#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0q s VAL 4 N 0.00 1.80 -0.09 0.00 -7.23 -1.26 -5.02 120.40 108.60 1j0q s VAL 4 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1j0q s VAL 4 Cb 0.00 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.73 1j0q s VAL 4 CO 0.00 0.00 -0.09 1.17 -0.31 0.00 0.00 175.10 175.87 1j0q n LYS 5 N -5.01 0.23 -3.30 4.82 4.81 -1.26 -5.07 118.16 113.39 1j0q n LYS 5 Ca 0.06 0.06 -0.28 0.00 -0.87 0.00 0.00 58.31 57.27 1j0q n LYS 5 Cb 0.56 -1.16 0.02 0.00 0.02 0.00 0.00 35.03 34.47 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1j0q n TYR 6 N -2.83 -2.02 -1.42 5.64 4.01 -1.26 -4.90 117.16 114.39 1j0q n TYR 6 Ca -0.17 0.84 -0.49 0.00 -0.16 0.00 0.00 57.90 57.92 1j0q n TYR 6 Cb 0.67 -1.78 -0.03 0.00 -0.31 0.00 0.00 39.34 37.89 1j0q n TYR 6 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1j0q n TYR 7 N -1.01 -0.29 -3.12 -0.72 4.01 -0.74 -4.54 117.16 110.76 1j0q n TYR 7 Ca -0.15 0.96 -0.30 0.00 -0.16 0.00 0.00 57.90 58.25 1j0q n TYR 7 Cb 0.58 -1.99 -0.03 0.00 -0.31 0.00 0.00 39.34 37.59 1j0q n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1j0q s THR 8 N -0.91 4.90 0.32 -0.72 -4.23 -1.26 -0.16 115.64 113.58 1j0q s THR 8 Ca 0.66 0.35 0.09 0.00 -1.18 0.00 0.00 61.69 61.61 1j0q s THR 8 Cb -0.95 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 69.49 1j0q s THR 8 CO 0.56 -0.40 1.75 0.25 -0.54 0.00 0.00 174.62 176.24 1j0q h LEU 9 N 1.54 0.69 -0.82 4.79 6.46 -1.93 0.10 115.31 126.14 1j0q h LEU 9 Ca -0.47 0.12 0.08 0.00 -0.12 0.00 0.00 57.88 57.49 1j0q h LEU 9 Cb 1.19 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 41.01 1j0q h LEU 9 CO 0.65 0.16 -0.56 -0.08 -0.62 0.00 0.00 178.44 177.99 1j0q h GLU 10 N 0.63 -0.11 -0.03 1.25 4.57 -2.00 0.93 114.58 119.82 1j0q h GLU 10 Ca 0.62 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.80 1j0q h GLU 10 Cb 1.14 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1j0q h GLU 10 CO -0.43 -0.07 0.00 0.93 -1.18 0.00 0.00 179.01 178.26 1j0q h GLU 11 N -0.11 0.05 -0.60 1.92 4.39 -1.35 -3.11 114.58 115.76 1j0q h GLU 11 Ca 0.15 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.88 1j0q h GLU 11 Cb 0.48 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 1j0q h GLU 11 CO -0.84 0.30 0.34 0.82 -1.16 0.00 0.00 179.01 178.47 1j0q h ILE 12 N -0.21 1.01 -0.18 3.13 2.04 0.14 0.43 117.51 123.87 1j0q h ILE 12 Ca 0.01 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1j0q h ILE 12 Cb 0.27 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1j0q h ILE 12 CO 0.00 0.12 0.11 1.56 0.00 0.00 0.00 178.15 179.94 1j0q h GLN 13 N 0.66 0.24 -0.96 2.37 4.20 -0.94 -1.95 115.11 118.73 1j0q h GLN 13 Ca 0.25 -0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.14 1j0q h GLN 13 Cb 0.10 -0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.72 1j0q h GLN 13 CO -0.14 0.21 0.54 -0.22 -0.67 0.00 0.00 178.83 178.55 1j0q h LYS 14 N 0.21 0.62 -4.66 1.46 1.63 -1.18 -3.18 116.57 111.47 1j0q h LYS 14 Ca 0.06 -0.04 -0.64 0.00 -0.85 0.00 0.00 60.65 59.19 1j0q h LYS 14 Cb 0.03 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1j0q h LYS 14 CO -0.01 0.41 2.43 0.72 -3.45 0.00 0.00 179.45 179.55 1j0q n HIS 15 N -4.86 3.04 -2.03 1.91 8.25 0.03 -4.19 115.22 117.37 1j0q n HIS 15 Ca 0.23 -2.36 0.00 0.00 -0.26 0.00 0.00 57.72 55.34 1j0q n HIS 15 Cb 0.60 -2.29 0.00 0.00 1.12 0.00 0.00 29.99 29.42 1j0q n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1j0q n ASN 16 N 8.04 0.06 0.00 0.41 0.23 -1.20 -0.60 115.26 122.20 1j0q n ASN 16 Ca 0.50 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.56 1j0q n ASN 16 Cb 0.42 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1j0q n ASN 16 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1j0q n ASN 17 N 0.03 0.00 -0.34 0.53 0.23 -1.26 -4.85 115.26 109.60 1j0q n ASN 17 Ca 0.00 0.00 0.33 0.00 -0.53 0.00 0.00 54.58 54.39 1j0q n ASN 17 Cb 0.72 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 39.12 1j0q n ASN 17 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1j0q h SER 18 N 0.00 0.10 -0.96 0.53 0.02 -1.99 0.37 113.55 111.63 1j0q h SER 18 Ca 0.00 0.02 0.28 0.00 -0.84 0.00 0.00 61.79 61.26 1j0q h SER 18 Cb 0.00 0.01 -0.17 0.00 0.14 0.00 0.00 62.40 62.38 1j0q h SER 18 CO 0.00 0.01 0.16 0.50 -1.14 0.00 0.00 176.83 176.36 1j0q h LYS 19 N 0.09 0.06 0.00 3.45 1.63 -1.96 -3.46 116.57 116.37 1j0q h LYS 19 Ca 0.59 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.39 1j0q h LYS 19 Cb 2.17 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.78 1j0q h LYS 19 CO -0.08 0.04 0.00 0.43 -3.45 0.00 0.00 179.45 176.38 1j0q n SER 20 N -5.38 0.00 -4.64 4.20 7.64 0.13 -5.00 113.62 110.57 1j0q n SER 20 Ca 0.25 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.70 1j0q n SER 20 Cb 0.82 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.00 1j0q n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1j0q s THR 21 N -0.08 4.23 0.21 0.44 2.01 -1.19 -3.80 115.64 117.46 1j0q s THR 21 Ca 0.00 1.41 0.06 0.00 0.31 0.00 0.00 61.69 63.48 1j0q s THR 21 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1j0q s THR 21 CO 0.00 -0.43 0.13 0.26 -0.69 0.00 0.00 174.62 173.90 1j0q s TRP 22 N 4.11 3.07 0.20 4.92 0.52 0.23 -1.18 118.94 130.80 1j0q s TRP 22 Ca 0.54 -0.08 -0.08 0.00 0.02 0.00 0.00 56.10 56.49 1j0q s TRP 22 Cb -0.16 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.71 1j0q s TRP 22 CO 0.20 0.53 0.30 -0.48 0.02 0.00 0.00 176.95 177.53 1j0q s LEU 23 N -3.42 0.83 -0.22 2.99 0.05 -0.16 -0.25 118.68 118.49 1j0q s LEU 23 Ca 0.31 -1.00 -0.03 0.00 0.05 0.00 0.00 54.13 53.46 1j0q s LEU 23 Cb -0.09 1.17 0.00 0.00 -2.05 0.00 0.00 46.19 45.23 1j0q s LEU 23 CO 0.23 -0.95 -0.06 -0.63 -0.55 0.00 0.00 176.35 174.40 1j0q s ILE 24 N -4.02 3.20 -0.44 1.48 1.01 -0.61 -0.58 121.20 121.23 1j0q s ILE 24 Ca 0.23 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1j0q s ILE 24 Cb 0.03 -2.48 0.13 0.00 0.01 0.00 0.00 42.46 40.15 1j0q s ILE 24 CO 0.05 0.39 0.21 -0.76 0.00 0.00 0.00 174.94 174.83 1j0q s LEU 25 N 1.44 3.34 -0.51 2.97 1.02 -0.97 -0.89 118.68 125.08 1j0q s LEU 25 Ca 0.05 -2.60 -0.00 0.00 0.02 0.00 0.00 54.13 51.60 1j0q s LEU 25 Cb -0.15 -1.26 -0.00 0.00 0.02 0.00 0.00 46.19 44.80 1j0q s LEU 25 CO -0.04 -0.28 0.42 1.41 0.02 0.00 0.00 176.35 177.88 1j0q n HIS 26 N 3.62 -0.93 0.00 0.29 8.25 -1.26 -4.02 115.22 121.16 1j0q n HIS 26 Ca 0.06 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1j0q n HIS 26 Cb 0.35 -3.31 0.00 0.00 1.12 0.00 0.00 29.99 28.15 1j0q n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1j0q n TYR 27 N -2.33 0.00 -1.17 4.41 4.02 -1.26 -4.93 117.16 115.90 1j0q n TYR 27 Ca -0.12 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.43 1j0q n TYR 27 Cb 0.57 -0.04 0.12 0.00 -0.02 0.00 0.00 39.34 39.98 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1j0q s LYS 28 N 0.00 1.70 -0.06 -0.72 -0.14 -1.26 -0.44 119.74 118.83 1j0q s LYS 28 Ca 0.00 1.81 0.04 0.00 -1.36 0.00 0.00 55.97 56.46 1j0q s LYS 28 Cb 0.00 -1.78 -0.02 0.00 -1.68 0.00 0.00 37.83 34.35 1j0q s LYS 28 CO 0.00 -2.18 -0.18 0.08 -0.76 0.00 0.00 175.35 172.31 1j0q s VAL 29 N -2.05 2.69 -0.21 3.17 1.01 -0.06 -2.28 120.40 122.67 1j0q s VAL 29 Ca 0.74 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1j0q s VAL 29 Cb -0.30 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.11 1j0q s VAL 29 CO 0.50 0.58 -0.02 -0.31 0.00 0.00 0.00 175.10 175.84 1j0q s TYR 30 N -0.46 1.82 -0.05 5.22 1.51 0.25 -1.14 117.35 124.51 1j0q s TYR 30 Ca 0.05 -1.35 -0.23 0.00 -1.01 0.00 0.00 57.07 54.53 1j0q s TYR 30 Cb -0.12 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1j0q s TYR 30 CO 0.01 -0.70 0.68 0.34 -1.11 0.00 0.00 175.55 174.78 1j0q s ASP 31 N 1.59 6.99 -0.08 2.29 -1.08 -0.11 -0.99 116.67 125.28 1j0q s ASP 31 Ca -0.03 1.19 -0.11 0.00 -0.52 0.00 0.00 52.55 53.08 1j0q s ASP 31 Cb -0.18 -2.40 -0.04 0.00 -1.46 0.00 0.00 42.92 38.84 1j0q s ASP 31 CO -0.07 -0.07 -0.21 0.18 0.52 0.00 0.00 175.17 175.52 1j0q n LEU 32 N 3.53 1.50 0.00 -1.34 4.77 -0.32 -4.69 117.00 120.44 1j0q n LEU 32 Ca -0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1j0q n LEU 32 Cb 0.51 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1j0q n LEU 32 CO 0.46 -0.43 0.00 0.35 -1.33 0.00 0.00 177.39 176.44 1j0q n THR 33 N -3.97 0.00 -0.23 -5.08 -2.24 -1.25 -0.47 114.28 101.04 1j0q n THR 33 Ca -0.09 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.90 1j0q n THR 33 Cb 0.32 0.00 0.55 0.00 -2.10 0.00 0.00 70.33 69.10 1j0q n THR 33 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1j0q h LYS 34 N 0.00 0.32 0.00 -0.78 1.57 -1.97 -0.38 116.57 115.34 1j0q h LYS 34 Ca 0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1j0q h LYS 34 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1j0q h LYS 34 CO 0.00 0.21 -0.44 0.35 -0.57 0.00 0.00 179.45 179.01 1j0q h PHE 35 N 0.33 0.00 -1.01 -1.35 3.57 -1.14 -3.20 116.94 114.15 1j0q h PHE 35 Ca 0.46 0.00 0.22 0.00 3.53 0.00 0.00 57.97 62.19 1j0q h PHE 35 Cb 1.26 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.89 1j0q h PHE 35 CO -0.00 0.44 0.61 -0.07 -2.23 0.00 0.00 178.31 177.06 1j0q h LEU 36 N 0.00 0.68 0.26 0.59 3.38 -1.23 0.26 115.31 119.24 1j0q h LEU 36 Ca -0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1j0q h LEU 36 Cb 1.05 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1j0q h LEU 36 CO 0.06 0.18 -0.12 -0.08 0.09 0.00 0.00 178.44 178.56 1j0q h GLU 37 N 0.63 -0.33 -0.70 1.13 4.22 -1.70 -3.15 114.58 114.68 1j0q h GLU 37 Ca 0.61 0.02 0.09 0.00 0.08 0.00 0.00 59.36 60.16 1j0q h GLU 37 Cb 1.13 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 1j0q h GLU 37 CO -0.40 0.03 0.34 1.49 -2.18 0.00 0.00 179.01 178.29 1j0q h GLU 38 N -0.83 0.57 -6.28 1.92 4.81 -1.35 -3.45 114.58 109.97 1j0q h GLU 38 Ca -0.04 -0.03 -0.63 0.00 -0.13 0.00 0.00 59.36 58.54 1j0q h GLU 38 Cb 0.51 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.79 1j0q h GLU 38 CO 0.06 0.38 1.05 1.58 -0.73 0.00 0.00 179.01 181.35 1j0q n HIS 39 N -4.87 2.29 -0.33 0.92 -0.00 0.79 -4.89 115.22 109.13 1j0q n HIS 39 Ca 0.11 0.07 0.12 0.00 0.46 0.00 0.00 57.72 58.48 1j0q n HIS 39 Cb 0.27 -2.63 0.30 0.00 -0.12 0.00 0.00 29.99 27.80 1j0q n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1j0q h PRO 40 N 8.74 0.62 0.00 1.57 0.11 -1.90 0.18 132.00 141.31 1j0q h PRO 40 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1j0q h PRO 40 Cb 1.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1j0q h PRO 40 CO 0.94 0.41 0.00 0.41 -0.21 0.00 0.00 178.00 179.55 1j0q n GLY 41 N -1.33 -0.99 0.17 -0.55 0.00 -1.26 -5.01 105.19 96.22 1j0q n GLY 41 Ca 0.22 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1j0q n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0q n GLY 42 N 0.11 -1.43 0.07 -0.02 0.00 0.62 -4.44 105.19 100.09 1j0q n GLY 42 Ca 0.05 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1j0q n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j0q h GLU 43 N -0.16 -0.01 -0.43 1.61 4.81 -1.83 -3.36 114.58 115.22 1j0q h GLU 43 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1j0q h GLU 43 Cb 0.16 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.45 1j0q h GLU 43 CO 0.00 0.77 -0.35 0.93 -0.73 0.00 0.00 179.01 179.63 1j0q h GLU 44 N -0.80 -0.25 -0.02 1.92 5.08 -1.92 0.18 114.58 118.77 1j0q h GLU 44 Ca -0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1j0q h GLU 44 Cb 0.78 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1j0q h GLU 44 CO 0.00 -0.16 -0.07 -0.24 -1.00 0.00 0.00 179.01 177.54 1j0q h VAL 45 N -0.26 1.06 -0.02 3.13 3.04 -1.78 0.65 116.25 122.09 1j0q h VAL 45 Ca 0.17 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 1j0q h VAL 45 Cb 0.55 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1j0q h VAL 45 CO -0.57 0.09 -0.02 -0.07 -1.01 0.00 0.00 177.57 175.99 1j0q h LEU 46 N 0.03 0.05 -0.87 3.16 4.07 -0.95 -3.33 115.31 117.47 1j0q h LEU 46 Ca 0.01 -0.54 -0.12 0.00 0.08 0.00 0.00 57.88 57.31 1j0q h LEU 46 Cb 0.14 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1j0q h LEU 46 CO 0.01 0.58 -0.44 0.03 -1.08 0.00 0.00 178.44 177.53 1j0q h ARG 47 N -0.47 0.27 -1.55 1.13 3.08 0.31 0.41 114.38 117.54 1j0q h ARG 47 Ca 0.00 -0.14 0.45 0.00 0.07 0.00 0.00 59.98 60.37 1j0q h ARG 47 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1j0q h ARG 47 CO 0.01 0.66 1.15 1.49 -1.07 0.00 0.00 179.97 182.20 1j0q h GLU 48 N 0.22 0.00 0.00 0.04 4.57 -1.04 -2.39 114.58 115.98 1j0q h GLU 48 Ca 0.02 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1j0q h GLU 48 Cb 0.87 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 1j0q h GLU 48 CO 0.07 0.00 -1.61 1.04 -1.18 0.00 0.00 179.01 177.33 1j0q n GLN 49 N -4.00 1.74 -1.45 1.92 1.13 0.41 -5.07 117.38 112.06 1j0q n GLN 49 Ca 0.34 -0.03 -0.36 0.00 -1.94 0.00 0.00 57.00 55.01 1j0q n GLN 49 Cb 1.63 -1.25 0.08 0.00 0.11 0.00 0.00 30.24 30.80 1j0q n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j0q n ALA 50 N -2.21 -0.13 -3.72 -1.58 0.00 0.11 -2.32 120.51 110.68 1j0q n ALA 50 Ca -0.12 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 1j0q n ALA 50 Cb 0.65 -2.11 0.03 0.00 0.00 0.00 0.00 19.45 18.02 1j0q n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0q n GLY 51 N 1.18 -0.29 3.82 0.00 0.00 0.65 -4.79 105.19 105.76 1j0q n GLY 51 Ca 0.13 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.31 1j0q n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j0q s GLY 52 N -4.33 -0.30 0.04 -0.02 0.00 -0.98 -4.20 107.32 97.53 1j0q s GLY 52 Ca 0.02 0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.88 1j0q s GLY 52 CO 0.82 3.58 0.95 0.51 0.00 0.00 0.00 173.10 178.96 1j0q s ASP 53 N -3.49 7.39 -0.18 1.64 -4.77 -1.26 -1.58 116.67 114.42 1j0q s ASP 53 Ca 0.24 1.68 0.13 0.00 -3.30 0.00 0.00 52.55 51.30 1j0q s ASP 53 Cb 0.03 -2.57 0.40 0.00 -1.09 0.00 0.00 42.92 39.69 1j0q s ASP 53 CO -0.04 -0.17 1.20 0.00 0.70 0.00 0.00 175.17 176.87 1j0q n ALA 54 N 3.45 3.36 0.34 2.11 0.00 -0.07 -4.84 120.51 124.86 1j0q n ALA 54 Ca 0.04 -3.12 -0.16 0.00 0.00 0.00 0.00 53.44 50.20 1j0q n ALA 54 Cb 0.50 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 1j0q n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1j0q h THR 55 N 1.28 0.28 0.00 0.00 2.02 -1.84 0.91 112.91 115.56 1j0q h THR 55 Ca -0.01 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 66.97 1j0q h THR 55 Cb 1.06 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1j0q h THR 55 CO 0.01 0.02 -0.17 1.05 0.37 0.00 0.00 175.52 176.80 1j0q h GLU 56 N -1.03 -0.26 -0.53 6.66 4.11 -1.90 -2.11 114.58 119.52 1j0q h GLU 56 Ca -0.09 0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.47 1j0q h GLU 56 Cb 0.70 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.93 1j0q h GLU 56 CO 0.15 -0.18 -0.00 -0.97 0.07 0.00 0.00 179.01 178.08 1j0q h ASN 57 N -0.27 -0.23 -0.12 3.06 -0.73 -1.90 0.34 115.58 115.71 1j0q h ASN 57 Ca 0.05 0.13 0.03 0.00 1.87 0.00 0.00 56.30 58.38 1j0q h ASN 57 Cb 0.34 0.23 -0.03 0.00 0.27 0.00 0.00 38.32 39.13 1j0q h ASN 57 CO -0.16 -0.08 -0.04 0.15 -0.37 0.00 0.00 177.43 176.92 1j0q h PHE 58 N 0.12 -0.10 -0.33 0.67 3.57 -0.46 -1.51 116.94 118.89 1j0q h PHE 58 Ca 0.27 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 1j0q h PHE 58 Cb 0.42 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1j0q h PHE 58 CO -0.33 -0.07 -0.17 0.93 -2.23 0.00 0.00 178.31 176.44 1j0q h GLU 59 N -0.02 0.61 -0.62 1.11 4.39 -0.62 -2.77 114.58 116.65 1j0q h GLU 59 Ca 0.06 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.56 1j0q h GLU 59 Cb 0.12 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1j0q h GLU 59 CO -0.14 0.75 0.41 0.22 -1.16 0.00 0.00 179.01 179.09 1j0q h ASP 60 N 0.55 0.72 0.34 1.42 3.58 -0.08 0.17 116.42 123.10 1j0q h ASP 60 Ca 0.09 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1j0q h ASP 60 Cb 0.60 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1j0q h ASP 60 CO 0.04 0.52 0.00 1.41 -2.88 0.00 0.00 179.24 178.33 1j0q n HIS 61 N -4.65 0.00 -3.46 0.28 8.25 -0.59 -4.92 115.22 110.13 1j0q n HIS 61 Ca 0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.31 1j0q n HIS 61 Cb 0.02 -0.27 0.08 0.00 1.12 0.00 0.00 29.99 30.93 1j0q n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j0q n GLY 62 N 0.30 -0.40 3.74 -1.41 0.00 0.58 -4.90 105.19 103.10 1j0q n GLY 62 Ca 0.09 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1j0q n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j0q s HIS 63 N -3.32 2.83 1.20 1.61 3.76 -1.15 -4.95 115.29 115.27 1j0q s HIS 63 Ca 0.34 0.75 -0.13 0.00 -0.15 0.00 0.00 55.06 55.86 1j0q s HIS 63 Cb -0.15 -4.04 0.30 0.00 1.11 0.00 0.00 32.58 29.81 1j0q s HIS 63 CO 0.69 -3.56 1.00 -1.13 -0.85 0.00 0.00 174.74 170.89 1j0q n SER 64 N 2.54 -1.90 -0.29 1.40 3.41 -1.26 -4.65 113.62 112.87 1j0q n SER 64 Ca 0.09 -0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.61 1j0q n SER 64 Cb 0.38 -1.24 0.27 0.00 -0.26 0.00 0.00 64.21 63.35 1j0q n SER 64 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1j0q h THR 65 N -2.76 0.36 -0.05 6.66 1.35 -1.98 0.17 112.91 116.66 1j0q h THR 65 Ca -0.63 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 1j0q h THR 65 Cb 1.34 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1j0q h THR 65 CO 0.50 0.04 -0.03 0.44 -0.25 0.00 0.00 175.52 176.22 1j0q h ASP 66 N 0.23 0.11 -0.55 5.36 5.19 -1.99 0.10 116.42 124.88 1j0q h ASP 66 Ca 0.52 -0.42 0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1j0q h ASP 66 Cb 1.02 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.47 1j0q h ASP 66 CO -0.62 0.51 0.36 0.00 -3.12 0.00 0.00 179.24 176.36 1j0q h ALA 67 N 0.61 0.70 -0.26 3.45 0.00 -1.84 0.68 119.26 122.60 1j0q h ALA 67 Ca 0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1j0q h ALA 67 Cb 0.47 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1j0q h ALA 67 CO 0.01 0.11 -0.43 0.00 0.00 0.00 0.00 179.25 178.94 1j0q h ARG 68 N 0.72 -0.34 -0.36 0.00 -0.00 -0.41 0.13 114.38 114.12 1j0q h ARG 68 Ca 0.21 0.02 0.07 0.00 -0.50 0.00 0.00 59.98 59.78 1j0q h ARG 68 Cb -0.05 0.08 -0.07 0.00 0.00 0.00 0.00 29.97 29.93 1j0q h ARG 68 CO -0.06 -0.23 -0.08 1.49 0.00 0.00 0.00 179.97 181.09 1j0q h GLU 69 N -0.35 0.01 -0.60 0.04 4.57 -0.23 -0.08 114.58 117.94 1j0q h GLU 69 Ca 0.05 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.35 1j0q h GLU 69 Cb 0.48 -0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.98 1j0q h GLU 69 CO -0.43 0.01 0.07 -0.07 -1.18 0.00 0.00 179.01 177.41 1j0q h LEU 70 N 0.01 -0.11 -1.26 1.64 -0.00 -0.58 -0.13 115.31 114.87 1j0q h LEU 70 Ca 0.17 0.13 0.03 0.00 -0.00 0.00 0.00 57.88 58.21 1j0q h LEU 70 Cb 0.26 0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 41.08 1j0q h LEU 70 CO -0.36 -0.05 0.51 0.28 -0.00 0.00 0.00 178.44 178.83 1j0q h SER 71 N 0.19 0.84 0.26 -0.43 0.02 0.11 -0.26 113.55 114.28 1j0q h SER 71 Ca 0.32 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1j0q h SER 71 Cb 0.49 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1j0q h SER 71 CO -0.45 0.58 -0.26 0.11 -1.14 0.00 0.00 176.83 175.67 1j0q h LYS 72 N 0.98 -0.53 0.00 3.45 1.57 -0.10 -1.72 116.57 120.22 1j0q h LYS 72 Ca 0.30 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1j0q h LYS 72 Cb 0.01 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1j0q h LYS 72 CO -0.08 -0.36 0.00 0.00 -0.57 0.00 0.00 179.45 178.44 1j0q h THR 73 N -0.55 0.00 0.00 -0.16 1.03 -0.94 -0.77 112.91 111.52 1j0q h THR 73 Ca -0.01 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 66.09 1j0q h THR 73 Cb 0.51 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.86 1j0q h THR 73 CO -0.06 0.00 -0.14 0.49 -0.01 0.00 0.00 175.52 175.81 1j0q n PHE 74 N -3.01 0.33 -1.70 0.00 3.72 -0.19 -4.90 117.46 111.73 1j0q n PHE 74 Ca -0.01 0.10 -0.44 0.00 -0.05 0.00 0.00 57.45 57.05 1j0q n PHE 74 Cb 0.21 -0.61 -0.03 0.00 -0.94 0.00 0.00 39.48 38.11 1j0q n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1j0q n ILE 75 N -1.79 0.34 0.00 4.37 5.41 -0.30 -0.94 119.36 126.46 1j0q n ILE 75 Ca 0.06 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1j0q n ILE 75 Cb 0.38 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 1j0q n ILE 75 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1j0q n ILE 76 N 3.08 0.00 -3.66 1.39 -6.64 -0.29 -4.88 119.36 108.37 1j0q n ILE 76 Ca 0.14 -0.39 0.00 0.00 -1.77 0.00 0.00 62.75 60.73 1j0q n ILE 76 Cb 0.32 0.98 0.00 0.00 -1.44 0.00 0.00 39.64 39.51 1j0q n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1j0q n GLY 77 N 0.83 -0.48 3.19 3.28 0.00 -1.24 -4.97 105.19 105.80 1j0q n GLY 77 Ca 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1j0q n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j0q s GLU 78 N -2.00 0.97 -0.56 1.61 8.01 -1.26 -0.88 118.70 124.59 1j0q s GLU 78 Ca 0.00 -1.38 -0.28 0.00 0.01 0.00 0.00 54.97 53.32 1j0q s GLU 78 Cb 0.00 0.27 0.02 0.00 -4.31 0.00 0.00 34.13 30.11 1j0q s GLU 78 CO 0.00 -0.29 1.29 -1.17 0.01 0.00 0.00 175.26 175.10 1j0q s LEU 79 N -3.03 3.45 -0.10 1.80 2.96 0.42 -1.78 118.68 122.40 1j0q s LEU 79 Ca 0.22 0.24 -0.31 0.00 -0.22 0.00 0.00 54.13 54.06 1j0q s LEU 79 Cb 0.07 -3.17 -0.09 0.00 0.50 0.00 0.00 46.19 43.49 1j0q s LEU 79 CO 0.01 -1.55 2.04 1.57 -1.32 0.00 0.00 176.35 177.10 1j0q n HIS 80 N 8.85 2.24 0.06 5.38 -0.00 0.77 -4.82 115.22 127.69 1j0q n HIS 80 Ca 0.11 -0.16 0.04 0.00 -0.00 0.00 0.00 57.72 57.71 1j0q n HIS 80 Cb 0.49 -2.72 0.19 0.00 -0.00 0.00 0.00 29.99 27.94 1j0q n HIS 80 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1j0q n PRO 81 N 7.71 0.05 -0.21 1.57 -0.02 -1.26 -0.54 135.00 142.29 1j0q n PRO 81 Ca 0.25 0.52 0.26 0.00 -2.02 0.00 0.00 63.50 62.52 1j0q n PRO 81 Cb 0.37 -1.69 0.67 0.00 -0.02 0.00 0.00 33.50 32.83 1j0q n PRO 81 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1j0q h ASP 82 N 0.00 0.12 0.00 2.55 3.58 -1.99 -1.60 116.42 119.07 1j0q h ASP 82 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1j0q h ASP 82 Cb 0.08 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1j0q h ASP 82 CO 0.00 0.04 0.00 -0.67 -2.88 0.00 0.00 179.24 175.73 1j0q n ASP 83 N -4.34 0.00 0.00 2.28 -0.08 0.30 -5.17 116.55 109.54 1j0q n ASP 83 Ca 0.19 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.46 1j0q n ASP 83 Cb 0.91 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21