#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 -0.06 0.00 0.24 -1.26 -5.04 118.33 112.22 1j0q n VAL 4 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1j0q n VAL 4 Cb 0.00 -1.11 -0.05 0.00 -1.47 0.00 0.00 33.84 31.21 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 -1.30 0.26 -1.33 7.34 5.02 -1.26 -5.14 118.16 121.75 1j0q n LYS 5 Ca 0.00 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.45 1j0q n LYS 5 Cb 0.00 -1.08 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j0q n TYR 6 N -3.13 -3.61 -3.90 2.13 4.02 -1.26 -5.03 117.16 106.37 1j0q n TYR 6 Ca -0.21 1.98 -0.16 0.00 -0.01 0.00 0.00 57.90 59.50 1j0q n TYR 6 Cb 0.69 -3.18 -0.16 0.00 -0.02 0.00 0.00 39.34 36.66 1j0q n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1j0q s TYR 7 N -4.73 0.25 0.42 -0.72 1.51 0.37 -4.81 117.35 109.64 1j0q s TYR 7 Ca 0.00 0.02 -0.14 0.00 -1.01 0.00 0.00 57.07 55.94 1j0q s TYR 7 Cb 0.00 -0.36 -0.08 0.00 -0.11 0.00 0.00 41.96 41.41 1j0q s TYR 7 CO 0.00 -0.11 0.84 0.95 -1.11 0.00 0.00 175.55 176.11 1j0q s THR 8 N 0.97 4.64 0.44 -0.71 -4.23 -1.26 -0.62 115.64 114.87 1j0q s THR 8 Ca -0.09 0.96 0.13 0.00 -1.18 0.00 0.00 61.69 61.51 1j0q s THR 8 Cb -0.13 -3.68 0.32 0.00 1.34 0.00 0.00 72.50 70.35 1j0q s THR 8 CO -0.02 -0.45 1.99 0.25 -0.54 0.00 0.00 174.62 175.85 1j0q h LEU 9 N 1.50 0.36 -0.19 4.79 7.12 -1.94 0.11 115.31 127.07 1j0q h LEU 9 Ca -0.47 0.01 0.03 0.00 0.13 0.00 0.00 57.88 57.57 1j0q h LEU 9 Cb 1.18 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 41.19 1j0q h LEU 9 CO 0.63 0.22 -0.40 -0.08 -0.13 0.00 0.00 178.44 178.68 1j0q h GLU 10 N 0.41 -0.36 -0.56 1.25 4.81 -1.97 0.13 114.58 118.29 1j0q h GLU 10 Ca 0.26 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1j0q h GLU 10 Cb 0.48 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 1j0q h GLU 10 CO -0.07 -0.24 0.29 0.93 -0.73 0.00 0.00 179.01 179.19 1j0q h GLU 11 N -0.37 0.53 -0.19 1.92 4.39 -1.39 0.79 114.58 120.25 1j0q h GLU 11 Ca 0.04 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1j0q h GLU 11 Cb 0.47 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1j0q h GLU 11 CO -0.37 0.35 0.05 0.82 -1.16 0.00 0.00 179.01 178.70 1j0q h ILE 12 N 0.55 1.20 -0.06 3.13 2.04 -0.42 0.33 117.51 124.29 1j0q h ILE 12 Ca 0.25 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1j0q h ILE 12 Cb 0.17 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1j0q h ILE 12 CO -0.18 0.20 -0.10 1.56 0.00 0.00 0.00 178.15 179.64 1j0q h GLN 13 N 0.13 -0.13 -0.78 2.37 1.08 -0.51 -2.32 115.11 114.96 1j0q h GLN 13 Ca 0.06 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.40 1j0q h GLN 13 Cb 0.26 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 1j0q h GLN 13 CO -0.00 -0.09 0.51 -0.22 -0.95 0.00 0.00 178.83 178.08 1j0q h LYS 14 N -0.14 0.53 -3.16 1.46 3.64 -0.32 -2.56 116.57 116.03 1j0q h LYS 14 Ca 0.06 -0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 58.73 1j0q h LYS 14 Cb 0.22 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1j0q h LYS 14 CO -0.14 0.35 3.74 0.72 -2.27 0.00 0.00 179.45 181.85 1j0q n HIS 15 N -4.50 2.56 -3.39 1.91 8.25 0.11 -4.49 115.22 115.67 1j0q n HIS 15 Ca 0.14 -3.06 -0.26 0.00 -0.26 0.00 0.00 57.72 54.28 1j0q n HIS 15 Cb 0.46 -2.49 -0.10 0.00 1.12 0.00 0.00 29.99 28.97 1j0q n HIS 15 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1j0q s ASN 16 N 2.35 1.87 -0.10 0.41 3.84 -0.97 -0.84 114.94 121.51 1j0q s ASN 16 Ca 0.66 -2.59 0.04 0.00 0.21 0.00 0.00 52.86 51.18 1j0q s ASN 16 Cb 0.17 -0.27 0.12 0.00 -0.55 0.00 0.00 41.25 40.72 1j0q s ASN 16 CO -0.06 -0.22 1.16 -3.20 -2.79 0.00 0.00 177.10 171.98 1j0q n ASN 17 N 3.40 -1.13 0.00 -4.21 2.85 -1.26 -5.02 115.26 109.88 1j0q n ASN 17 Ca 0.21 -2.06 0.00 0.00 -0.11 0.00 0.00 54.58 52.62 1j0q n ASN 17 Cb 0.44 0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.87 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1j0q n SER 18 N -0.45 0.00 -0.08 1.20 2.88 -1.26 -4.74 113.62 111.17 1j0q n SER 18 Ca -0.25 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1j0q n SER 18 Cb 0.75 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.22 1j0q n SER 18 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1j0q n LYS 19 N 0.00 -0.05 -2.72 -1.46 2.85 -1.26 -3.60 118.16 111.93 1j0q n LYS 19 Ca 0.00 0.31 -0.04 0.00 -1.05 0.00 0.00 58.31 57.53 1j0q n LYS 19 Cb 0.00 -0.46 0.03 0.00 -0.65 0.00 0.00 35.03 33.94 1j0q n LYS 19 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1j0q n SER 20 N -4.30 -2.49 -4.54 -5.58 3.41 -1.26 -4.95 113.62 93.92 1j0q n SER 20 Ca 0.02 -2.05 -0.43 0.00 -0.26 0.00 0.00 58.87 56.15 1j0q n SER 20 Cb 0.08 1.28 -0.06 0.00 -0.26 0.00 0.00 64.21 65.25 1j0q n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j0q s THR 21 N 0.87 4.80 0.06 6.66 2.01 -1.24 -4.52 115.64 124.28 1j0q s THR 21 Ca 0.27 0.33 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 1j0q s THR 21 Cb 0.08 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1j0q s THR 21 CO -0.09 -0.55 0.27 0.26 -0.69 0.00 0.00 174.62 173.82 1j0q s TRP 22 N 2.91 3.52 0.17 4.92 0.52 -0.02 -1.95 118.94 129.02 1j0q s TRP 22 Ca 0.25 0.43 -0.09 0.00 0.02 0.00 0.00 56.10 56.70 1j0q s TRP 22 Cb -0.14 -1.89 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 1j0q s TRP 22 CO 0.19 0.56 0.30 -0.51 0.02 0.00 0.00 176.95 177.51 1j0q s LEU 23 N -2.30 0.89 -0.26 2.99 1.02 -0.12 0.14 118.68 121.04 1j0q s LEU 23 Ca 0.34 -0.85 -0.08 0.00 0.02 0.00 0.00 54.13 53.55 1j0q s LEU 23 Cb -0.13 1.26 -0.03 0.00 0.02 0.00 0.00 46.19 47.31 1j0q s LEU 23 CO 0.23 -0.91 0.11 -0.63 0.02 0.00 0.00 176.35 175.17 1j0q s ILE 24 N -3.96 4.59 -0.51 -0.59 -1.09 -0.08 -1.63 121.20 117.92 1j0q s ILE 24 Ca 0.17 -0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.52 1j0q s ILE 24 Cb 0.03 -3.17 0.14 0.00 -1.58 0.00 0.00 42.46 37.87 1j0q s ILE 24 CO 0.00 0.29 0.27 -0.76 -1.23 0.00 0.00 174.94 173.52 1j0q s LEU 25 N 1.65 3.76 -0.22 2.97 1.02 -0.96 -1.21 118.68 125.70 1j0q s LEU 25 Ca 0.06 -2.96 -0.01 0.00 0.02 0.00 0.00 54.13 51.24 1j0q s LEU 25 Cb -0.15 -1.42 -0.01 0.00 0.02 0.00 0.00 46.19 44.62 1j0q s LEU 25 CO 0.06 -0.23 0.19 1.41 0.02 0.00 0.00 176.35 177.80 1j0q n HIS 26 N 3.15 -0.54 -4.09 0.29 8.25 -1.26 -3.93 115.22 117.08 1j0q n HIS 26 Ca 0.08 0.19 -0.32 0.00 -0.26 0.00 0.00 57.72 57.41 1j0q n HIS 26 Cb 0.33 -2.78 -0.02 0.00 1.12 0.00 0.00 29.99 28.65 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 -1.81 -1.77 -3.75 4.41 4.01 -1.26 -4.95 117.16 112.04 1j0q n TYR 27 Ca -0.01 0.79 -0.13 0.00 -0.16 0.00 0.00 57.90 58.38 1j0q n TYR 27 Cb 0.52 -3.35 -0.09 0.00 -0.31 0.00 0.00 39.34 36.11 1j0q n TYR 27 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1j0q s LYS 28 N -6.77 0.60 -0.05 -0.72 2.47 -1.25 -4.07 119.74 109.95 1j0q s LYS 28 Ca 0.46 0.06 0.03 0.00 -1.56 0.00 0.00 55.97 54.97 1j0q s LYS 28 Cb -0.25 0.27 -0.03 0.00 -1.46 0.00 0.00 37.83 36.37 1j0q s LYS 28 CO 0.90 -0.14 -0.13 0.08 0.16 0.00 0.00 175.35 176.22 1j0q s VAL 29 N -0.81 3.17 -0.18 4.02 1.01 -0.42 -2.27 120.40 124.92 1j0q s VAL 29 Ca -0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1j0q s VAL 29 Cb -0.04 -2.25 0.06 0.00 0.00 0.00 0.00 36.38 34.15 1j0q s VAL 29 CO 0.03 0.59 0.07 -0.31 0.00 0.00 0.00 175.10 175.48 1j0q s TYR 30 N -0.74 0.57 -0.05 5.22 2.02 -0.64 -2.23 117.35 121.50 1j0q s TYR 30 Ca 0.11 -0.57 -0.19 0.00 -0.37 0.00 0.00 57.07 56.06 1j0q s TYR 30 Cb -0.11 -0.85 -0.05 0.00 -0.40 0.00 0.00 41.96 40.55 1j0q s TYR 30 CO 0.01 -0.56 0.52 0.34 -1.57 0.00 0.00 175.55 174.29 1j0q s ASP 31 N 2.01 6.83 -0.33 2.29 -1.08 -1.23 -0.94 116.67 124.22 1j0q s ASP 31 Ca 0.01 0.99 0.15 0.00 -0.52 0.00 0.00 52.55 53.18 1j0q s ASP 31 Cb -0.16 -2.32 0.43 0.00 -1.46 0.00 0.00 42.92 39.41 1j0q s ASP 31 CO -0.09 0.09 1.43 0.00 0.52 0.00 0.00 175.17 177.13 1j0q n LEU 32 N 2.97 -0.84 -0.26 -1.34 -0.00 -0.82 -4.82 117.00 111.90 1j0q n LEU 32 Ca -0.08 -3.21 -0.01 0.00 -0.00 0.00 0.00 56.01 52.71 1j0q n LEU 32 Cb 0.51 0.17 0.06 0.00 -0.00 0.00 0.00 43.42 44.16 1j0q n LEU 32 CO 0.42 1.59 0.67 0.74 -0.00 0.00 0.00 177.39 180.82 1j0q h THR 33 N 4.14 0.19 0.00 1.47 2.02 -1.84 0.17 112.91 119.06 1j0q h THR 33 Ca -0.37 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1j0q h THR 33 Cb 1.29 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1j0q h THR 33 CO -0.09 0.00 -0.09 0.50 0.37 0.00 0.00 175.52 176.21 1j0q h LYS 34 N -0.05 0.00 0.00 6.66 3.11 -1.92 -2.23 116.57 122.14 1j0q h LYS 34 Ca 0.32 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.97 1j0q h LYS 34 Cb 0.56 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.76 1j0q h LYS 34 CO -0.78 0.09 -1.02 0.35 -2.81 0.00 0.00 179.45 175.29 1j0q h PHE 35 N 0.00 0.00 -0.93 1.91 3.57 -1.09 -3.25 116.94 117.15 1j0q h PHE 35 Ca -0.00 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.78 1j0q h PHE 35 Cb 0.22 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.81 1j0q h PHE 35 CO 0.00 0.86 0.27 -0.07 -2.23 0.00 0.00 178.31 177.14 1j0q h LEU 36 N 0.00 -0.01 -0.76 0.59 3.38 -0.66 0.38 115.31 118.23 1j0q h LEU 36 Ca -0.06 0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1j0q h LEU 36 Cb 1.71 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 42.68 1j0q h LEU 36 CO 0.10 -0.24 0.39 -0.33 0.09 0.00 0.00 178.44 178.45 1j0q h GLU 37 N 0.15 0.61 0.01 1.13 5.08 -1.67 -3.23 114.58 116.66 1j0q h GLU 37 Ca 0.62 -0.04 -0.36 0.00 -1.00 0.00 0.00 59.36 58.59 1j0q h GLU 37 Cb 1.36 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1j0q h GLU 37 CO -0.73 0.40 -2.29 -1.91 -1.00 0.00 0.00 179.01 173.49 1j0q n GLU 38 N -4.85 0.68 -1.66 2.33 2.13 1.00 -4.97 120.64 115.29 1j0q n GLU 38 Ca 0.13 0.08 -0.51 0.00 0.66 0.00 0.00 57.16 57.51 1j0q n GLU 38 Cb 0.32 -1.57 -0.06 0.00 0.27 0.00 0.00 31.44 30.40 1j0q n GLU 38 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1j0q n HIS 39 N -2.92 1.99 -0.33 4.31 -0.00 0.71 -4.90 115.22 114.07 1j0q n HIS 39 Ca -0.33 0.40 0.15 0.00 0.46 0.00 0.00 57.72 58.39 1j0q n HIS 39 Cb 1.11 -2.48 0.37 0.00 -0.12 0.00 0.00 29.99 28.87 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 6.47 0.66 0.00 1.57 0.11 -1.92 0.16 132.00 139.05 1j0q h PRO 40 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1j0q h PRO 40 Cb 1.30 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1j0q h PRO 40 CO 0.88 0.44 0.00 0.78 -0.21 0.00 0.00 178.00 179.89 1j0q h GLY 41 N 0.68 0.00 -0.43 -0.55 0.00 -1.95 -3.49 103.07 97.33 1j0q h GLY 41 Ca 0.56 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.94 1j0q h GLY 41 CO -0.33 0.00 -0.07 0.61 0.00 0.00 0.00 176.54 176.75 1j0q n GLY 42 N -0.39 -1.94 0.04 4.60 0.00 0.55 -4.64 105.19 103.41 1j0q n GLY 42 Ca 0.01 -1.36 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 0.00 -0.58 1.61 4.81 -1.85 -3.38 114.58 115.19 1j0q h GLU 43 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1j0q h GLU 43 Cb 0.18 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 1j0q h GLU 43 CO 0.00 0.00 -0.36 0.93 -0.73 0.00 0.00 179.01 178.85 1j0q h GLU 44 N -0.67 -0.03 0.00 1.92 4.39 -1.93 0.43 114.58 118.69 1j0q h GLU 44 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j0q h GLU 44 Cb 0.09 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1j0q h GLU 44 CO 0.00 -0.02 0.00 -0.24 -1.16 0.00 0.00 179.01 177.59 1j0q h VAL 45 N -0.03 0.00 0.09 3.13 3.04 -1.83 0.94 116.25 121.59 1j0q h VAL 45 Ca 0.09 -0.13 -0.30 0.00 -1.01 0.00 0.00 66.70 65.35 1j0q h VAL 45 Cb 0.27 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1j0q h VAL 45 CO -0.56 0.00 -1.59 0.25 -1.01 0.00 0.00 177.57 174.66 1j0q h LEU 46 N 0.00 0.31 -1.11 3.16 5.85 -0.52 -3.32 115.31 119.68 1j0q h LEU 46 Ca 0.00 -0.81 0.01 0.00 0.84 0.00 0.00 57.88 57.92 1j0q h LEU 46 Cb 0.15 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1j0q h LEU 46 CO 0.00 1.68 0.60 -0.09 -0.34 0.00 0.00 178.44 180.29 1j0q h ARG 47 N -0.32 1.19 -0.82 1.25 2.43 0.15 0.50 114.38 118.76 1j0q h ARG 47 Ca -0.36 -0.07 0.19 0.00 -0.81 0.00 0.00 59.98 58.93 1j0q h ARG 47 Cb 1.76 -0.27 -0.15 0.00 -0.42 0.00 0.00 29.97 30.89 1j0q h ARG 47 CO 0.01 0.79 -0.04 1.49 -1.51 0.00 0.00 179.97 180.70 1j0q h GLU 48 N 1.23 0.06 0.01 0.20 4.81 -0.99 -2.58 114.58 117.31 1j0q h GLU 48 Ca 0.33 -0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.32 1j0q h GLU 48 Cb -0.14 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1j0q h GLU 48 CO -0.07 0.04 -1.23 1.96 -0.73 0.00 0.00 179.01 178.97 1j0q h GLN 49 N 0.06 0.02 -6.33 1.92 1.08 -1.16 -3.47 115.11 107.22 1j0q h GLN 49 Ca 0.44 -0.03 -0.59 0.00 -1.45 0.00 0.00 58.65 57.02 1j0q h GLN 49 Cb 0.79 0.01 0.17 0.00 -0.05 0.00 0.00 27.48 28.40 1j0q h GLN 49 CO -0.76 0.86 -0.61 0.00 -0.95 0.00 0.00 178.83 177.37 1j0q n ALA 50 N -2.43 -1.74 -0.78 3.87 0.00 -0.01 -3.27 120.51 116.14 1j0q n ALA 50 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1j0q n ALA 50 Cb 0.98 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.99 0.59 0.00 0.00 0.00 0.12 -4.85 105.19 103.04 1j0q n GLY 51 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.78 -0.94 3.51 -0.02 0.00 -1.20 -3.26 105.19 100.49 1j0q n GLY 52 Ca 0.00 0.67 -0.42 0.00 0.00 0.00 0.00 46.02 46.28 1j0q n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j0q n ASP 53 N 0.00 1.71 -0.30 1.61 -0.08 -1.25 -0.91 116.55 117.34 1j0q n ASP 53 Ca 0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1j0q n ASP 53 Cb 0.00 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.15 1j0q n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j0q n ALA 54 N 12.67 1.59 -0.06 -1.67 0.00 -0.98 -4.54 120.51 127.53 1j0q n ALA 54 Ca 0.46 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 1j0q n ALA 54 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 5.07 0.00 -0.18 0.00 2.02 -1.43 -2.96 112.91 115.43 1j0q h THR 55 Ca 0.00 -0.97 0.04 0.00 0.77 0.00 0.00 66.41 66.25 1j0q h THR 55 Cb 1.18 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1j0q h THR 55 CO 0.00 0.00 -0.50 1.05 0.37 0.00 0.00 175.52 176.44 1j0q h GLU 56 N -0.97 -0.50 -0.66 6.66 9.09 -1.94 0.65 114.58 126.91 1j0q h GLU 56 Ca 0.00 0.03 0.11 0.00 0.05 0.00 0.00 59.36 59.56 1j0q h GLU 56 Cb 0.18 0.11 -0.11 0.00 -1.65 0.00 0.00 28.75 27.28 1j0q h GLU 56 CO 0.00 -0.33 -0.22 0.09 0.05 0.00 0.00 179.01 178.59 1j0q n ASN 57 N -5.43 -0.36 -0.11 3.06 3.02 -1.26 -0.24 115.26 113.94 1j0q n ASN 57 Ca -0.05 1.15 -0.09 0.00 -0.03 0.00 0.00 54.58 55.56 1j0q n ASN 57 Cb 0.37 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 1j0q n ASN 57 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1j0q h PHE 58 N 0.00 0.47 0.02 3.10 3.57 -0.70 -2.37 116.94 121.03 1j0q h PHE 58 Ca 0.26 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1j0q h PHE 58 Cb 0.43 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1j0q h PHE 58 CO -0.56 0.37 -0.01 0.93 -2.23 0.00 0.00 178.31 176.81 1j0q h GLU 59 N 0.44 -0.03 -0.64 1.11 4.39 -0.46 0.85 114.58 120.25 1j0q h GLU 59 Ca 0.12 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.90 1j0q h GLU 59 Cb 0.04 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.61 1j0q h GLU 59 CO -0.02 0.72 -0.32 -3.47 -1.16 0.00 0.00 179.01 174.77 1j0q n ASP 60 N -4.70 -0.55 -0.07 1.42 2.03 0.67 -0.66 116.55 114.69 1j0q n ASP 60 Ca -0.08 1.12 -0.13 0.00 0.52 0.00 0.00 54.79 56.22 1j0q n ASP 60 Cb 0.37 -0.20 -0.06 0.00 -0.72 0.00 0.00 41.12 40.51 1j0q n ASP 60 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1j0q h HIS 61 N 0.00 0.54 -0.11 -0.67 3.86 -1.44 -3.49 115.15 113.85 1j0q h HIS 61 Ca 0.16 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1j0q h HIS 61 Cb 0.32 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1j0q h HIS 61 CO -0.61 0.80 0.00 0.41 0.86 0.00 0.00 177.93 179.39 1j0q n GLY 62 N 0.13 0.51 3.76 2.45 0.00 0.19 -5.05 105.19 107.18 1j0q n GLY 62 Ca -0.05 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.14 2.83 1.05 1.61 3.76 -0.56 -4.98 115.29 117.86 1j0q s HIS 63 Ca 0.00 1.08 -0.15 0.00 -0.15 0.00 0.00 55.06 55.85 1j0q s HIS 63 Cb 0.00 -3.92 0.21 0.00 1.11 0.00 0.00 32.58 29.99 1j0q s HIS 63 CO 0.00 -2.84 1.12 0.45 -0.85 0.00 0.00 174.74 172.62 1j0q s SER 64 N 0.08 2.21 0.24 1.40 0.15 -1.26 -4.69 113.70 111.82 1j0q s SER 64 Ca 0.56 0.91 -0.05 0.00 0.70 0.00 0.00 55.95 58.07 1j0q s SER 64 Cb -0.44 -1.39 0.39 0.00 -1.71 0.00 0.00 66.02 62.87 1j0q s SER 64 CO 0.52 -3.36 1.76 0.00 1.20 0.00 0.00 173.24 173.37 1j0q h THR 65 N -2.05 0.79 -0.63 6.45 1.03 -1.98 0.53 112.91 117.04 1j0q h THR 65 Ca -0.51 -0.20 0.10 0.00 -0.01 0.00 0.00 66.41 65.80 1j0q h THR 65 Cb 1.32 0.17 -0.11 0.00 -1.07 0.00 0.00 68.15 68.45 1j0q h THR 65 CO 0.50 0.10 -0.42 0.44 -0.01 0.00 0.00 175.52 176.14 1j0q h ASP 66 N 0.57 -1.45 -0.26 0.00 5.19 -1.99 0.28 116.42 118.76 1j0q h ASP 66 Ca 0.38 0.25 -0.08 0.00 -0.62 0.00 0.00 57.03 56.96 1j0q h ASP 66 Cb 0.47 0.68 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 1j0q h ASP 66 CO -0.31 -0.32 -0.17 0.00 -3.12 0.00 0.00 179.24 175.32 1j0q h ALA 67 N 0.75 0.37 -0.09 3.45 0.00 -1.66 -0.35 119.26 121.74 1j0q h ALA 67 Ca 0.20 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1j0q h ALA 67 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1j0q h ALA 67 CO -0.72 0.28 -0.21 0.00 0.00 0.00 0.00 179.25 178.60 1j0q h ARG 68 N 0.30 -0.19 -0.79 0.00 -0.00 -0.41 0.89 114.38 114.18 1j0q h ARG 68 Ca 0.05 0.01 0.12 0.00 -0.50 0.00 0.00 59.98 59.67 1j0q h ARG 68 Cb 0.70 0.04 -0.13 0.00 0.00 0.00 0.00 29.97 30.58 1j0q h ARG 68 CO 0.05 -0.13 -0.38 1.49 0.00 0.00 0.00 179.97 181.00 1j0q h GLU 69 N -0.20 -0.09 -0.84 0.04 4.57 -0.41 0.46 114.58 118.12 1j0q h GLU 69 Ca 0.02 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.35 1j0q h GLU 69 Cb 0.25 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.77 1j0q h GLU 69 CO -0.19 -0.06 0.43 -0.07 -1.18 0.00 0.00 179.01 177.94 1j0q h LEU 70 N -0.09 0.52 -0.81 1.64 -0.00 -0.62 -0.28 115.31 115.68 1j0q h LEU 70 Ca 0.28 0.09 0.03 0.00 -0.00 0.00 0.00 57.88 58.27 1j0q h LEU 70 Cb 0.57 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.19 1j0q h LEU 70 CO -0.83 0.22 0.52 0.77 -0.00 0.00 0.00 178.44 179.12 1j0q h SER 71 N 0.62 0.87 -0.30 -0.43 4.64 0.14 -0.38 113.55 118.71 1j0q h SER 71 Ca 0.46 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.84 1j0q h SER 71 Cb 0.64 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 62.46 1j0q h SER 71 CO -0.36 0.61 -0.17 0.11 -0.87 0.00 0.00 176.83 176.15 1j0q h LYS 72 N 1.03 -0.12 -1.00 4.77 1.57 -0.51 0.41 116.57 122.71 1j0q h LYS 72 Ca 0.32 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.28 1j0q h LYS 72 Cb -0.02 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.22 1j0q h LYS 72 CO -0.10 -0.08 0.62 1.15 -0.57 0.00 0.00 179.45 180.46 1j0q h THR 73 N -0.13 0.76 -0.01 -0.16 2.02 -0.78 -1.00 112.91 113.61 1j0q h THR 73 Ca 0.16 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1j0q h THR 73 Cb 0.37 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1j0q h THR 73 CO -0.38 0.15 -0.07 0.49 0.37 0.00 0.00 175.52 176.08 1j0q n PHE 74 N -4.72 0.00 -1.68 3.16 3.72 -0.00 -4.91 117.46 113.03 1j0q n PHE 74 Ca 0.22 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 57.13 1j0q n PHE 74 Cb 0.53 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.57 0.36 0.10 4.37 5.41 -0.38 -3.51 119.36 125.14 1j0q n ILE 75 Ca 0.18 -0.07 0.01 0.00 1.00 0.00 0.00 62.75 63.88 1j0q n ILE 75 Cb 0.27 -1.62 -0.02 0.00 -0.71 0.00 0.00 39.64 37.56 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 4.47 0.00 -0.15 1.39 -5.35 -0.95 -4.98 119.36 113.79 1j0q n ILE 76 Ca 0.22 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1j0q n ILE 76 Cb 0.26 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 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 1.45 -1.97 3.13 3.28 0.00 -1.23 -4.95 105.19 104.89 1j0q n GLY 77 Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.96 0.64 -0.45 1.61 2.02 -1.26 -1.30 118.70 118.00 1j0q s GLU 78 Ca 0.00 -0.85 -0.28 0.00 0.02 0.00 0.00 54.97 53.86 1j0q s GLU 78 Cb 0.00 0.25 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 1j0q s GLU 78 CO 0.00 -0.16 1.67 -1.17 0.02 0.00 0.00 175.26 175.62 1j0q s LEU 79 N -2.37 3.45 -0.08 1.80 1.98 -1.26 -0.48 118.68 121.73 1j0q s LEU 79 Ca -0.01 0.80 -0.31 0.00 -2.89 0.00 0.00 54.13 51.72 1j0q s LEU 79 Cb 0.01 -3.20 -0.09 0.00 0.66 0.00 0.00 46.19 43.57 1j0q s LEU 79 CO -0.07 -1.82 2.01 1.57 -1.89 0.00 0.00 176.35 176.16 1j0q n HIS 80 N 10.48 2.29 0.27 5.38 -0.00 0.21 -4.80 115.22 129.04 1j0q n HIS 80 Ca 0.19 -0.17 0.16 0.00 -0.00 0.00 0.00 57.72 57.90 1j0q n HIS 80 Cb 0.49 -2.73 0.78 0.00 -0.00 0.00 0.00 29.99 28.52 1j0q n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1j0q h PRO 81 N 11.23 0.00 -0.58 1.57 0.11 -1.91 0.43 132.00 142.85 1j0q h PRO 81 Ca -0.46 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1j0q h PRO 81 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1j0q h PRO 81 CO 0.95 0.00 0.40 0.22 -0.21 0.00 0.00 178.00 179.36 1j0q h ASP 82 N 0.00 0.25 -0.06 -2.05 3.58 -2.00 -2.83 116.42 113.31 1j0q h ASP 82 Ca 0.00 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1j0q h ASP 82 Cb 0.13 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1j0q h ASP 82 CO 0.00 0.14 -0.04 -0.67 -2.88 0.00 0.00 179.24 175.80 1j0q n ASP 83 N -4.45 -0.06 -0.64 2.28 2.03 0.14 -5.19 116.55 110.65 1j0q n ASP 83 Ca 0.10 0.86 0.13 0.00 0.52 0.00 0.00 54.79 56.41 1j0q n ASP 83 Cb 0.46 -0.39 0.38 0.00 -0.72 0.00 0.00 41.12 40.85 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17