#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 -0.10 0.00 0.24 -1.26 -5.05 118.33 112.16 1j0q n VAL 4 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1j0q n VAL 4 Cb 0.00 -1.54 -0.07 0.00 -1.47 0.00 0.00 33.84 30.76 1j0q n VAL 4 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1j0q n LYS 5 N -0.23 0.43 -0.58 7.34 0.00 -1.26 -5.14 118.16 118.72 1j0q n LYS 5 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 58.31 58.49 1j0q n LYS 5 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1j0q n TYR 6 N -3.86 -1.60 -3.74 5.64 4.01 -1.26 -5.04 117.16 111.31 1j0q n TYR 6 Ca -0.40 0.86 -0.25 0.00 -0.16 0.00 0.00 57.90 57.96 1j0q n TYR 6 Cb 0.79 -1.68 -0.17 0.00 -0.31 0.00 0.00 39.34 37.96 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 -4.33 0.76 0.67 -0.72 2.02 0.07 -4.91 117.35 110.92 1j0q s TYR 7 Ca 0.00 -0.48 -0.11 0.00 -0.37 0.00 0.00 57.07 56.11 1j0q s TYR 7 Cb 0.00 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 1j0q s TYR 7 CO 0.00 -0.47 1.05 0.95 -1.57 0.00 0.00 175.55 175.51 1j0q s THR 8 N 1.94 4.20 0.33 -0.71 -4.23 -1.26 -0.60 115.64 115.30 1j0q s THR 8 Ca 0.02 0.71 0.06 0.00 -1.18 0.00 0.00 61.69 61.31 1j0q s THR 8 Cb -0.15 -3.57 0.31 0.00 1.34 0.00 0.00 72.50 70.43 1j0q s THR 8 CO -0.07 -0.93 1.85 0.25 -0.54 0.00 0.00 174.62 175.18 1j0q h LEU 9 N -0.58 0.75 0.08 4.79 6.46 -1.95 0.99 115.31 125.84 1j0q h LEU 9 Ca -0.44 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.38 1j0q h LEU 9 Cb 1.21 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 41.00 1j0q h LEU 9 CO 0.59 0.38 -0.45 -0.08 -0.62 0.00 0.00 178.44 178.26 1j0q h GLU 10 N 0.79 -0.60 -0.39 1.25 4.81 -1.99 0.16 114.58 118.62 1j0q h GLU 10 Ca 0.48 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.83 1j0q h GLU 10 Cb 0.66 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.10 1j0q h GLU 10 CO -0.24 -0.40 -0.18 0.93 -0.73 0.00 0.00 179.01 178.38 1j0q h GLU 11 N -0.63 -0.11 -0.41 1.92 5.08 -1.62 0.37 114.58 119.19 1j0q h GLU 11 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1j0q h GLU 11 Cb 0.64 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1j0q h GLU 11 CO -0.26 -0.07 0.21 0.82 -1.00 0.00 0.00 179.01 178.71 1j0q h ILE 12 N -0.11 1.16 -0.25 3.13 2.04 -0.41 0.19 117.51 123.26 1j0q h ILE 12 Ca 0.19 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1j0q h ILE 12 Cb 0.41 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1j0q h ILE 12 CO -0.46 0.17 0.14 1.56 0.00 0.00 0.00 178.15 179.56 1j0q h GLN 13 N 0.53 0.34 -0.62 2.37 4.20 -0.07 -2.54 115.11 119.31 1j0q h GLN 13 Ca 0.14 -0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.94 1j0q h GLN 13 Cb 0.08 -0.07 -0.11 0.00 0.30 0.00 0.00 27.48 27.68 1j0q h GLN 13 CO -0.02 0.30 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.16 1j0q h LYS 14 N 0.29 0.06 -4.22 1.46 1.63 -0.31 -3.27 116.57 112.22 1j0q h LYS 14 Ca 0.09 -0.00 -0.68 0.00 -0.85 0.00 0.00 60.65 59.20 1j0q h LYS 14 Cb 0.06 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1j0q h LYS 14 CO -0.01 0.04 2.78 0.72 -3.45 0.00 0.00 179.45 179.53 1j0q n HIS 15 N -5.34 2.88 -3.03 1.91 8.25 -0.00 -4.60 115.22 115.29 1j0q n HIS 15 Ca 0.09 -2.50 -0.02 0.00 -0.26 0.00 0.00 57.72 55.03 1j0q n HIS 15 Cb 0.35 -2.22 -0.00 0.00 1.12 0.00 0.00 29.99 29.24 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 3.95 -1.42 -0.31 0.41 2.47 -1.23 -0.76 114.94 118.05 1j0q s ASN 16 Ca 0.51 -1.22 0.15 0.00 0.42 0.00 0.00 52.86 52.73 1j0q s ASN 16 Cb 0.14 1.89 0.43 0.00 -1.45 0.00 0.00 41.25 42.26 1j0q s ASN 16 CO -0.00 -0.12 1.42 -3.20 -3.72 0.00 0.00 177.10 171.48 1j0q n ASN 17 N 3.79 -0.65 -3.42 -4.21 5.15 -1.26 -4.97 115.26 109.68 1j0q n ASN 17 Ca 0.14 -2.16 -0.18 0.00 -0.60 0.00 0.00 54.58 51.77 1j0q n ASN 17 Cb 0.56 0.37 0.07 0.00 -0.53 0.00 0.00 39.78 40.25 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1j0q n SER 18 N -1.26 -4.27 0.00 1.20 2.88 -1.26 -4.87 113.62 106.04 1j0q n SER 18 Ca -0.12 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 1j0q n SER 18 Cb 0.86 -4.81 0.00 0.00 -0.75 0.00 0.00 64.21 59.51 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 -3.77 0.00 -3.48 -1.46 4.76 -1.26 -4.99 118.16 107.97 1j0q n LYS 19 Ca -0.17 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.99 1j0q n LYS 19 Cb 0.64 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.72 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 -0.67 2.16 -0.47 4.39 0.15 -1.26 -4.80 113.70 113.20 1j0q s SER 20 Ca 0.00 -3.00 -0.19 0.00 0.70 0.00 0.00 55.95 53.45 1j0q s SER 20 Cb 0.00 -0.60 0.04 0.00 -1.71 0.00 0.00 66.02 63.75 1j0q s SER 20 CO 0.00 -0.19 0.59 -0.89 1.20 0.00 0.00 173.24 173.95 1j0q s THR 21 N 0.05 4.91 0.08 6.45 2.01 -1.26 -4.02 115.64 123.86 1j0q s THR 21 Ca 0.29 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1j0q s THR 21 Cb -0.03 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1j0q s THR 21 CO -0.15 -0.67 0.14 0.26 -0.69 0.00 0.00 174.62 173.50 1j0q s TRP 22 N 2.57 3.31 0.04 4.92 0.52 0.06 -1.24 118.94 129.13 1j0q s TRP 22 Ca 0.16 0.13 -0.12 0.00 0.02 0.00 0.00 56.10 56.29 1j0q s TRP 22 Cb -0.17 -1.66 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1j0q s TRP 22 CO 0.14 0.54 0.27 -0.51 0.02 0.00 0.00 176.95 177.41 1j0q s LEU 23 N -2.51 1.04 -0.28 2.99 1.02 -0.37 0.04 118.68 120.60 1j0q s LEU 23 Ca 0.32 -0.25 -0.10 0.00 0.02 0.00 0.00 54.13 54.12 1j0q s LEU 23 Cb -0.12 1.23 -0.03 0.00 0.02 0.00 0.00 46.19 47.28 1j0q s LEU 23 CO 0.24 -0.60 0.16 -0.63 0.02 0.00 0.00 176.35 175.54 1j0q s ILE 24 N -2.57 4.91 -0.32 -0.59 1.01 -0.40 -0.92 121.20 122.33 1j0q s ILE 24 Ca -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1j0q s ILE 24 Cb -0.01 -3.38 0.09 0.00 0.01 0.00 0.00 42.46 39.18 1j0q s ILE 24 CO -0.04 0.21 0.04 -0.76 0.00 0.00 0.00 174.94 174.40 1j0q s LEU 25 N 1.69 3.87 -0.96 2.97 1.02 -0.41 -0.75 118.68 126.11 1j0q s LEU 25 Ca 0.06 -1.89 -0.01 0.00 0.02 0.00 0.00 54.13 52.31 1j0q s LEU 25 Cb -0.16 -1.40 -0.01 0.00 0.02 0.00 0.00 46.19 44.64 1j0q s LEU 25 CO 0.08 -0.36 0.81 1.41 0.02 0.00 0.00 176.35 178.31 1j0q n HIS 26 N 4.44 -1.84 0.00 0.29 8.25 -1.26 -2.69 115.22 122.41 1j0q n HIS 26 Ca -0.00 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 1j0q n HIS 26 Cb 0.42 -4.42 0.00 0.00 1.12 0.00 0.00 29.99 27.12 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 -3.46 0.00 -1.74 4.41 4.02 -1.26 -4.95 117.16 114.18 1j0q n TYR 27 Ca -0.21 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.31 1j0q n TYR 27 Cb 0.63 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 40.01 1j0q n TYR 27 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1j0q n LYS 28 N 0.00 1.43 -4.69 -0.72 4.01 -1.09 -0.25 118.16 116.85 1j0q n LYS 28 Ca 0.00 0.54 -0.33 0.00 -0.51 0.00 0.00 58.31 58.01 1j0q n LYS 28 Cb 0.00 -2.57 -0.14 0.00 -0.51 0.00 0.00 35.03 31.82 1j0q n LYS 28 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1j0q s VAL 29 N -1.33 3.28 -0.20 -0.18 1.01 -0.15 -1.29 120.40 121.54 1j0q s VAL 29 Ca 0.77 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1j0q s VAL 29 Cb -0.40 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 33.65 1j0q s VAL 29 CO 0.45 0.52 -0.06 -0.31 0.00 0.00 0.00 175.10 175.70 1j0q s TYR 30 N 0.26 2.05 -0.14 5.22 1.51 -0.10 -1.14 117.35 125.01 1j0q s TYR 30 Ca -0.08 -1.41 -0.15 0.00 -1.01 0.00 0.00 57.07 54.42 1j0q s TYR 30 Cb -0.15 -1.46 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 1j0q s TYR 30 CO 0.05 -0.70 0.36 0.34 -1.11 0.00 0.00 175.55 174.49 1j0q s ASP 31 N 1.52 6.54 0.00 2.29 -1.08 -0.98 -1.24 116.67 123.71 1j0q s ASP 31 Ca -0.02 0.63 0.00 0.00 -0.52 0.00 0.00 52.55 52.64 1j0q s ASP 31 Cb -0.17 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1j0q s ASP 31 CO -0.07 0.08 0.00 0.18 0.52 0.00 0.00 175.17 175.88 1j0q n LEU 32 N 3.51 0.00 0.00 -1.34 4.77 -0.37 -4.78 117.00 118.79 1j0q n LEU 32 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1j0q n LEU 32 Cb 0.52 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1j0q n LEU 32 CO 0.41 -0.38 0.00 0.41 -1.33 0.00 0.00 177.39 176.50 1j0q n THR 33 N -2.14 0.00 -0.31 -5.08 -1.04 -1.26 -3.82 114.28 100.63 1j0q n THR 33 Ca 0.00 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.22 1j0q n THR 33 Cb 0.00 0.00 0.48 0.00 -1.82 0.00 0.00 70.33 68.99 1j0q n THR 33 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1j0q h LYS 34 N 0.00 0.44 0.00 -2.82 3.64 -1.95 -0.80 116.57 115.08 1j0q h LYS 34 Ca 0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1j0q h LYS 34 Cb 0.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1j0q h LYS 34 CO 0.00 0.29 -0.19 0.35 -2.27 0.00 0.00 179.45 177.63 1j0q h PHE 35 N 0.45 0.00 -0.91 1.91 3.57 -1.90 -2.86 116.94 117.20 1j0q h PHE 35 Ca 0.57 0.00 0.25 0.00 3.53 0.00 0.00 57.97 62.32 1j0q h PHE 35 Cb 1.35 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.95 1j0q h PHE 35 CO -0.00 0.19 0.31 -0.07 -2.23 0.00 0.00 178.31 176.50 1j0q h LEU 36 N 0.00 0.11 0.43 0.59 3.38 -1.45 -0.29 115.31 118.08 1j0q h LEU 36 Ca -0.00 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1j0q h LEU 36 Cb 1.11 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1j0q h LEU 36 CO 0.02 -0.15 -0.20 -0.33 0.09 0.00 0.00 178.44 177.87 1j0q h GLU 37 N 0.24 -0.55 -2.00 1.13 4.39 -1.64 -2.59 114.58 113.56 1j0q h GLU 37 Ca 0.59 0.04 -0.15 0.00 0.34 0.00 0.00 59.36 60.18 1j0q h GLU 37 Cb 1.23 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.95 1j0q h GLU 37 CO -0.64 -0.37 -0.29 0.39 -1.16 0.00 0.00 179.01 176.94 1j0q n GLU 38 N -4.00 1.77 -3.81 2.33 1.02 -0.23 -4.75 120.64 112.97 1j0q n GLU 38 Ca -0.07 -0.78 -0.18 0.00 -0.02 0.00 0.00 57.16 56.11 1j0q n GLU 38 Cb 0.23 -1.76 -0.17 0.00 -0.02 0.00 0.00 31.44 29.72 1j0q n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1j0q s HIS 39 N 0.73 0.25 0.40 -0.32 2.46 -0.57 -4.88 115.29 113.35 1j0q s HIS 39 Ca 0.51 0.07 0.21 0.00 0.47 0.00 0.00 55.06 56.31 1j0q s HIS 39 Cb 0.24 -0.46 1.19 0.00 -0.13 0.00 0.00 32.58 33.43 1j0q s HIS 39 CO -0.00 -0.17 1.70 -1.35 -2.47 0.00 0.00 174.74 172.45 1j0q h PRO 40 N 7.73 0.28 0.00 2.88 0.11 -1.90 0.15 132.00 141.25 1j0q h PRO 40 Ca -0.32 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 1j0q h PRO 40 Cb 1.13 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1j0q h PRO 40 CO 0.36 0.19 -0.25 0.78 -0.21 0.00 0.00 178.00 178.87 1j0q h GLY 41 N 0.29 0.00 -0.03 -0.55 0.00 -1.95 -3.50 103.07 97.34 1j0q h GLY 41 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1j0q h GLY 41 CO -0.40 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 176.74 1j0q n GLY 42 N -0.69 -1.64 0.40 4.60 0.00 0.52 -4.45 105.19 103.92 1j0q n GLY 42 Ca -0.02 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.01 -0.94 -0.99 1.61 4.22 -1.77 -3.26 114.58 113.44 1j0q h GLU 43 Ca -0.00 0.06 0.09 0.00 0.08 0.00 0.00 59.36 59.59 1j0q h GLU 43 Cb 0.01 0.21 -0.12 0.00 0.50 0.00 0.00 28.75 29.36 1j0q h GLU 43 CO 0.00 -0.61 -0.58 0.39 -2.18 0.00 0.00 179.01 176.03 1j0q n GLU 44 N -5.43 -0.44 -0.02 1.92 1.02 -1.26 0.29 120.64 116.72 1j0q n GLU 44 Ca -0.13 1.50 -0.05 0.00 -0.02 0.00 0.00 57.16 58.46 1j0q n GLU 44 Cb 0.39 -2.20 0.16 0.00 -0.02 0.00 0.00 31.44 29.77 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1j0q h VAL 45 N 0.00 1.27 -0.63 2.62 3.04 -1.78 0.16 116.25 120.93 1j0q h VAL 45 Ca 0.16 -1.32 -0.06 0.00 -1.01 0.00 0.00 66.70 64.47 1j0q h VAL 45 Cb 0.41 1.33 -0.03 0.00 -2.01 0.00 0.00 31.29 30.98 1j0q h VAL 45 CO -0.93 0.43 0.15 -0.07 -1.01 0.00 0.00 177.57 176.14 1j0q h LEU 46 N 0.51 0.93 -0.28 3.16 3.38 -0.91 -2.96 115.31 119.13 1j0q h LEU 46 Ca 0.07 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1j0q h LEU 46 Cb 0.71 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1j0q h LEU 46 CO 0.05 0.90 -0.16 -0.09 0.09 0.00 0.00 178.44 179.23 1j0q h ARG 47 N 0.94 0.60 -0.83 1.13 2.43 0.97 0.48 114.38 120.10 1j0q h ARG 47 Ca 0.20 -0.27 0.20 0.00 -0.81 0.00 0.00 59.98 59.30 1j0q h ARG 47 Cb 0.33 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 29.75 1j0q h ARG 47 CO -0.00 0.85 0.28 1.49 -1.51 0.00 0.00 179.97 181.08 1j0q h GLU 48 N 0.34 0.31 0.10 0.20 4.57 -1.04 -2.38 114.58 116.67 1j0q h GLU 48 Ca 0.06 -0.02 -0.26 0.00 -1.18 0.00 0.00 59.36 57.96 1j0q h GLU 48 Cb 0.68 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1j0q h GLU 48 CO 0.05 0.20 -1.16 1.96 -1.18 0.00 0.00 179.01 178.88 1j0q h GLN 49 N 0.32 0.33 -7.29 1.92 7.50 -1.14 -3.48 115.11 113.27 1j0q h GLN 49 Ca 0.50 -0.48 -0.51 0.00 0.50 0.00 0.00 58.65 58.67 1j0q h GLN 49 Cb 0.93 0.17 0.17 0.00 0.05 0.00 0.00 27.48 28.79 1j0q h GLN 49 CO -0.55 1.19 0.25 0.00 -1.50 0.00 0.00 178.83 178.22 1j0q s ALA 50 N -2.85 1.64 -1.48 3.87 0.00 0.16 -2.88 121.76 120.23 1j0q s ALA 50 Ca -0.05 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 1j0q s ALA 50 Cb 0.07 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1j0q s ALA 50 CO 0.88 -2.40 0.15 0.41 0.00 0.00 0.00 175.76 174.80 1j0q n GLY 51 N -0.48 -0.26 2.76 0.00 0.00 0.11 -4.92 105.19 102.39 1j0q n GLY 51 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.47 0.56 3.74 -0.02 0.00 -1.14 -4.31 105.19 101.55 1j0q n GLY 52 Ca -0.29 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 1j0q n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j0q s ASP 53 N -2.87 7.38 -0.04 1.61 -4.77 -1.26 -1.27 116.67 115.46 1j0q s ASP 53 Ca 0.19 2.04 0.09 0.00 -3.30 0.00 0.00 52.55 51.57 1j0q s ASP 53 Cb -0.01 -2.61 0.16 0.00 -1.09 0.00 0.00 42.92 39.37 1j0q s ASP 53 CO 0.02 -0.10 1.07 0.00 0.70 0.00 0.00 175.17 176.85 1j0q n ALA 54 N 2.06 2.22 0.15 2.11 0.00 0.07 -4.82 120.51 122.29 1j0q n ALA 54 Ca 0.01 -1.70 -0.14 0.00 0.00 0.00 0.00 53.44 51.61 1j0q n ALA 54 Cb 0.47 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 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 5.24 0.80 0.62 0.00 2.02 -1.74 0.69 112.91 120.53 1j0q h THR 55 Ca -0.04 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1j0q h THR 55 Cb 1.38 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1j0q h THR 55 CO 0.02 0.07 -0.43 -0.08 0.37 0.00 0.00 175.52 175.47 1j0q h GLU 56 N -0.51 -0.98 -0.56 6.66 4.81 -1.91 -1.21 114.58 120.88 1j0q h GLU 56 Ca -0.03 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1j0q h GLU 56 Cb 0.38 0.22 -0.09 0.00 0.63 0.00 0.00 28.75 29.89 1j0q h GLU 56 CO 0.06 -0.65 0.03 -0.97 -0.73 0.00 0.00 179.01 176.75 1j0q h ASN 57 N -1.01 -0.18 0.23 1.04 -0.73 -1.92 0.17 115.58 113.17 1j0q h ASN 57 Ca -0.08 0.13 0.01 0.00 1.87 0.00 0.00 56.30 58.23 1j0q h ASN 57 Cb 0.84 0.22 -0.03 0.00 0.27 0.00 0.00 38.32 39.61 1j0q h ASN 57 CO 0.04 -0.07 -0.32 0.15 -0.37 0.00 0.00 177.43 176.87 1j0q h PHE 58 N 0.15 -0.86 0.38 0.67 3.57 -0.68 -1.03 116.94 119.15 1j0q h PHE 58 Ca 0.29 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1j0q h PHE 58 Cb 0.44 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1j0q h PHE 58 CO -0.31 -0.44 -0.18 1.49 -2.23 0.00 0.00 178.31 176.63 1j0q h GLU 59 N -0.61 -0.49 -0.88 1.11 4.57 -0.27 -2.96 114.58 115.06 1j0q h GLU 59 Ca 0.00 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.34 1j0q h GLU 59 Cb 0.59 0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 29.16 1j0q h GLU 59 CO -0.12 -0.23 -0.38 -3.47 -1.18 0.00 0.00 179.01 173.63 1j0q n ASP 60 N -5.24 -0.64 -0.51 1.04 -0.08 0.50 -0.10 116.55 111.52 1j0q n ASP 60 Ca -0.10 1.53 0.00 0.00 -1.51 0.00 0.00 54.79 54.71 1j0q n ASP 60 Cb 0.26 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.40 1j0q n ASP 60 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1j0q n HIS 61 N -5.25 0.00 0.00 -0.67 8.25 -0.39 -4.90 115.22 112.26 1j0q n HIS 61 Ca 0.07 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1j0q n HIS 61 Cb 0.33 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 0.12 1.80 2.18 -1.41 0.00 0.86 -4.89 105.19 103.85 1j0q n GLY 62 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -5.04 -0.93 1.61 8.25 -1.26 -4.77 115.22 113.09 1j0q n HIS 63 Ca 0.00 3.03 -0.29 0.00 -0.26 0.00 0.00 57.72 60.19 1j0q n HIS 63 Cb 0.00 -3.73 0.18 0.00 1.12 0.00 0.00 29.99 27.57 1j0q n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1j0q s SER 64 N -0.54 2.49 0.23 0.41 0.15 -1.26 -4.69 113.70 110.48 1j0q s SER 64 Ca 0.00 1.54 -0.07 0.00 0.70 0.00 0.00 55.95 58.13 1j0q s SER 64 Cb 0.00 -2.21 0.38 0.00 -1.71 0.00 0.00 66.02 62.48 1j0q s SER 64 CO 0.00 -3.27 1.73 0.71 1.20 0.00 0.00 173.24 173.62 1j0q h THR 65 N -1.98 0.70 -0.85 6.45 1.35 -1.98 0.29 112.91 116.89 1j0q h THR 65 Ca -0.53 -0.14 0.08 0.00 -0.55 0.00 0.00 66.41 65.27 1j0q h THR 65 Cb 1.30 0.24 -0.11 0.00 -1.73 0.00 0.00 68.15 67.85 1j0q h THR 65 CO 0.52 0.08 -0.57 0.44 -0.25 0.00 0.00 175.52 175.74 1j0q h ASP 66 N 0.42 -2.04 -0.69 5.36 5.19 -1.99 0.21 116.42 122.88 1j0q h ASP 66 Ca 0.37 0.31 -0.05 0.00 -0.62 0.00 0.00 57.03 57.04 1j0q h ASP 66 Cb 0.52 0.90 -0.03 0.00 0.18 0.00 0.00 39.33 40.89 1j0q h ASP 66 CO -0.37 -0.28 0.25 0.00 -3.12 0.00 0.00 179.24 175.72 1j0q h ALA 67 N 0.41 0.90 0.27 3.45 0.00 -1.49 0.11 119.26 122.92 1j0q h ALA 67 Ca 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j0q h ALA 67 Cb 0.47 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1j0q h ALA 67 CO -0.85 0.55 -0.44 0.00 0.00 0.00 0.00 179.25 178.51 1j0q h ARG 68 N 1.00 -0.72 -0.59 0.00 -0.00 -0.36 0.68 114.38 114.38 1j0q h ARG 68 Ca 0.23 0.05 0.12 0.00 -0.50 0.00 0.00 59.98 59.87 1j0q h ARG 68 Cb 0.25 0.16 -0.11 0.00 0.00 0.00 0.00 29.97 30.27 1j0q h ARG 68 CO -0.01 -0.48 -0.16 1.49 0.00 0.00 0.00 179.97 180.80 1j0q h GLU 69 N -0.75 -0.02 -0.59 0.04 4.57 -0.30 0.16 114.58 117.69 1j0q h GLU 69 Ca -0.03 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.26 1j0q h GLU 69 Cb 0.69 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.20 1j0q h GLU 69 CO -0.14 -0.01 0.10 -0.07 -1.18 0.00 0.00 179.01 177.71 1j0q h LEU 70 N -0.02 -0.05 -0.94 1.64 -0.00 -0.54 0.32 115.31 115.72 1j0q h LEU 70 Ca 0.28 0.12 0.07 0.00 -0.00 0.00 0.00 57.88 58.35 1j0q h LEU 70 Cb 0.45 0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 41.21 1j0q h LEU 70 CO -0.62 -0.02 0.59 0.77 -0.00 0.00 0.00 178.44 179.17 1j0q h SER 71 N 0.23 0.93 -0.12 -0.43 4.64 0.12 -1.64 113.55 117.28 1j0q h SER 71 Ca 0.31 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.69 1j0q h SER 71 Cb 0.47 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 1j0q h SER 71 CO -0.42 0.58 -0.16 0.11 -0.87 0.00 0.00 176.83 176.07 1j0q h LYS 72 N 1.06 -0.20 0.00 4.77 1.57 -0.16 0.79 116.57 124.40 1j0q h LYS 72 Ca 0.41 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1j0q h LYS 72 Cb 0.20 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1j0q h LYS 72 CO -0.18 -0.13 0.00 -2.37 -0.57 0.00 0.00 179.45 176.19 1j0q n THR 73 N -5.30 0.95 1.00 -0.16 5.66 -0.77 -1.37 114.28 114.28 1j0q n THR 73 Ca -0.03 0.31 0.12 0.00 -3.05 0.00 0.00 64.05 61.40 1j0q n THR 73 Cb 0.22 -1.22 0.16 0.00 -1.55 0.00 0.00 70.33 67.95 1j0q n THR 73 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1j0q n PHE 74 N -2.05 0.00 -1.65 1.09 3.72 0.14 -4.96 117.46 113.76 1j0q n PHE 74 Ca 0.02 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.94 1j0q n PHE 74 Cb 0.18 -0.20 -0.05 0.00 -0.94 0.00 0.00 39.48 38.48 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 -1.51 0.02 0.00 4.37 5.41 -0.42 -2.32 119.36 124.92 1j0q n ILE 75 Ca 0.05 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1j0q n ILE 75 Cb 0.34 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 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 3.15 0.00 -3.67 1.39 -6.64 -0.29 -4.92 119.36 108.37 1j0q n ILE 76 Ca 0.17 -0.19 -0.01 0.00 -1.77 0.00 0.00 62.75 60.94 1j0q n ILE 76 Cb 0.26 0.69 0.01 0.00 -1.44 0.00 0.00 39.64 39.16 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 1.88 0.93 3.16 3.28 0.00 -1.13 -4.91 105.19 108.40 1j0q n GLY 77 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.03 0.86 -0.01 1.61 2.02 -1.26 -0.97 118.70 118.92 1j0q s GLU 78 Ca 0.12 -1.38 -0.30 0.00 0.02 0.00 0.00 54.97 53.43 1j0q s GLU 78 Cb -0.01 0.02 -0.06 0.00 0.10 0.00 0.00 34.13 34.18 1j0q s GLU 78 CO 0.03 -0.14 1.62 -1.17 0.02 0.00 0.00 175.26 175.62 1j0q s LEU 79 N -3.04 4.34 0.11 1.80 0.20 0.66 -0.75 118.68 121.99 1j0q s LEU 79 Ca 0.17 2.30 -0.31 0.00 0.69 0.00 0.00 54.13 56.97 1j0q s LEU 79 Cb 0.07 -3.55 -0.09 0.00 -0.43 0.00 0.00 46.19 42.19 1j0q s LEU 79 CO -0.02 -0.88 1.60 -2.28 -0.29 0.00 0.00 176.35 174.48 1j0q s HIS 80 N 3.38 2.72 -1.37 5.38 5.65 0.23 -4.84 115.29 126.44 1j0q s HIS 80 Ca 0.72 0.48 0.17 0.00 0.25 0.00 0.00 55.06 56.68 1j0q s HIS 80 Cb -0.35 -3.93 0.85 0.00 -1.18 0.00 0.00 32.58 27.97 1j0q s HIS 80 CO 0.30 -3.60 1.52 -2.30 -0.65 0.00 0.00 174.74 170.00 1j0q n PRO 81 N 4.88 0.21 0.17 2.88 -0.02 -1.26 -1.13 135.00 140.73 1j0q n PRO 81 Ca 0.15 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.89 1j0q n PRO 81 Cb 0.40 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 32.97 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 0.00 0.00 2.55 3.58 -2.01 -3.38 116.42 117.16 1j0q h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1j0q h ASP 82 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1j0q h ASP 82 CO 0.00 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.69 1j0q n ASP 83 N -2.38 0.00 0.00 2.28 2.03 -0.28 -5.18 116.55 113.02 1j0q n ASP 83 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1j0q n ASP 83 Cb 0.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82