 52 Ca 0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 1d0q s VAL 52 Cb -0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1d0q s VAL 52 CO 0.03 0.33 0.19 -0.55 0.00 0.00 0.00 175.10 175.10 1d0q s SER 53 N 0.74 5.81 0.14 3.32 0.15 -0.34 -0.75 113.70 122.77 1d0q s SER 53 Ca -0.13 -0.38 -0.14 0.00 0.70 0.00 0.00 55.95 56.00 1d0q s SER 53 Cb -0.15 -2.07 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 1d0q s SER 53 CO 0.03 -0.18 1.66 -0.65 1.20 0.00 0.00 173.24 175.30 1d0q h PRO 54 N 8.40 0.71 -0.20 5.44 0.11 -1.87 -0.41 132.00 144.18 1d0q h PRO 54 Ca -0.33 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1d0q h PRO 54 Cb 1.16 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1d0q h PRO 54 CO 0.61 0.69 0.03 1.49 -0.21 0.00 0.00 178.00 180.61 1d0q h GLU 55 N 0.59 0.34 0.00 1.05 4.81 -1.94 -3.24 114.58 116.20 1d0q h GLU 55 Ca 0.15 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1d0q h GLU 55 Cb 0.28 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1d0q h GLU 55 CO -0.00 0.49 -0.38 1.63 -0.73 0.00 0.00 179.01 180.01 1d0q n LYS 56 N -4.74 0.16 -3.44 1.92 5.02 -1.20 -4.97 118.16 110.90 1d0q n LYS 56 Ca -0.04 0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 1d0q n LYS 56 Cb 0.19 -1.63 0.08 0.00 -0.02 0.00 0.00 35.03 33.66 1d0q n LYS 56 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1d0q n GLN 57 N -1.87 -5.98 -4.11 1.97 1.13 -0.17 -5.02 117.38 103.33 1d0q n GLN 57 Ca 0.05 0.82 -0.11 0.00 -1.94 0.00 0.00 57.00 55.83 1d0q n GLN 57 Cb 0.39 -5.78 -0.09 0.00 0.11 0.00 0.00 30.24 24.88 1d0q n GLN 57 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1d0q s ILE 58 N -3.40 0.04 0.31 5.09 -4.36 -1.21 -4.46 121.20 113.20 1d0q s ILE 58 Ca 0.05 -1.78 0.03 0.00 -0.26 0.00 0.00 60.65 58.69 1d0q s ILE 58 Cb -0.01 -2.22 -0.06 0.00 1.25 0.00 0.00 42.46 41.43 1d0q s ILE 58 CO 0.74 -0.18 0.08 0.72 0.24 0.00 0.00 174.94 176.54 1d0q s PHE 59 N -4.07 1.81 -0.17 1.37 -0.12 0.27 -1.19 117.98 115.87 1d0q s PHE 59 Ca 0.29 -1.07 -0.28 0.00 -0.05 0.00 0.00 56.93 55.82 1d0q s PHE 59 Cb 0.05 -1.15 0.08 0.00 -0.63 0.00 0.00 43.02 41.37 1d0q s PHE 59 CO 0.07 -0.14 0.73 -1.58 -0.05 0.00 0.00 175.22 174.25 1d0q s HIS 60 N -3.44 -0.70 -0.14 3.49 2.46 -0.02 -2.34 115.29 114.60 1d0q s HIS 60 Ca 0.36 1.50 0.01 0.00 0.47 0.00 0.00 55.06 57.40 1d0q s HIS 60 Cb 0.08 0.34 0.02 0.00 -0.13 0.00 0.00 32.58 32.89 1d0q s HIS 60 CO 0.15 -0.47 -0.16 0.00 -2.47 0.00 0.00 174.74 171.79 1d0q n PHE 62 N 4.45 0.15 1.18 0.00 1.16 -0.94 -0.94 117.46 122.53 1d0q n PHE 62 Ca -0.19 0.04 0.13 0.00 -1.87 0.00 0.00 57.45 55.57 1d0q n PHE 62 Cb 0.51 -0.48 0.46 0.00 -1.61 0.00 0.00 39.48 38.35 1d0q n PHE 62 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1d0q n GLY 63 N 1.46 -1.06 0.00 4.97 0.00 -1.26 -4.53 105.19 104.77 1d0q n GLY 63 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1d0q n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d0q n GLY 65 N 0.00 2.58 3.62 0.00 0.00 -0.11 -5.01 105.19 106.26 1d0q n GLY 65 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1d0q n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d0q n ALA 66 N -0.22 -0.00 0.00 4.61 0.00 -1.25 -4.71 120.51 118.93 1d0q n ALA 66 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1d0q n ALA 66 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.33 1d0q n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d0q n GLY 67 N 1.19 -0.89 0.00 0.00 0.00 -1.26 -0.94 105.19 103.29 1d0q n GLY 67 Ca 0.14 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1d0q n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d0q n GLY 68 N -0.45 0.32 0.18 -0.02 0.00 -0.99 -4.77 105.19 99.47 1d0q n GLY 68 Ca 0.00 -2.12 -0.01 0.00 0.00 0.00 0.00 46.02 43.89 1d0q n GLY 68 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1d0q n ASN 69 N 0.00 0.07 0.24 1.61 0.23 -1.26 -0.56 115.26 115.59 1d0q n ASN 69 Ca 0.00 -1.05 0.10 0.00 -0.53 0.00 0.00 54.58 53.09 1d0q n ASN 69 Cb 0.00 -0.03 0.63 0.00 -2.08 0.00 0.00 39.78 38.30 1d0q n ASN 69 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1d0q h ALA 70 N -0.34 1.41 -0.09 -2.53 0.00 -1.96 -0.84 119.26 114.90 1d0q h ALA 70 Ca -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1d0q h ALA 70 Cb 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1d0q h ALA 70 CO 0.02 0.20 -0.15 0.74 0.00 0.00 0.00 179.25 180.06 1d0q h PHE 71 N 0.00 0.33 -0.01 0.00 -1.00 -1.96 -1.74 116.94 112.55 1d0q h PHE 71 Ca -0.00 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.66 1d0q h PHE 71 Cb 0.36 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 1d0q h PHE 71 CO 0.00 0.74 0.01 1.15 -1.61 0.00 0.00 178.31 178.60 1d0q h THR 72 N -0.17 1.04 0.11 -1.55 2.02 -1.85 -1.16 112.91 111.35 1d0q h THR 72 Ca 0.01 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1d0q h THR 72 Cb 0.71 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1d0q h THR 72 CO 0.03 0.03 -0.23 0.15 0.37 0.00 0.00 175.52 175.87 1d0q h PHE 73 N -0.02 -0.61 -0.66 3.16 3.04 -1.10 -1.96 116.94 118.79 1d0q h PHE 73 Ca 0.00 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 1d0q h PHE 73 Cb 0.04 0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.78 1d0q h PHE 73 CO -0.06 -0.33 0.24 -0.07 -2.02 0.00 0.00 178.31 176.07 1d0q h LEU 74 N -0.43 0.93 -0.68 0.59 3.38 -1.13 -0.80 115.31 117.18 1d0q h LEU 74 Ca 0.03 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1d0q h LEU 74 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1d0q h LEU 74 CO -0.13 0.87 0.28 0.24 0.09 0.00 0.00 178.44 179.78 1d0q h MET 75 N 0.94 1.01 0.03 1.13 2.86 -1.14 -1.46 114.93 118.31 1d0q h MET 75 Ca 0.22 -0.18 -0.23 0.00 -2.06 0.00 0.00 59.70 57.44 1d0q h MET 75 Cb 0.24 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1d0q h MET 75 CO -0.01 0.84 -1.01 -0.44 1.06 0.00 0.00 176.91 177.35 1d0q h ASP 76 N 0.96 0.49 -0.14 1.22 3.32 -1.30 0.99 116.42 121.95 1d0q h ASP 76 Ca 0.23 -0.42 -0.17 0.00 0.02 0.00 0.00 57.03 56.69 1d0q h ASP 76 Cb 0.20 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1d0q h ASP 76 CO -0.02 1.24 -0.54 -0.29 -1.72 0.00 0.00 179.24 177.91 1d0q h ILE 77 N 0.18 1.30 -0.01 0.35 6.09 -0.95 -3.28 117.51 121.19 1d0q h ILE 77 Ca -0.09 -1.75 0.00 0.00 -1.37 0.00 0.00 64.86 61.65 1d0q h ILE 77 Cb 1.66 1.68 0.00 0.00 0.47 0.00 0.00 36.82 40.63 1d0q h ILE 77 CO 0.17 0.56 -0.51 -0.62 -3.07 0.00 0.00 178.15 174.68 1d0q n GLU 78 N -3.99 1.51 -3.26 2.19 1.02 -0.57 -5.01 120.64 112.54 1d0q n GLU 78 Ca -0.04 -0.59 -0.17 0.00 -0.02 0.00 0.00 57.16 56.35 1d0q n GLU 78 Cb 0.61 -1.32 0.06 0.00 -0.02 0.00 0.00 31.44 30.77 1d0q n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d0q n GLY 79 N 1.28 -0.13 3.64 0.62 0.00 0.32 -5.03 105.19 105.88 1d0q n GLY 79 Ca 0.06 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1d0q n GLY 79 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d0q s ILE 80 N -3.24 3.63 0.79 -0.61 -4.36 -1.06 -5.04 121.20 111.31 1d0q s ILE 80 Ca 0.37 -1.36 -0.12 0.00 -0.26 0.00 0.00 60.65 59.29 1d0q s ILE 80 Cb -0.16 -2.78 0.06 0.00 1.25 0.00 0.00 42.46 40.83 1d0q s ILE 80 CO 0.53 -0.03 1.13 -2.16 0.24 0.00 0.00 174.94 174.65 1d0q s PRO 81 N -2.69 2.16 0.27 0.37 0.04 -1.26 -4.54 135.00 129.36 1d0q s PRO 81 Ca 0.26 0.34 -0.00 0.00 0.04 0.00 0.00 61.00 61.64 1d0q s PRO 81 Cb -0.10 -1.95 0.51 0.00 0.04 0.00 0.00 34.50 33.00 1d0q s PRO 81 CO 0.17 -1.50 1.83 0.35 0.04 0.00 0.00 177.00 177.89 1d0q h PHE 82 N -0.99 1.09 -0.81 0.56 3.04 -1.98 -2.32 116.94 115.53 1d0q h PHE 82 Ca -0.46 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.51 1d0q h PHE 82 Cb 1.29 -0.34 -0.04 0.00 2.56 0.00 0.00 35.95 39.42 1d0q h PHE 82 CO 0.40 0.44 0.48 -0.24 -2.02 0.00 0.00 178.31 177.36 1d0q h VAL 83 N 0.96 1.23 -0.34 1.41 3.04 -1.93 0.38 116.25 121.00 1d0q h VAL 83 Ca 0.47 -0.52 -0.08 0.00 -1.01 0.00 0.00 66.70 65.57 1d0q h VAL 83 Cb 0.44 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1d0q h VAL 83 CO -0.26 0.24 -0.11 -0.33 -1.01 0.00 0.00 177.57 176.11 1d0q h GLU 84 N 1.11 0.67 -0.45 4.17 4.39 -1.82 0.16 114.58 122.81 1d0q h GLU 84 Ca 0.29 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1d0q h GLU 84 Cb -0.03 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1d0q h GLU 84 CO -0.05 0.85 0.29 0.00 -1.16 0.00 0.00 179.01 178.94 1d0q h ALA 85 N 0.80 0.57 -0.88 3.43 0.00 -0.87 -0.82 119.26 121.49 1d0q h ALA 85 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1d0q h ALA 85 Cb 0.62 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1d0q h ALA 85 CO 0.04 0.02 0.57 0.00 0.00 0.00 0.00 179.25 179.88 1d0q h ALA 86 N 1.16 1.12 -0.68 0.00 0.00 -0.07 -0.70 119.26 120.09 1d0q h ALA 86 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1d0q h ALA 86 Cb -0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1d0q h ALA 86 CO -0.03 0.55 0.25 1.57 0.00 0.00 0.00 179.25 181.59 1d0q h LYS 87 N 1.21 1.02 -0.21 0.00 5.09 -0.57 0.18 116.57 123.28 1d0q h LYS 87 Ca 0.32 -0.18 -0.06 0.00 0.09 0.00 0.00 60.65 60.82 1d0q h LYS 87 Cb -0.10 -0.17 -0.01 0.00 0.10 0.00 0.00 32.23 32.06 1d0q h LYS 87 CO -0.07 0.85 -0.10 0.00 -2.09 0.00 0.00 179.45 178.04 1d0q h ARG 88 N 0.99 0.44 -0.22 0.07 3.08 -0.58 -1.97 114.38 116.19 1d0q h ARG 88 Ca 0.23 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1d0q h ARG 88 Cb 0.23 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1d0q h ARG 88 CO -0.02 0.72 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.37 1d0q h LEU 89 N 0.14 0.37 -0.72 3.04 4.07 -1.03 -2.58 115.31 118.60 1d0q h LEU 89 Ca 0.05 -0.10 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 1d0q h LEU 89 Cb 0.59 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1d0q h LEU 89 CO 0.03 0.56 -0.00 0.00 -1.08 0.00 0.00 178.44 177.95 1d0q h ALA 90 N 1.47 0.92 -0.87 1.53 0.00 -0.57 -0.16 119.26 121.58 1d0q h ALA 90 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1d0q h ALA 90 Cb 0.51 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1d0q h ALA 90 CO 0.03 0.64 0.47 0.00 0.00 0.00 0.00 179.25 180.39 1d0q h ALA 91 N 1.09 1.17 -0.18 0.00 0.00 -0.97 -0.68 119.26 119.69 1d0q h ALA 91 Ca 0.16 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1d0q h ALA 91 Cb 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1d0q h ALA 91 CO 0.03 0.66 -0.57 0.87 0.00 0.00 0.00 179.25 180.24 1d0q h LYS 92 N 1.23 0.54 0.00 0.00 1.57 -1.19 -3.05 116.57 115.67 1d0q h LYS 92 Ca 0.31 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1d0q h LYS 92 Cb 0.05 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1d0q h LYS 92 CO -0.05 0.96 0.00 0.00 -0.57 0.00 0.00 179.45 179.79 1d0q n ALA 93 N -2.52 1.78 -1.15 3.86 0.00 -0.11 -4.84 120.51 117.54 1d0q n ALA 93 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1d0q n ALA 93 Cb 0.61 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1d0q n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d0q n GLY 94 N 0.26 0.38 3.54 0.00 0.00 -0.38 -4.78 105.19 104.22 1d0q n GLY 94 Ca 0.03 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 1d0q n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d0q s VAL 95 N -2.00 4.71 -0.14 1.61 1.01 -0.50 -5.05 120.40 120.04 1d0q s VAL 95 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 1d0q s VAL 95 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1d0q s VAL 95 CO 0.00 0.36 0.85 -0.62 0.00 0.00 0.00 175.10 175.69 1d0q s ASP 96 N 1.25 7.02 0.00 3.32 -1.08 -1.26 -4.42 116.67 121.50 1d0q s ASP 96 Ca 0.05 1.25 0.12 0.00 -0.52 0.00 0.00 52.55 53.45 1d0q s ASP 96 Cb -0.14 -2.47 0.24 0.00 -1.46 0.00 0.00 42.92 39.09 1d0q s ASP 96 CO 0.04 -0.37 1.12 0.18 0.52 0.00 0.00 175.17 176.67 1d0q n LEU 97 N 4.99 2.62 0.22 -1.34 4.77 -1.26 -4.60 117.00 122.40 1d0q n LEU 97 Ca 0.05 -1.60 0.07 0.00 -0.03 0.00 0.00 56.01 54.49 1d0q n LEU 97 Cb 0.49 -0.15 0.52 0.00 -2.33 0.00 0.00 43.42 41.95 1d0q n LEU 97 CO 0.49 0.61 0.87 0.77 -1.33 0.00 0.00 177.39 178.79 1d0q h SER 98 N 2.29 0.00 0.82 -1.43 4.64 -2.02 -2.08 113.55 115.77 1d0q h SER 98 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d0q h SER 98 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1d0q h SER 98 CO 0.00 0.22 0.00 1.33 -0.87 0.00 0.00 176.83 177.51 1d0q n VAL 99 N -4.03 0.79 1.19 0.95 0.24 -1.26 -2.53 118.33 113.67 1d0q n VAL 99 Ca -0.02 0.15 0.13 0.00 -2.04 0.00 0.00 64.34 62.56 1d0q n VAL 99 Cb 0.29 -1.04 0.34 0.00 -1.47 0.00 0.00 33.84 31.97 1d0q n VAL 99 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1d0q n TYR 100 N -2.14 0.00 -3.64 6.34 4.01 -0.78 -5.00 117.16 115.95 1d0q n TYR 100 Ca 0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 1d0q n TYR 100 Cb 0.26 -0.14 0.04 0.00 -0.31 0.00 0.00 39.34 39.19 1d0q n TYR 100 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1d0q n GLU 101 N -0.80 -1.95 0.00 -0.72 1.02 -1.05 -4.97 120.64 112.16 1d0q n GLU 101 Ca 0.11 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1d0q n GLU 101 Cb 0.35 -4.54 0.00 0.00 -0.02 0.00 0.00 31.44 27.23 1d0q n GLU 101 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1d0q n LEU 102 N -4.06 0.00 0.00 -4.62 4.77 -1.26 -5.15 117.00 106.67 1d0q n LEU 102 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1d0q n LEU 102 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1d0q n LEU 102 CO 0.67 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.20