#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 1.29 -0.20 0.00 -7.23 -1.26 -5.02 120.40 107.98 1j0q s VAL 4 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 1j0q s VAL 4 Cb 0.00 -2.02 -0.07 0.00 0.56 0.00 0.00 36.38 34.85 1j0q s VAL 4 CO 0.00 0.00 -0.35 0.29 -0.31 0.00 0.00 175.10 174.73 1j0q n LYS 5 N -5.64 0.54 -1.62 4.82 4.01 -1.26 -5.13 118.16 113.89 1j0q n LYS 5 Ca 0.11 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.13 1j0q n LYS 5 Cb 0.59 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 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 -4.39 -4.30 -3.69 2.13 4.01 -1.26 -4.97 117.16 104.69 1j0q n TYR 6 Ca -0.24 2.32 -0.10 0.00 -0.16 0.00 0.00 57.90 59.72 1j0q n TYR 6 Cb 0.61 -3.55 -0.10 0.00 -0.31 0.00 0.00 39.34 35.99 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 -4.99 -0.68 0.26 -0.72 1.51 0.68 -4.75 117.35 108.67 1j0q s TYR 7 Ca 0.00 1.43 -0.15 0.00 -1.01 0.00 0.00 57.07 57.35 1j0q s TYR 7 Cb 0.00 0.33 -0.08 0.00 -0.11 0.00 0.00 41.96 42.10 1j0q s TYR 7 CO 0.00 -0.37 0.67 0.95 -1.11 0.00 0.00 175.55 175.69 1j0q s THR 8 N 1.43 4.73 0.40 -0.71 -4.23 -1.26 -0.71 115.64 115.28 1j0q s THR 8 Ca -0.09 0.90 0.17 0.00 -1.18 0.00 0.00 61.69 61.48 1j0q s THR 8 Cb -0.08 -3.67 0.38 0.00 1.34 0.00 0.00 72.50 70.46 1j0q s THR 8 CO -0.14 -0.03 1.82 0.25 -0.54 0.00 0.00 174.62 175.98 1j0q h LEU 9 N 2.70 0.47 -0.56 4.79 6.46 -1.94 0.42 115.31 127.64 1j0q h LEU 9 Ca -0.48 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.39 1j0q h LEU 9 Cb 1.18 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 41.02 1j0q h LEU 9 CO 0.66 0.16 -0.33 1.21 -0.62 0.00 0.00 178.44 179.51 1j0q n GLU 10 N -4.57 -0.25 -0.22 1.25 4.07 -1.26 -0.38 120.64 119.28 1j0q n GLU 10 Ca 0.22 1.16 -0.08 0.00 -0.06 0.00 0.00 57.16 58.40 1j0q n GLU 10 Cb 0.75 -1.72 0.04 0.00 -0.06 0.00 0.00 31.44 30.45 1j0q n GLU 10 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1j0q h GLU 11 N 0.00 1.08 -0.53 5.31 4.39 -0.68 0.37 114.58 124.53 1j0q h GLU 11 Ca 0.09 -0.32 -0.10 0.00 0.34 0.00 0.00 59.36 59.37 1j0q h GLU 11 Cb 0.23 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1j0q h GLU 11 CO -0.53 1.03 -0.05 0.82 -1.16 0.00 0.00 179.01 179.12 1j0q h ILE 12 N 1.00 1.27 -0.49 3.13 2.04 0.17 -0.49 117.51 124.14 1j0q h ILE 12 Ca 0.19 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1j0q h ILE 12 Cb 0.51 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1j0q h ILE 12 CO 0.02 0.41 0.18 1.56 0.00 0.00 0.00 178.15 180.33 1j0q h GLN 13 N 0.83 0.74 -1.38 2.37 1.08 -0.69 -1.44 115.11 116.63 1j0q h GLN 13 Ca 0.14 -0.15 0.40 0.00 -1.45 0.00 0.00 58.65 57.60 1j0q h GLN 13 Cb 0.60 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.85 1j0q h GLN 13 CO 0.04 0.68 0.98 -0.22 -0.95 0.00 0.00 178.83 179.36 1j0q h LYS 14 N 0.65 0.03 -0.77 1.46 1.63 0.29 0.14 116.57 120.00 1j0q h LYS 14 Ca 0.16 -0.00 -0.42 0.00 -0.85 0.00 0.00 60.65 59.54 1j0q h LYS 14 Cb 0.23 -0.01 -0.24 0.00 -0.60 0.00 0.00 32.23 31.61 1j0q h LYS 14 CO -0.01 0.02 0.37 0.72 -3.45 0.00 0.00 179.45 177.10 1j0q n HIS 15 N -4.17 2.39 0.28 1.91 8.25 -0.31 -4.79 115.22 118.78 1j0q n HIS 15 Ca 0.31 -1.88 -0.07 0.00 -0.26 0.00 0.00 57.72 55.81 1j0q n HIS 15 Cb 1.42 -0.82 0.05 0.00 1.12 0.00 0.00 29.99 31.76 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 -1.11 3.39 -2.24 0.41 0.23 0.49 -0.77 115.26 115.66 1j0q n ASN 16 Ca 0.50 -2.49 -0.01 0.00 -0.53 0.00 0.00 54.58 52.05 1j0q n ASN 16 Cb 1.35 -0.63 0.01 0.00 -2.08 0.00 0.00 39.78 38.43 1j0q n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1j0q n ASN 17 N 0.07 -0.90 -3.59 0.53 2.85 -1.26 -4.71 115.26 108.25 1j0q n ASN 17 Ca 0.17 -1.46 -0.40 0.00 -0.11 0.00 0.00 54.58 52.78 1j0q n ASN 17 Cb 0.82 1.47 -0.03 0.00 1.24 0.00 0.00 39.78 43.28 1j0q n ASN 17 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1j0q n SER 18 N -0.94 3.81 0.01 1.20 3.41 -1.26 -2.85 113.62 117.00 1j0q n SER 18 Ca -0.01 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1j0q n SER 18 Cb 0.31 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1j0q n SER 18 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1j0q n LYS 19 N 6.06 0.00 -3.69 4.33 2.85 -1.26 -4.97 118.16 121.48 1j0q n LYS 19 Ca 0.52 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.59 1j0q n LYS 19 Cb 0.35 -0.04 -0.18 0.00 -0.65 0.00 0.00 35.03 34.52 1j0q n LYS 19 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1j0q s SER 20 N -4.67 0.96 -0.37 -5.58 0.01 -1.24 -5.07 113.70 97.73 1j0q s SER 20 Ca 0.00 0.07 -0.27 0.00 1.31 0.00 0.00 55.95 57.06 1j0q s SER 20 Cb 0.00 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.11 1j0q s SER 20 CO 0.00 -0.23 1.00 -0.89 0.41 0.00 0.00 173.24 173.54 1j0q s THR 21 N 1.96 4.50 0.15 1.44 2.01 -1.13 -4.56 115.64 120.01 1j0q s THR 21 Ca 0.02 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.43 1j0q s THR 21 Cb -0.12 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 1j0q s THR 21 CO -0.03 -0.60 0.18 0.26 -0.69 0.00 0.00 174.62 173.75 1j0q s TRP 22 N 3.69 3.27 0.21 4.92 0.52 0.05 -1.20 118.94 130.39 1j0q s TRP 22 Ca 0.42 0.04 -0.17 0.00 0.02 0.00 0.00 56.10 56.41 1j0q s TRP 22 Cb -0.11 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1j0q s TRP 22 CO 0.20 0.52 0.53 -0.48 0.02 0.00 0.00 176.95 177.74 1j0q s LEU 23 N -3.11 0.10 -0.23 2.99 0.05 0.02 -0.01 118.68 118.50 1j0q s LEU 23 Ca 0.32 -0.58 -0.08 0.00 0.05 0.00 0.00 54.13 53.84 1j0q s LEU 23 Cb -0.10 2.12 -0.04 0.00 -2.05 0.00 0.00 46.19 46.11 1j0q s LEU 23 CO 0.25 -1.10 0.10 -0.63 -0.55 0.00 0.00 176.35 174.43 1j0q s ILE 24 N -3.90 4.82 -0.47 1.48 -1.09 0.04 -0.76 121.20 121.32 1j0q s ILE 24 Ca 0.12 -0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1j0q s ILE 24 Cb -0.01 -3.23 0.14 0.00 -1.58 0.00 0.00 42.46 37.78 1j0q s ILE 24 CO 0.00 0.38 0.28 -0.76 -1.23 0.00 0.00 174.94 173.61 1j0q s LEU 25 N 1.04 2.76 -0.38 2.97 1.02 -1.00 -1.36 118.68 123.73 1j0q s LEU 25 Ca 0.05 -2.82 -0.02 0.00 0.02 0.00 0.00 54.13 51.36 1j0q s LEU 25 Cb -0.14 -1.02 -0.03 0.00 0.02 0.00 0.00 46.19 45.02 1j0q s LEU 25 CO 0.04 -0.23 0.34 1.41 0.02 0.00 0.00 176.35 177.92 1j0q n HIS 26 N 3.28 -0.90 0.00 0.29 8.25 -1.26 -4.03 115.22 120.85 1j0q n HIS 26 Ca 0.13 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 1j0q n HIS 26 Cb 0.36 -3.09 0.00 0.00 1.12 0.00 0.00 29.99 28.38 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 -2.13 0.00 -1.33 4.41 4.02 -1.26 -4.93 117.16 115.94 1j0q n TYR 27 Ca -0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 1j0q n TYR 27 Cb 0.54 -0.07 0.09 0.00 -0.02 0.00 0.00 39.34 39.89 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 2.25 -0.06 -0.72 3.01 -1.26 -0.88 119.74 122.08 1j0q s LYS 28 Ca 0.00 1.06 0.03 0.00 -1.01 0.00 0.00 55.97 56.04 1j0q s LYS 28 Cb 0.00 -1.90 -0.03 0.00 -1.01 0.00 0.00 37.83 34.89 1j0q s LYS 28 CO 0.00 -1.61 -0.12 0.08 0.51 0.00 0.00 175.35 174.21 1j0q s VAL 29 N -2.95 3.24 -0.06 3.17 1.01 0.09 -2.37 120.40 122.54 1j0q s VAL 29 Ca 0.61 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1j0q s VAL 29 Cb -0.16 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1j0q s VAL 29 CO 0.56 0.59 -0.01 -0.31 0.00 0.00 0.00 175.10 175.93 1j0q s TYR 30 N -0.68 0.59 -0.18 5.22 1.51 0.06 -1.55 117.35 122.32 1j0q s TYR 30 Ca 0.10 -0.12 -0.08 0.00 -1.01 0.00 0.00 57.07 55.96 1j0q s TYR 30 Cb -0.11 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1j0q s TYR 30 CO 0.01 -0.25 0.10 0.34 -1.11 0.00 0.00 175.55 174.64 1j0q s ASP 31 N 1.55 5.99 0.00 2.29 -1.08 -0.74 -0.80 116.67 123.88 1j0q s ASP 31 Ca -0.02 0.20 0.04 0.00 -0.52 0.00 0.00 52.55 52.26 1j0q s ASP 31 Cb -0.13 -2.02 0.12 0.00 -1.46 0.00 0.00 42.92 39.43 1j0q s ASP 31 CO -0.03 0.21 1.07 0.18 0.52 0.00 0.00 175.17 177.12 1j0q n LEU 32 N 3.30 2.30 -0.24 -1.34 4.77 -0.34 -4.77 117.00 120.68 1j0q n LEU 32 Ca -0.17 -1.92 0.05 0.00 -0.03 0.00 0.00 56.01 53.94 1j0q n LEU 32 Cb 0.52 -0.09 0.17 0.00 -2.33 0.00 0.00 43.42 41.69 1j0q n LEU 32 CO 0.35 0.57 0.90 0.74 -1.33 0.00 0.00 177.39 178.62 1j0q h THR 33 N 0.83 0.48 -0.01 -5.08 2.02 -1.94 0.69 112.91 109.89 1j0q h THR 33 Ca 0.00 -0.07 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 1j0q h THR 33 Cb 0.56 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1j0q h THR 33 CO 0.00 0.04 -0.55 0.07 0.37 0.00 0.00 175.52 175.45 1j0q h LYS 34 N 0.21 0.04 0.00 6.66 5.09 -1.97 -3.23 116.57 123.37 1j0q h LYS 34 Ca 0.40 -0.02 -0.13 0.00 0.09 0.00 0.00 60.65 60.99 1j0q h LYS 34 Cb 0.69 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.00 1j0q h LYS 34 CO -0.54 0.58 -0.62 0.35 -2.09 0.00 0.00 179.45 177.13 1j0q h PHE 35 N 0.03 0.00 -0.87 0.07 3.57 -0.09 -3.08 116.94 116.57 1j0q h PHE 35 Ca -0.00 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.77 1j0q h PHE 35 Cb 0.98 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.56 1j0q h PHE 35 CO 0.00 0.62 0.15 1.28 -2.23 0.00 0.00 178.31 178.14 1j0q n LEU 36 N -3.64 0.02 0.03 0.59 4.77 0.28 -0.13 117.00 118.91 1j0q n LEU 36 Ca -0.01 1.46 -0.12 0.00 -0.03 0.00 0.00 56.01 57.32 1j0q n LEU 36 Cb 0.65 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1j0q n LEU 36 CO 0.42 -1.53 0.87 -0.33 -1.33 0.00 0.00 177.39 175.49 1j0q h GLU 37 N 0.00 0.02 0.04 3.23 5.08 -1.74 -3.33 114.58 117.87 1j0q h GLU 37 Ca 0.59 -0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.69 1j0q h GLU 37 Cb 1.35 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1j0q h GLU 37 CO -0.77 0.03 -1.34 0.93 -1.00 0.00 0.00 179.01 176.85 1j0q h GLU 38 N 0.01 0.07 -6.39 2.33 5.08 -0.68 -3.48 114.58 111.53 1j0q h GLU 38 Ca 0.01 -0.13 -0.58 0.00 -1.00 0.00 0.00 59.36 57.66 1j0q h GLU 38 Cb 0.01 0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.34 1j0q h GLU 38 CO -0.00 0.90 1.07 1.58 -1.00 0.00 0.00 179.01 181.56 1j0q n HIS 39 N -3.30 2.42 -0.28 4.33 -0.00 0.53 -4.90 115.22 114.02 1j0q n HIS 39 Ca -0.09 -0.05 0.09 0.00 0.46 0.00 0.00 57.72 58.12 1j0q n HIS 39 Cb 1.00 -2.68 0.33 0.00 -0.12 0.00 0.00 29.99 28.52 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 8.69 0.79 0.00 1.57 0.11 -1.91 0.13 132.00 141.37 1j0q h PRO 40 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1j0q h PRO 40 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1j0q h PRO 40 CO 0.94 0.52 0.00 0.41 -0.21 0.00 0.00 178.00 179.66 1j0q n GLY 41 N -1.41 -0.82 4.92 -0.55 0.00 -1.26 -5.00 105.19 101.07 1j0q n GLY 41 Ca 0.16 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.52 -1.73 0.07 -0.02 0.00 0.46 -4.62 105.19 98.83 1j0q n GLY 42 Ca 0.02 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.12 1.61 4.81 -1.86 -3.37 114.58 115.66 1j0q h GLU 43 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1j0q h GLU 43 Cb 0.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1j0q h GLU 43 CO 0.00 0.14 -0.07 0.39 -0.73 0.00 0.00 179.01 178.74 1j0q n GLU 44 N -4.66 -0.05 -0.06 1.92 -0.58 -1.26 0.41 120.64 116.37 1j0q n GLU 44 Ca -0.07 0.76 -0.00 0.00 -0.42 0.00 0.00 57.16 57.43 1j0q n GLU 44 Cb 0.22 -1.14 0.27 0.00 -0.57 0.00 0.00 31.44 30.23 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1j0q h VAL 45 N 0.00 1.19 -0.01 2.62 3.04 -1.84 0.38 116.25 121.63 1j0q h VAL 45 Ca 0.02 -0.69 -0.05 0.00 -1.01 0.00 0.00 66.70 64.97 1j0q h VAL 45 Cb 0.05 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.06 1j0q h VAL 45 CO -0.11 0.25 -0.22 0.25 -1.01 0.00 0.00 177.57 176.74 1j0q h LEU 46 N 0.64 0.02 0.00 3.16 5.85 -0.51 -1.25 115.31 123.22 1j0q h LEU 46 Ca 0.15 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1j0q h LEU 46 Cb 0.24 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1j0q h LEU 46 CO -0.00 0.23 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.11 1j0q h ARG 47 N 0.02 0.08 -0.82 1.25 2.43 0.14 -2.47 114.38 115.00 1j0q h ARG 47 Ca 0.00 -0.09 0.20 0.00 -0.81 0.00 0.00 59.98 59.28 1j0q h ARG 47 Cb 0.40 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 29.84 1j0q h ARG 47 CO 0.03 0.87 0.14 1.49 -1.51 0.00 0.00 179.97 180.99 1j0q h GLU 48 N -0.67 0.17 -0.00 0.20 4.57 -0.79 0.02 114.58 118.08 1j0q h GLU 48 Ca -0.02 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1j0q h GLU 48 Cb 0.92 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1j0q h GLU 48 CO 0.03 0.11 -0.08 0.94 -1.18 0.00 0.00 179.01 178.82 1j0q n GLN 49 N -5.27 0.12 -0.76 1.92 -0.06 -0.49 -4.90 117.38 107.93 1j0q n GLN 49 Ca 0.18 -0.02 -0.29 0.00 -2.00 0.00 0.00 57.00 54.87 1j0q n GLN 49 Cb 0.58 -1.50 0.24 0.00 -4.06 0.00 0.00 30.24 25.50 1j0q n GLN 49 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j0q s ALA 50 N -2.89 -0.05 0.00 1.69 0.00 -0.01 -4.06 121.76 116.44 1j0q s ALA 50 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1j0q s ALA 50 Cb 0.19 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1j0q s ALA 50 CO 0.54 -3.71 0.00 0.41 0.00 0.00 0.00 175.76 173.00 1j0q n GLY 51 N 0.13 2.86 0.00 0.00 0.00 0.98 -4.59 105.19 104.58 1j0q n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 -1.92 3.47 -0.02 0.00 -1.26 -3.54 105.19 99.92 1j0q n GLY 52 Ca 0.00 0.71 -0.32 0.00 0.00 0.00 0.00 46.02 46.41 1j0q n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j0q n ASP 53 N 0.00 3.04 0.00 1.61 9.92 -1.26 -0.78 116.55 129.07 1j0q n ASP 53 Ca 0.00 -2.70 0.00 0.00 -0.53 0.00 0.00 54.79 51.56 1j0q n ASP 53 Cb 0.00 -1.60 0.00 0.00 -0.64 0.00 0.00 41.12 38.88 1j0q n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j0q n ALA 54 N 12.58 1.87 0.04 2.24 0.00 -1.19 -4.79 120.51 131.26 1j0q n ALA 54 Ca 0.46 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 1j0q n ALA 54 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 0.06 1.07 -0.01 0.00 2.02 -1.43 -0.28 112.91 114.34 1j0q h THR 55 Ca 0.00 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1j0q h THR 55 Cb 0.03 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 1j0q h THR 55 CO 0.00 0.07 -0.48 -0.33 0.37 0.00 0.00 175.52 175.16 1j0q h GLU 56 N -0.16 -0.60 -0.63 6.66 5.08 -1.88 -0.13 114.58 122.92 1j0q h GLU 56 Ca -0.00 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1j0q h GLU 56 Cb 0.15 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.41 1j0q h GLU 56 CO 0.01 -0.40 -0.27 -0.97 -1.00 0.00 0.00 179.01 176.38 1j0q h ASN 57 N -0.62 -0.95 -0.98 1.42 -0.73 -1.83 0.32 115.58 112.22 1j0q h ASN 57 Ca 0.03 0.22 0.01 0.00 1.87 0.00 0.00 56.30 58.43 1j0q h ASN 57 Cb 0.69 0.52 -0.05 0.00 0.27 0.00 0.00 38.32 39.75 1j0q h ASN 57 CO -0.34 -0.28 0.64 0.15 -0.37 0.00 0.00 177.43 177.23 1j0q h PHE 58 N -0.10 1.24 0.00 0.67 3.57 0.08 -0.65 116.94 121.76 1j0q h PHE 58 Ca 0.27 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1j0q h PHE 58 Cb 0.54 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1j0q h PHE 58 CO -0.61 0.79 -0.00 0.93 -2.23 0.00 0.00 178.31 177.19 1j0q h GLU 59 N 1.33 -0.00 -0.30 1.11 5.08 0.05 -2.95 114.58 118.90 1j0q h GLU 59 Ca 0.36 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1j0q h GLU 59 Cb -0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1j0q h GLU 59 CO -0.08 -0.00 -0.18 -3.47 -1.00 0.00 0.00 179.01 174.29 1j0q n ASP 60 N -2.02 -0.32 0.04 1.42 2.03 0.10 -0.08 116.55 117.72 1j0q n ASP 60 Ca -0.00 0.59 0.07 0.00 0.52 0.00 0.00 54.79 55.97 1j0q n ASP 60 Cb 0.00 -0.10 0.31 0.00 -0.72 0.00 0.00 41.12 40.61 1j0q n ASP 60 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1j0q n HIS 61 N -4.09 0.21 -2.83 -0.67 8.25 -0.26 -4.86 115.22 110.97 1j0q n HIS 61 Ca 0.01 0.09 -0.07 0.00 -0.26 0.00 0.00 57.72 57.48 1j0q n HIS 61 Cb 0.08 -0.64 0.02 0.00 1.12 0.00 0.00 29.99 30.57 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 -0.36 0.50 3.68 -1.41 0.00 0.88 -4.96 105.19 103.53 1j0q n GLY 62 Ca 0.02 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.10 1.90 1.01 1.61 3.76 -1.11 -4.91 115.29 114.46 1j0q s HIS 63 Ca 0.18 -0.14 -0.11 0.00 -0.15 0.00 0.00 55.06 54.84 1j0q s HIS 63 Cb -0.08 -4.19 0.20 0.00 1.11 0.00 0.00 32.58 29.62 1j0q s HIS 63 CO 0.22 -5.03 1.10 -1.12 -0.85 0.00 0.00 174.74 169.06 1j0q s SER 64 N 3.22 2.13 0.31 1.40 0.01 -1.26 -4.60 113.70 114.91 1j0q s SER 64 Ca 0.83 1.97 0.04 0.00 1.31 0.00 0.00 55.95 60.10 1j0q s SER 64 Cb -0.45 -2.49 0.82 0.00 0.21 0.00 0.00 66.02 64.11 1j0q s SER 64 CO 0.38 -3.56 1.58 0.71 0.41 0.00 0.00 173.24 172.75 1j0q h THR 65 N -2.18 0.03 -0.26 1.44 1.35 -1.98 0.10 112.91 111.42 1j0q h THR 65 Ca -0.50 -0.01 -0.03 0.00 -0.55 0.00 0.00 66.41 65.32 1j0q h THR 65 Cb 1.29 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1j0q h THR 65 CO 0.44 0.00 0.03 0.44 -0.25 0.00 0.00 175.52 176.19 1j0q h ASP 66 N 0.02 0.41 -0.54 5.36 5.19 -1.98 0.26 116.42 125.14 1j0q h ASP 66 Ca 0.62 -0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 1j0q h ASP 66 Cb 1.34 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1j0q h ASP 66 CO -0.89 0.58 0.23 0.00 -3.12 0.00 0.00 179.24 176.04 1j0q h ALA 67 N 0.85 0.69 -0.21 3.45 0.00 -1.58 0.21 119.26 122.68 1j0q h ALA 67 Ca 0.08 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1j0q h ALA 67 Cb 0.34 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1j0q h ALA 67 CO 0.01 0.29 -0.29 0.00 0.00 0.00 0.00 179.25 179.26 1j0q h ARG 68 N 0.72 -0.30 -0.14 0.00 -0.00 -0.34 0.11 114.38 114.43 1j0q h ARG 68 Ca 0.18 0.02 0.05 0.00 -0.50 0.00 0.00 59.98 59.73 1j0q h ARG 68 Cb 0.17 0.07 -0.05 0.00 0.00 0.00 0.00 29.97 30.16 1j0q h ARG 68 CO -0.02 -0.20 -0.19 1.49 0.00 0.00 0.00 179.97 181.05 1j0q h GLU 69 N -0.32 -0.22 -0.90 0.04 4.57 -0.08 -0.28 114.58 117.38 1j0q h GLU 69 Ca 0.12 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.50 1j0q h GLU 69 Cb 0.51 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.04 1j0q h GLU 69 CO -0.39 -0.15 0.47 -0.07 -1.18 0.00 0.00 179.01 177.69 1j0q h LEU 70 N -0.23 0.53 -0.66 1.64 -0.00 -0.54 0.93 115.31 116.98 1j0q h LEU 70 Ca 0.10 0.12 0.06 0.00 -0.00 0.00 0.00 57.88 58.16 1j0q h LEU 70 Cb 0.38 0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.03 1j0q h LEU 70 CO -0.28 0.15 0.36 -1.28 -0.00 0.00 0.00 178.44 177.40 1j0q h SER 71 N 0.58 0.53 -0.31 -0.43 0.87 0.97 0.30 113.55 116.06 1j0q h SER 71 Ca 0.53 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 61.18 1j0q h SER 71 Cb 0.87 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.70 1j0q h SER 71 CO -0.43 0.34 -0.08 0.11 -0.53 0.00 0.00 176.83 176.25 1j0q h LYS 72 N 0.67 -0.00 -0.90 2.24 1.57 -0.14 0.53 116.57 120.55 1j0q h LYS 72 Ca 0.30 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.24 1j0q h LYS 72 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 1j0q h LYS 72 CO -0.19 -0.00 0.58 1.15 -0.57 0.00 0.00 179.45 180.42 1j0q h THR 73 N -0.00 0.77 -0.00 -0.16 2.02 -0.75 -1.27 112.91 113.51 1j0q h THR 73 Ca 0.15 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1j0q h THR 73 Cb 0.23 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1j0q h THR 73 CO -0.32 0.11 -0.20 0.49 0.37 0.00 0.00 175.52 175.97 1j0q n PHE 74 N -4.56 0.00 -1.65 3.16 3.72 0.05 -4.91 117.46 113.26 1j0q n PHE 74 Ca 0.18 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.12 1j0q n PHE 74 Cb 0.56 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.13 0.67 -0.01 4.37 5.41 -0.42 -1.79 119.36 126.45 1j0q n ILE 75 Ca 0.11 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1j0q n ILE 75 Cb 0.31 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 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 2.18 0.00 0.00 1.39 -5.35 -0.59 -4.88 119.36 112.10 1j0q n ILE 76 Ca 0.14 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1j0q n ILE 76 Cb 0.29 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 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 0.47 -0.70 3.25 3.28 0.00 -1.20 -4.86 105.19 105.44 1j0q n GLY 77 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 0.77 0.05 1.61 8.01 -1.26 -0.73 118.70 125.14 1j0q s GLU 78 Ca 0.00 -0.38 -0.30 0.00 0.01 0.00 0.00 54.97 54.30 1j0q s GLU 78 Cb 0.00 0.34 -0.08 0.00 -4.31 0.00 0.00 34.13 30.07 1j0q s GLU 78 CO 0.00 -0.24 1.81 -1.17 0.01 0.00 0.00 175.26 175.68 1j0q s LEU 79 N -1.79 4.39 1.11 1.80 1.98 -0.06 -0.23 118.68 125.89 1j0q s LEU 79 Ca -0.08 2.57 -0.13 0.00 -2.89 0.00 0.00 54.13 53.61 1j0q s LEU 79 Cb -0.02 -3.55 0.24 0.00 0.66 0.00 0.00 46.19 43.52 1j0q s LEU 79 CO -0.00 -0.98 0.95 1.57 -1.89 0.00 0.00 176.35 176.00 1j0q n HIS 80 N 6.64 -0.83 0.04 5.38 -0.00 0.11 -4.81 115.22 121.75 1j0q n HIS 80 Ca 0.18 -0.01 -0.21 0.00 -0.00 0.00 0.00 57.72 57.69 1j0q n HIS 80 Cb 0.41 -1.76 -0.14 0.00 -0.00 0.00 0.00 29.99 28.49 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 -2.46 0.29 -0.94 1.57 0.11 -1.93 -3.30 132.00 125.34 1j0q h PRO 81 Ca -0.57 -0.50 0.09 0.00 0.11 0.00 0.00 66.00 65.13 1j0q h PRO 81 Cb 1.32 0.19 -0.07 0.00 0.11 0.00 0.00 31.00 32.55 1j0q h PRO 81 CO 0.46 1.24 0.61 0.22 -0.21 0.00 0.00 178.00 180.32 1j0q h ASP 82 N -0.35 0.90 -0.11 -2.05 3.58 -2.00 -0.36 116.42 116.03 1j0q h ASP 82 Ca -0.18 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.30 1j0q h ASP 82 Cb 1.68 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.56 1j0q h ASP 82 CO 0.13 0.53 -0.06 0.47 -2.88 0.00 0.00 179.24 177.43 1j0q n ASP 83 N -4.54 -0.11 -0.38 2.28 8.00 -1.26 -5.18 116.55 115.36 1j0q n ASP 83 Ca 0.16 0.84 0.14 0.00 0.71 0.00 0.00 54.79 56.64 1j0q n ASP 83 Cb 0.28 -0.35 0.62 0.00 -0.02 0.00 0.00 41.12 41.65 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70