#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0q n VAL 4 N 0.00 0.00 -0.02 0.00 0.24 -1.26 -5.05 118.33 112.25 1j0q n VAL 4 Ca 0.00 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.34 62.23 1j0q n VAL 4 Cb 0.00 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 31.58 1j0q n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1j0q n LYS 5 N -1.76 0.12 -1.44 7.34 4.01 -1.26 -5.14 118.16 120.03 1j0q n LYS 5 Ca 0.01 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1j0q n LYS 5 Cb 0.02 -0.70 0.00 0.00 -0.51 0.00 0.00 35.03 33.84 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1j0q n TYR 6 N -3.38 -3.04 -3.92 2.13 4.01 -1.26 -5.00 117.16 106.69 1j0q n TYR 6 Ca -0.09 1.64 -0.16 0.00 -0.16 0.00 0.00 57.90 59.12 1j0q n TYR 6 Cb 0.45 -2.54 -0.16 0.00 -0.31 0.00 0.00 39.34 36.78 1j0q n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1j0q s TYR 7 N -4.49 0.27 0.19 -0.72 1.51 0.58 -4.82 117.35 109.87 1j0q s TYR 7 Ca 0.00 0.01 -0.09 0.00 -1.01 0.00 0.00 57.07 55.98 1j0q s TYR 7 Cb 0.00 -0.35 -0.07 0.00 -0.11 0.00 0.00 41.96 41.43 1j0q s TYR 7 CO 0.00 -0.11 0.50 0.95 -1.11 0.00 0.00 175.55 175.78 1j0q s THR 8 N 0.87 5.00 0.30 -0.71 -4.23 -1.26 -0.42 115.64 115.19 1j0q s THR 8 Ca -0.09 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 1j0q s THR 8 Cb -0.12 -3.63 0.40 0.00 1.34 0.00 0.00 72.50 70.50 1j0q s THR 8 CO -0.02 -0.00 1.58 0.25 -0.54 0.00 0.00 174.62 175.89 1j0q h LEU 9 N 2.74 -0.48 -0.89 4.79 6.46 -1.95 0.25 115.31 126.23 1j0q h LEU 9 Ca -0.47 0.27 0.10 0.00 -0.12 0.00 0.00 57.88 57.66 1j0q h LEU 9 Cb 1.17 0.48 -0.12 0.00 -0.73 0.00 0.00 40.66 41.46 1j0q h LEU 9 CO 0.70 -0.33 -0.53 -0.08 -0.62 0.00 0.00 178.44 177.57 1j0q h GLU 10 N 0.02 -0.06 0.13 1.25 4.57 -2.00 0.15 114.58 118.64 1j0q h GLU 10 Ca 0.58 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.75 1j0q h GLU 10 Cb 1.16 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1j0q h GLU 10 CO -0.90 -0.04 -0.06 0.93 -1.18 0.00 0.00 179.01 177.75 1j0q h GLU 11 N -0.07 -0.17 -0.54 1.92 4.39 -1.44 -3.31 114.58 115.37 1j0q h GLU 11 Ca 0.19 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.93 1j0q h GLU 11 Cb 0.48 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1j0q h GLU 11 CO -0.89 0.11 0.31 0.82 -1.16 0.00 0.00 179.01 178.20 1j0q h ILE 12 N -0.45 1.04 -0.67 3.13 2.04 0.68 0.89 117.51 124.17 1j0q h ILE 12 Ca -0.02 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 65.76 1j0q h ILE 12 Cb 0.36 0.36 -0.13 0.00 -0.74 0.00 0.00 36.82 36.68 1j0q h ILE 12 CO 0.03 0.11 -0.21 1.56 0.00 0.00 0.00 178.15 179.65 1j0q h GLN 13 N 0.62 -0.03 -0.25 2.37 4.20 -0.89 -2.58 115.11 118.55 1j0q h GLN 13 Ca 0.22 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.77 1j0q h GLN 13 Cb 0.05 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1j0q h GLN 13 CO -0.11 -0.02 -0.49 -0.22 -0.67 0.00 0.00 178.83 177.32 1j0q h LYS 14 N -0.04 0.77 -4.14 1.46 1.63 -1.01 -3.31 116.57 111.94 1j0q h LYS 14 Ca 0.31 -0.49 -0.57 0.00 -0.85 0.00 0.00 60.65 59.04 1j0q h LYS 14 Cb 0.51 0.06 0.04 0.00 -0.60 0.00 0.00 32.23 32.24 1j0q h LYS 14 CO -0.70 1.12 2.44 0.72 -3.45 0.00 0.00 179.45 179.58 1j0q n HIS 15 N -4.11 1.80 -1.95 1.91 8.25 0.00 -3.74 115.22 117.39 1j0q n HIS 15 Ca -0.05 -1.92 0.00 0.00 -0.26 0.00 0.00 57.72 55.49 1j0q n HIS 15 Cb 0.59 -1.74 0.00 0.00 1.12 0.00 0.00 29.99 29.96 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 6.41 0.00 -2.08 0.41 6.94 -1.24 -0.73 115.26 124.97 1j0q n ASN 16 Ca 0.48 -1.36 -0.12 0.00 -0.02 0.00 0.00 54.58 53.56 1j0q n ASN 16 Cb 0.32 -0.07 0.05 0.00 -2.36 0.00 0.00 39.78 37.72 1j0q n ASN 16 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1j0q n ASN 17 N 0.00 3.39 -2.26 0.53 6.94 -1.25 -4.95 115.26 117.67 1j0q n ASN 17 Ca 0.00 -3.16 -0.08 0.00 -0.02 0.00 0.00 54.58 51.32 1j0q n ASN 17 Cb 0.57 -0.40 0.04 0.00 -2.36 0.00 0.00 39.78 37.63 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1j0q n SER 18 N -0.65 -3.22 0.00 0.53 2.88 -1.26 -4.94 113.62 106.96 1j0q n SER 18 Ca 0.28 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1j0q n SER 18 Cb 0.90 -2.74 0.00 0.00 -0.75 0.00 0.00 64.21 61.62 1j0q n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1j0q n LYS 19 N -2.41 0.00 -3.67 -1.46 4.76 -1.26 -5.11 118.16 109.01 1j0q n LYS 19 Ca -0.08 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.24 1j0q n LYS 19 Cb 0.57 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.67 1j0q n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1j0q s SER 20 N -1.35 -0.65 -0.35 4.39 0.15 -1.26 -5.06 113.70 109.57 1j0q s SER 20 Ca 0.00 1.19 0.02 0.00 0.70 0.00 0.00 55.95 57.86 1j0q s SER 20 Cb 0.00 1.16 0.10 0.00 -1.71 0.00 0.00 66.02 65.57 1j0q s SER 20 CO 0.00 -0.21 0.07 -0.89 1.20 0.00 0.00 173.24 173.41 1j0q s THR 21 N 0.70 2.58 -0.10 6.45 2.01 -1.26 -3.98 115.64 122.03 1j0q s THR 21 Ca -0.03 -2.14 -0.03 0.00 0.31 0.00 0.00 61.69 59.80 1j0q s THR 21 Cb -0.05 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1j0q s THR 21 CO -0.05 -0.53 0.02 0.26 -0.69 0.00 0.00 174.62 173.63 1j0q s TRP 22 N 1.01 3.20 0.06 4.92 0.52 0.09 -1.80 118.94 126.94 1j0q s TRP 22 Ca 0.07 0.19 -0.04 0.00 0.02 0.00 0.00 56.10 56.34 1j0q s TRP 22 Cb -0.20 -1.84 -0.02 0.00 -1.15 0.00 0.00 33.47 30.26 1j0q s TRP 22 CO -0.06 0.44 0.05 -0.51 0.02 0.00 0.00 176.95 176.89 1j0q s LEU 23 N -0.71 2.05 -0.17 2.99 1.02 0.05 0.21 118.68 124.12 1j0q s LEU 23 Ca 0.11 -0.78 -0.17 0.00 0.02 0.00 0.00 54.13 53.31 1j0q s LEU 23 Cb -0.12 0.50 -0.04 0.00 0.02 0.00 0.00 46.19 46.56 1j0q s LEU 23 CO 0.02 -0.60 0.44 -0.63 0.02 0.00 0.00 176.35 175.61 1j0q s ILE 24 N -3.51 5.18 -0.42 -0.59 1.01 -0.33 -0.55 121.20 122.00 1j0q s ILE 24 Ca 0.03 0.83 0.02 0.00 0.00 0.00 0.00 60.65 61.53 1j0q s ILE 24 Cb 0.04 -3.78 0.13 0.00 0.01 0.00 0.00 42.46 38.87 1j0q s ILE 24 CO -0.09 0.27 0.22 -0.76 0.00 0.00 0.00 174.94 174.58 1j0q s LEU 25 N 1.09 2.47 -0.52 2.97 1.02 -0.98 -0.78 118.68 123.95 1j0q s LEU 25 Ca 0.22 -2.49 -0.02 0.00 0.02 0.00 0.00 54.13 51.86 1j0q s LEU 25 Cb -0.15 -0.95 -0.03 0.00 0.02 0.00 0.00 46.19 45.08 1j0q s LEU 25 CO 0.09 -0.29 0.45 1.41 0.02 0.00 0.00 176.35 178.03 1j0q n HIS 26 N 3.72 -1.15 0.00 0.29 8.25 -1.26 -3.96 115.22 121.11 1j0q n HIS 26 Ca 0.08 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1j0q n HIS 26 Cb 0.35 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 28.14 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 -2.37 0.00 -1.17 4.41 4.02 -1.26 -4.92 117.16 115.87 1j0q n TYR 27 Ca -0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.52 1j0q n TYR 27 Cb 0.56 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.99 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 1.91 -0.09 -0.72 -0.14 -1.25 -0.91 119.74 118.54 1j0q s LYS 28 Ca 0.00 1.40 0.04 0.00 -1.36 0.00 0.00 55.97 56.05 1j0q s LYS 28 Cb 0.00 -1.84 -0.01 0.00 -1.68 0.00 0.00 37.83 34.30 1j0q s LYS 28 CO 0.00 -1.94 -0.22 0.08 -0.76 0.00 0.00 175.35 172.52 1j0q s VAL 29 N -2.62 2.32 -0.18 3.17 1.01 -0.14 -2.32 120.40 121.63 1j0q s VAL 29 Ca 0.65 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1j0q s VAL 29 Cb -0.21 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.32 1j0q s VAL 29 CO 0.53 0.56 -0.10 -0.31 0.00 0.00 0.00 175.10 175.78 1j0q s TYR 30 N 0.09 2.20 -0.18 5.22 1.51 0.29 -1.02 117.35 125.47 1j0q s TYR 30 Ca -0.10 -1.40 -0.08 0.00 -1.01 0.00 0.00 57.07 54.49 1j0q s TYR 30 Cb -0.16 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1j0q s TYR 30 CO 0.06 -0.70 0.08 0.34 -1.11 0.00 0.00 175.55 174.22 1j0q s ASP 31 N 1.47 5.80 0.00 2.29 -1.08 -0.41 -0.77 116.67 123.96 1j0q s ASP 31 Ca 0.01 0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.18 1j0q s ASP 31 Cb -0.15 -1.98 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 1j0q s ASP 31 CO -0.09 0.21 0.00 0.18 0.52 0.00 0.00 175.17 175.99 1j0q n LEU 32 N 3.33 0.00 0.00 -1.34 4.77 -0.75 -4.65 117.00 118.36 1j0q n LEU 32 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1j0q n LEU 32 Cb 0.52 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1j0q n LEU 32 CO 0.35 -0.41 0.00 0.41 -1.33 0.00 0.00 177.39 176.41 1j0q n THR 33 N -2.25 0.00 -0.08 -5.08 -1.04 -1.26 -3.37 114.28 101.19 1j0q n THR 33 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1j0q n THR 33 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1j0q n THR 33 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1j0q h LYS 34 N 0.00 0.83 0.00 -2.82 1.57 -1.98 -3.32 116.57 110.85 1j0q h LYS 34 Ca 0.00 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 58.27 1j0q h LYS 34 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1j0q h LYS 34 CO 0.00 1.10 -0.22 0.35 -0.57 0.00 0.00 179.45 180.11 1j0q h PHE 35 N 0.67 0.00 -0.65 -1.35 3.57 -1.96 0.56 116.94 117.78 1j0q h PHE 35 Ca 0.04 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.70 1j0q h PHE 35 Cb 1.03 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.65 1j0q h PHE 35 CO 0.06 0.22 -0.04 1.28 -2.23 0.00 0.00 178.31 177.60 1j0q n LEU 36 N -3.84 -0.13 0.14 0.59 4.77 -1.25 0.04 117.00 117.33 1j0q n LEU 36 Ca -0.02 1.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.94 1j0q n LEU 36 Cb 0.32 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1j0q n LEU 36 CO 0.34 -1.10 0.48 -0.33 -1.33 0.00 0.00 177.39 175.46 1j0q h GLU 37 N 0.00 -0.38 -0.19 3.23 4.39 -1.11 -3.20 114.58 117.33 1j0q h GLU 37 Ca 0.36 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 1j0q h GLU 37 Cb 0.70 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1j0q h GLU 37 CO -0.63 -0.04 0.09 0.93 -1.16 0.00 0.00 179.01 178.20 1j0q h GLU 38 N -0.82 0.25 -6.33 2.33 5.08 -1.01 -3.45 114.58 110.64 1j0q h GLU 38 Ca -0.04 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.76 1j0q h GLU 38 Cb 0.51 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1j0q h GLU 38 CO 0.07 0.20 1.04 -1.58 -1.00 0.00 0.00 179.01 177.74 1j0q s HIS 39 N -5.19 2.19 0.30 4.33 2.46 0.11 -4.92 115.29 114.56 1j0q s HIS 39 Ca -0.06 0.29 0.05 0.00 0.47 0.00 0.00 55.06 55.81 1j0q s HIS 39 Cb 0.17 -3.90 0.73 0.00 -0.13 0.00 0.00 32.58 29.45 1j0q s HIS 39 CO 0.70 -3.72 1.76 -1.35 -2.47 0.00 0.00 174.74 169.67 1j0q h PRO 40 N 9.03 0.68 0.00 2.88 0.11 -1.90 0.14 132.00 142.94 1j0q h PRO 40 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1j0q h PRO 40 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1j0q h PRO 40 CO 0.94 0.45 0.00 0.78 -0.21 0.00 0.00 178.00 179.96 1j0q h GLY 41 N 0.70 0.00 -0.20 -0.55 0.00 -1.96 -3.49 103.07 97.57 1j0q h GLY 41 Ca 0.57 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.93 1j0q h GLY 41 CO -0.40 0.00 -0.04 0.61 0.00 0.00 0.00 176.54 176.71 1j0q n GLY 42 N -0.59 -1.45 0.13 4.60 0.00 0.48 -4.37 105.19 103.99 1j0q n GLY 42 Ca -0.01 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.08 -0.24 -0.77 1.61 4.81 -1.84 -3.32 114.58 114.75 1j0q h GLU 43 Ca 0.00 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.40 1j0q h GLU 43 Cb 0.08 0.05 -0.15 0.00 0.63 0.00 0.00 28.75 29.37 1j0q h GLU 43 CO 0.00 -0.16 -0.21 0.93 -0.73 0.00 0.00 179.01 178.84 1j0q h GLU 44 N -0.86 -0.01 -0.79 1.92 3.07 -1.92 0.42 114.58 116.40 1j0q h GLU 44 Ca -0.03 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.01 1j0q h GLU 44 Cb 0.19 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.99 1j0q h GLU 44 CO 0.04 -0.01 0.27 0.28 -1.40 0.00 0.00 179.01 178.20 1j0q h VAL 45 N -0.01 0.54 0.01 3.13 2.07 -1.76 0.19 116.25 120.41 1j0q h VAL 45 Ca 0.36 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 1j0q h VAL 45 Cb 0.57 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1j0q h VAL 45 CO -0.80 0.06 -0.00 -0.07 0.02 0.00 0.00 177.57 176.78 1j0q h LEU 46 N 0.35 -0.01 -0.99 2.57 3.38 -0.39 -3.35 115.31 116.88 1j0q h LEU 46 Ca 0.46 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1j0q h LEU 46 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1j0q h LEU 46 CO -0.49 0.39 -0.22 0.03 0.09 0.00 0.00 178.44 178.24 1j0q h ARG 47 N -0.42 0.48 -1.54 1.13 3.08 0.55 0.26 114.38 117.92 1j0q h ARG 47 Ca -0.00 -0.17 0.45 0.00 0.07 0.00 0.00 59.98 60.33 1j0q h ARG 47 Cb 0.41 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 1j0q h ARG 47 CO 0.00 0.67 1.11 1.49 -1.07 0.00 0.00 179.97 182.17 1j0q h GLU 48 N 0.43 0.01 0.00 0.04 4.57 -0.82 -2.04 114.58 116.76 1j0q h GLU 48 Ca 0.07 -0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.01 1j0q h GLU 48 Cb 0.62 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 1j0q h GLU 48 CO 0.04 0.00 -1.89 1.04 -1.18 0.00 0.00 179.01 177.03 1j0q n GLN 49 N -4.08 1.85 -1.78 1.92 1.13 0.32 -5.03 117.38 111.71 1j0q n GLN 49 Ca 0.34 -0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 55.01 1j0q n GLN 49 Cb 1.59 -1.33 0.04 0.00 0.11 0.00 0.00 30.24 30.65 1j0q n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j0q s ALA 50 N -2.33 2.89 -1.12 -1.58 0.00 0.65 -1.84 121.76 118.43 1j0q s ALA 50 Ca -0.06 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 1j0q s ALA 50 Cb 0.04 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1j0q s ALA 50 CO 0.53 -1.35 0.94 0.41 0.00 0.00 0.00 175.76 176.29 1j0q n GLY 51 N 0.70 -0.31 0.00 0.00 0.00 0.13 -4.77 105.19 100.94 1j0q n GLY 51 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1j0q n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0q n GLY 52 N -1.20 -0.55 3.79 -0.02 0.00 -0.77 -4.26 105.19 102.19 1j0q n GLY 52 Ca -0.24 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1j0q n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0q s ASP 53 N -4.00 7.25 -0.01 1.61 2.15 -1.25 -1.19 116.67 121.23 1j0q s ASP 53 Ca 0.00 1.61 0.02 0.00 0.43 0.00 0.00 52.55 54.61 1j0q s ASP 53 Cb 0.00 -2.49 0.03 0.00 -0.30 0.00 0.00 42.92 40.16 1j0q s ASP 53 CO 0.00 0.07 0.98 0.00 -0.17 0.00 0.00 175.17 176.05 1j0q n ALA 54 N 0.97 1.97 0.48 3.66 0.00 0.04 -4.76 120.51 122.87 1j0q n ALA 54 Ca -0.02 -1.13 -0.20 0.00 0.00 0.00 0.00 53.44 52.09 1j0q n ALA 54 Cb 0.50 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 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 6.01 0.12 -0.03 0.00 2.02 -1.77 0.22 112.91 119.48 1j0q h THR 55 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1j0q h THR 55 Cb 1.33 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1j0q h THR 55 CO 0.00 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 175.48 1j0q h GLU 56 N -1.21 -0.11 -0.38 6.66 5.08 -1.93 -2.46 114.58 120.24 1j0q h GLU 56 Ca -0.12 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1j0q h GLU 56 Cb 0.93 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 1j0q h GLU 56 CO 0.20 -0.08 -0.07 -0.97 -1.00 0.00 0.00 179.01 177.09 1j0q h ASN 57 N -0.12 -0.31 -0.55 1.42 -0.73 -1.91 0.38 115.58 113.77 1j0q h ASN 57 Ca 0.04 0.11 0.10 0.00 1.87 0.00 0.00 56.30 58.42 1j0q h ASN 57 Cb 0.17 0.22 -0.08 0.00 0.27 0.00 0.00 38.32 38.90 1j0q h ASN 57 CO -0.10 -0.11 0.08 0.15 -0.37 0.00 0.00 177.43 177.08 1j0q h PHE 58 N 0.02 0.11 0.00 0.67 3.57 -0.61 -1.08 116.94 119.62 1j0q h PHE 58 Ca 0.18 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.56 1j0q h PHE 58 Cb 0.28 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1j0q h PHE 58 CO -0.32 -0.06 -0.77 0.93 -2.23 0.00 0.00 178.31 175.86 1j0q h GLU 59 N 0.20 0.00 -0.32 1.11 4.39 -0.86 0.45 114.58 119.56 1j0q h GLU 59 Ca 0.28 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1j0q h GLU 59 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1j0q h GLU 59 CO -0.40 0.77 0.08 0.22 -1.16 0.00 0.00 179.01 178.51 1j0q h ASP 60 N 0.00 0.48 -0.34 1.42 3.58 0.35 -1.26 116.42 120.64 1j0q h ASP 60 Ca -0.01 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 1j0q h ASP 60 Cb 1.39 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1j0q h ASP 60 CO 0.10 0.58 0.14 0.45 -2.88 0.00 0.00 179.24 177.63 1j0q h HIS 61 N 0.35 0.51 -0.94 0.28 3.86 -1.23 -3.48 115.15 114.50 1j0q h HIS 61 Ca 0.10 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1j0q h HIS 61 Cb 0.29 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1j0q h HIS 61 CO 0.01 0.48 0.00 0.41 0.86 0.00 0.00 177.93 179.69 1j0q n GLY 62 N -0.76 0.48 3.68 2.45 0.00 0.11 -4.99 105.19 106.15 1j0q n GLY 62 Ca -0.01 -0.23 -0.46 0.00 0.00 0.00 0.00 46.02 45.32 1j0q n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j0q n HIS 63 N -0.49 2.40 -0.76 1.61 8.25 -0.93 -4.94 115.22 120.37 1j0q n HIS 63 Ca 0.00 0.07 -0.28 0.00 -0.26 0.00 0.00 57.72 57.24 1j0q n HIS 63 Cb 0.24 -2.63 0.23 0.00 1.12 0.00 0.00 29.99 28.94 1j0q n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1j0q s SER 64 N 2.32 1.51 0.25 0.41 0.01 -1.26 -4.50 113.70 112.43 1j0q s SER 64 Ca 0.83 1.41 0.01 0.00 1.31 0.00 0.00 55.95 59.52 1j0q s SER 64 Cb -0.62 -2.15 0.62 0.00 0.21 0.00 0.00 66.02 64.08 1j0q s SER 64 CO 0.41 -3.86 1.28 0.35 0.41 0.00 0.00 173.24 171.84 1j0q n THR 65 N -4.68 -0.34 0.01 1.44 -2.24 -1.26 -0.56 114.28 106.64 1j0q n THR 65 Ca 0.04 1.80 -0.13 0.00 -2.27 0.00 0.00 64.05 63.49 1j0q n THR 65 Cb 0.55 -2.63 -0.09 0.00 -2.10 0.00 0.00 70.33 66.06 1j0q n THR 65 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1j0q h ASP 66 N 0.00 -0.02 -0.67 3.42 5.19 -1.99 0.21 116.42 122.56 1j0q h ASP 66 Ca 0.50 -0.39 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 1j0q h ASP 66 Cb 1.02 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 1j0q h ASP 66 CO -0.77 0.38 0.17 0.00 -3.12 0.00 0.00 179.24 175.90 1j0q h ALA 67 N 0.54 0.88 0.12 3.45 0.00 -1.67 -0.24 119.26 122.34 1j0q h ALA 67 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1j0q h ALA 67 Cb 0.41 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1j0q h ALA 67 CO 0.00 0.60 -0.49 0.00 0.00 0.00 0.00 179.25 179.36 1j0q h ARG 68 N 1.00 -0.70 -0.58 0.00 3.08 -0.64 0.18 114.38 116.71 1j0q h ARG 68 Ca 0.21 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.41 1j0q h ARG 68 Cb 0.36 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 1j0q h ARG 68 CO 0.00 -0.46 0.16 1.49 -1.07 0.00 0.00 179.97 180.09 1j0q h GLU 69 N -0.72 0.30 -0.82 0.04 4.57 -0.31 0.53 114.58 118.17 1j0q h GLU 69 Ca 0.01 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.26 1j0q h GLU 69 Cb 0.74 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.19 1j0q h GLU 69 CO -0.28 0.20 0.47 -0.07 -1.18 0.00 0.00 179.01 178.15 1j0q h LEU 70 N 0.31 0.66 -0.93 1.64 -0.00 -0.68 -1.92 115.31 114.39 1j0q h LEU 70 Ca 0.30 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 58.20 1j0q h LEU 70 Cb 0.41 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 40.96 1j0q h LEU 70 CO -0.35 0.38 0.40 0.77 -0.00 0.00 0.00 178.44 179.63 1j0q h SER 71 N 0.78 1.05 -0.07 -0.43 4.64 0.16 0.12 113.55 119.80 1j0q h SER 71 Ca 0.40 -0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.63 1j0q h SER 71 Cb 0.37 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 1j0q h SER 71 CO -0.25 0.88 -0.14 0.11 -0.87 0.00 0.00 176.83 176.56 1j0q h LYS 72 N 1.15 -0.19 -0.97 4.77 1.57 -0.63 -1.50 116.57 120.77 1j0q h LYS 72 Ca 0.28 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.23 1j0q h LYS 72 Cb 0.10 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.37 1j0q h LYS 72 CO -0.04 -0.13 0.61 1.15 -0.57 0.00 0.00 179.45 180.48 1j0q h THR 73 N -0.20 0.81 0.00 -0.16 2.02 -0.53 -0.74 112.91 114.11 1j0q h THR 73 Ca 0.07 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1j0q h THR 73 Cb 0.30 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1j0q h THR 73 CO -0.18 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.34 1j0q n PHE 74 N -4.65 0.26 -1.67 3.16 3.72 0.30 -4.84 117.46 113.74 1j0q n PHE 74 Ca 0.20 0.08 -0.44 0.00 -0.05 0.00 0.00 57.45 57.24 1j0q n PHE 74 Cb 0.48 -0.63 -0.04 0.00 -0.94 0.00 0.00 39.48 38.36 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 -1.71 0.66 0.15 4.37 5.41 -0.29 -1.29 119.36 126.66 1j0q n ILE 75 Ca 0.06 -0.12 0.05 0.00 1.00 0.00 0.00 62.75 63.74 1j0q n ILE 75 Cb 0.33 -2.14 -0.07 0.00 -0.71 0.00 0.00 39.64 37.06 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 5.31 0.00 -3.99 1.39 -5.35 -0.19 -4.94 119.36 111.60 1j0q n ILE 76 Ca 0.21 -0.24 0.02 0.00 -0.27 0.00 0.00 62.75 62.46 1j0q n ILE 76 Cb 0.36 0.54 0.01 0.00 -1.74 0.00 0.00 39.64 38.82 1j0q n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0q n GLY 77 N 1.70 0.29 3.07 3.28 0.00 -1.19 -4.99 105.19 107.36 1j0q n GLY 77 Ca -0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.02 0.56 -0.29 1.61 8.01 -1.26 -0.96 118.70 124.34 1j0q s GLU 78 Ca 0.28 -0.92 -0.18 0.00 0.01 0.00 0.00 54.97 54.16 1j0q s GLU 78 Cb -0.01 -0.10 -0.02 0.00 -4.31 0.00 0.00 34.13 29.69 1j0q s GLU 78 CO 0.01 -0.01 0.51 -1.17 0.01 0.00 0.00 175.26 174.60 1j0q s LEU 79 N -2.08 4.14 0.11 1.80 1.98 -0.09 -0.31 118.68 124.24 1j0q s LEU 79 Ca -0.04 0.32 -0.31 0.00 -2.89 0.00 0.00 54.13 51.21 1j0q s LEU 79 Cb -0.04 -2.63 -0.09 0.00 0.66 0.00 0.00 46.19 44.09 1j0q s LEU 79 CO -0.03 -0.35 1.61 -2.28 -1.89 0.00 0.00 176.35 173.42 1j0q s HIS 80 N 2.34 2.71 -1.42 5.38 5.65 0.44 -4.77 115.29 125.62 1j0q s HIS 80 Ca 0.20 0.46 0.16 0.00 0.25 0.00 0.00 55.06 56.13 1j0q s HIS 80 Cb -0.15 -3.95 0.83 0.00 -1.18 0.00 0.00 32.58 28.12 1j0q s HIS 80 CO 0.11 -3.66 1.48 -2.30 -0.65 0.00 0.00 174.74 169.71 1j0q n PRO 81 N 4.85 0.23 -0.22 2.88 -0.02 -1.26 -0.49 135.00 140.98 1j0q n PRO 81 Ca 0.15 0.13 0.24 0.00 -2.02 0.00 0.00 63.50 62.00 1j0q n PRO 81 Cb 0.40 -1.50 0.61 0.00 -0.02 0.00 0.00 33.50 32.99 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 0.22 0.46 2.55 3.58 -2.00 -2.89 116.42 118.34 1j0q h ASP 82 Ca 0.00 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1j0q h ASP 82 Cb 0.16 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1j0q h ASP 82 CO 0.00 0.08 -0.22 -0.78 -2.88 0.00 0.00 179.24 175.44 1j0q h ASP 83 N 0.22 -0.52 0.00 2.28 1.82 -1.12 -3.53 116.42 115.56 1j0q h ASP 83 Ca 0.46 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.11 1j0q h ASP 83 Cb 1.43 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.58 1j0q h ASP 83 CO -0.11 -0.26 0.00 0.54 -1.61 0.00 0.00 179.24 177.80