#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 -5.05 118.33 112.28 1j0q n VAL 4 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1j0q n VAL 4 Cb 0.00 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 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 -4.71 0.00 -1.52 7.34 3.00 -1.26 -5.11 118.16 115.90 1j0q n LYS 5 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1j0q n LYS 5 Cb 0.53 -0.42 -0.00 0.00 0.00 0.00 0.00 35.03 35.14 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 -3.13 -4.16 -3.67 5.64 4.02 -1.26 -4.92 117.16 109.67 1j0q n TYR 6 Ca 0.00 2.26 -0.09 0.00 -0.01 0.00 0.00 57.90 60.05 1j0q n TYR 6 Cb 0.27 -3.52 -0.09 0.00 -0.02 0.00 0.00 39.34 35.98 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 -5.37 -0.80 0.35 -0.72 2.02 0.30 -4.71 117.35 108.41 1j0q s TYR 7 Ca 0.00 1.67 -0.19 0.00 -0.37 0.00 0.00 57.07 58.18 1j0q s TYR 7 Cb 0.00 0.42 -0.10 0.00 -0.40 0.00 0.00 41.96 41.88 1j0q s TYR 7 CO 0.00 -0.42 0.84 0.95 -1.57 0.00 0.00 175.55 175.35 1j0q s THR 8 N 1.42 4.49 0.29 -0.71 -4.23 -1.26 -0.88 115.64 114.75 1j0q s THR 8 Ca -0.09 1.32 0.03 0.00 -1.18 0.00 0.00 61.69 61.77 1j0q s THR 8 Cb -0.07 -3.69 0.28 0.00 1.34 0.00 0.00 72.50 70.36 1j0q s THR 8 CO -0.15 -0.14 1.78 0.25 -0.54 0.00 0.00 174.62 175.82 1j0q h LEU 9 N 2.39 0.72 -0.94 4.79 6.46 -1.94 0.20 115.31 126.99 1j0q h LEU 9 Ca -0.48 0.09 0.14 0.00 -0.12 0.00 0.00 57.88 57.51 1j0q h LEU 9 Cb 1.18 -0.04 -0.15 0.00 -0.73 0.00 0.00 40.66 40.92 1j0q h LEU 9 CO 0.64 0.29 -0.38 1.21 -0.62 0.00 0.00 178.44 179.57 1j0q n GLU 10 N -4.78 -0.23 0.11 1.25 4.07 -1.26 -0.80 120.64 118.99 1j0q n GLU 10 Ca 0.21 1.45 -0.12 0.00 -0.06 0.00 0.00 57.16 58.64 1j0q n GLU 10 Cb 0.50 -2.15 -0.08 0.00 -0.06 0.00 0.00 31.44 29.65 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 -0.31 -0.58 5.31 4.39 -1.12 -3.33 114.58 118.94 1j0q h GLU 11 Ca 0.32 0.02 0.10 0.00 0.34 0.00 0.00 59.36 60.14 1j0q h GLU 11 Cb 0.55 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.20 1j0q h GLU 11 CO -0.93 0.05 0.17 0.82 -1.16 0.00 0.00 179.01 177.95 1j0q h ILE 12 N -0.78 0.72 -0.74 3.13 2.04 0.69 0.30 117.51 122.87 1j0q h ILE 12 Ca -0.03 -0.11 0.16 0.00 1.00 0.00 0.00 64.86 65.87 1j0q h ILE 12 Cb 0.51 0.37 -0.11 0.00 -0.74 0.00 0.00 36.82 36.85 1j0q h ILE 12 CO 0.05 0.06 0.21 1.56 0.00 0.00 0.00 178.15 180.03 1j0q h GLN 13 N 0.32 0.30 0.19 2.37 4.20 -1.12 -2.84 115.11 118.54 1j0q h GLN 13 Ca 0.29 -0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.67 1j0q h GLN 13 Cb 0.39 -0.07 0.03 0.00 0.30 0.00 0.00 27.48 28.14 1j0q h GLN 13 CO -0.34 0.20 -1.37 -0.22 -0.67 0.00 0.00 178.83 176.44 1j0q h LYS 14 N 0.31 0.51 -4.44 1.46 1.63 -0.67 -3.18 116.57 112.19 1j0q h LYS 14 Ca 0.42 -0.80 -0.63 0.00 -0.85 0.00 0.00 60.65 58.79 1j0q h LYS 14 Cb 0.70 0.29 0.05 0.00 -0.60 0.00 0.00 32.23 32.67 1j0q h LYS 14 CO -0.48 1.38 2.25 0.72 -3.45 0.00 0.00 179.45 179.86 1j0q n HIS 15 N -3.70 1.69 0.11 1.91 8.25 0.46 -3.92 115.22 120.01 1j0q n HIS 15 Ca -0.14 -1.72 0.03 0.00 -0.26 0.00 0.00 57.72 55.63 1j0q n HIS 15 Cb 1.06 -1.63 -0.04 0.00 1.12 0.00 0.00 29.99 30.50 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 7.34 2.19 -3.65 0.41 0.23 -0.98 -0.43 115.26 120.37 1j0q n ASN 16 Ca 0.49 -0.28 -0.02 0.00 -0.53 0.00 0.00 54.58 54.24 1j0q n ASN 16 Cb 0.38 1.14 -0.06 0.00 -2.08 0.00 0.00 39.78 39.16 1j0q n ASN 16 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1j0q s ASN 17 N -2.12 -0.02 -1.60 0.53 2.47 -1.01 -4.53 114.94 108.66 1j0q s ASN 17 Ca -0.00 0.03 -0.11 0.00 0.42 0.00 0.00 52.86 53.19 1j0q s ASN 17 Cb 0.04 0.03 0.10 0.00 -1.45 0.00 0.00 41.25 39.96 1j0q s ASN 17 CO 0.22 -0.01 0.62 -1.20 -3.72 0.00 0.00 177.10 173.01 1j0q n SER 18 N 1.28 -2.08 0.09 -4.21 7.64 -1.26 -4.42 113.62 110.66 1j0q n SER 18 Ca -0.07 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1j0q n SER 18 Cb 0.57 -2.78 0.00 0.00 -1.01 0.00 0.00 64.21 60.99 1j0q n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1j0q n LYS 19 N -4.41 0.00 -3.06 1.43 3.00 -1.26 -5.08 118.16 108.78 1j0q n LYS 19 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1j0q n LYS 19 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1j0q n LYS 19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1j0q n SER 20 N -2.81 0.00 -4.21 3.14 3.41 -1.26 -5.05 113.62 106.84 1j0q n SER 20 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1j0q n SER 20 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.12 4.40 0.05 6.66 2.01 -1.26 -2.33 115.64 123.04 1j0q s THR 21 Ca 0.00 -2.16 -0.06 0.00 0.31 0.00 0.00 61.69 59.78 1j0q s THR 21 Cb 0.00 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1j0q s THR 21 CO 0.00 -0.85 0.30 0.26 -0.69 0.00 0.00 174.62 173.64 1j0q s TRP 22 N 0.83 3.55 0.09 4.92 0.52 0.42 -1.43 118.94 127.85 1j0q s TRP 22 Ca 0.10 0.55 -0.08 0.00 0.02 0.00 0.00 56.10 56.69 1j0q s TRP 22 Cb -0.22 -1.98 -0.00 0.00 -1.15 0.00 0.00 33.47 30.11 1j0q s TRP 22 CO -0.03 0.57 0.18 -0.51 0.02 0.00 0.00 176.95 177.17 1j0q s LEU 23 N -2.04 1.48 -0.25 2.99 1.02 0.03 -0.07 118.68 121.84 1j0q s LEU 23 Ca 0.32 -0.67 -0.09 0.00 0.02 0.00 0.00 54.13 53.70 1j0q s LEU 23 Cb -0.13 0.99 -0.04 0.00 0.02 0.00 0.00 46.19 47.03 1j0q s LEU 23 CO 0.19 -0.72 0.12 -0.63 0.02 0.00 0.00 176.35 175.33 1j0q s ILE 24 N -3.86 4.81 -0.47 -0.59 1.01 -0.40 -0.56 121.20 121.13 1j0q s ILE 24 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1j0q s ILE 24 Cb 0.05 -3.25 0.14 0.00 0.01 0.00 0.00 42.46 39.41 1j0q s ILE 24 CO -0.11 0.33 0.26 -0.76 0.00 0.00 0.00 174.94 174.65 1j0q s LEU 25 N 1.43 3.27 -0.35 2.97 1.02 -0.92 -0.62 118.68 125.49 1j0q s LEU 25 Ca 0.06 -2.80 -0.00 0.00 0.02 0.00 0.00 54.13 51.40 1j0q s LEU 25 Cb -0.15 -1.24 -0.00 0.00 0.02 0.00 0.00 46.19 44.82 1j0q s LEU 25 CO 0.06 -0.25 0.29 1.41 0.02 0.00 0.00 176.35 177.88 1j0q n HIS 26 N 3.33 -0.66 0.00 0.29 8.25 -1.26 -4.04 115.22 121.13 1j0q n HIS 26 Ca 0.08 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1j0q n HIS 26 Cb 0.34 -2.93 0.00 0.00 1.12 0.00 0.00 29.99 28.52 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 -1.94 0.00 -1.14 4.41 4.01 -1.26 -4.92 117.16 116.32 1j0q n TYR 27 Ca -0.08 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.32 1j0q n TYR 27 Cb 0.55 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.69 1j0q n TYR 27 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1j0q n LYS 28 N 0.00 0.19 -5.10 -0.72 4.76 -1.26 -0.52 118.16 115.52 1j0q n LYS 28 Ca 0.00 0.13 -0.28 0.00 -2.87 0.00 0.00 58.31 55.28 1j0q n LYS 28 Cb 0.00 -2.18 -0.16 0.00 -1.84 0.00 0.00 35.03 30.85 1j0q n LYS 28 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1j0q s VAL 29 N -2.07 1.76 -0.15 -0.18 1.01 0.07 -2.17 120.40 118.68 1j0q s VAL 29 Ca 0.69 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1j0q s VAL 29 Cb -0.30 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1j0q s VAL 29 CO 0.55 0.50 -0.02 -0.31 0.00 0.00 0.00 175.10 175.82 1j0q s TYR 30 N -0.43 1.30 -0.18 5.22 1.51 0.28 -1.34 117.35 123.71 1j0q s TYR 30 Ca 0.06 -0.83 -0.09 0.00 -1.01 0.00 0.00 57.07 55.20 1j0q s TYR 30 Cb -0.09 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.58 1j0q s TYR 30 CO -0.00 -0.55 0.11 0.34 -1.11 0.00 0.00 175.55 174.34 1j0q s ASP 31 N 1.77 6.09 0.00 2.29 -1.08 -1.02 -0.79 116.67 123.93 1j0q s ASP 31 Ca 0.01 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 1j0q s ASP 31 Cb -0.15 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 1j0q s ASP 31 CO -0.07 0.23 0.00 0.18 0.52 0.00 0.00 175.17 176.03 1j0q n LEU 32 N 3.16 0.00 0.00 -1.34 4.77 -0.51 -4.78 117.00 118.30 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 0.53 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1j0q n LEU 32 CO 0.35 -0.16 0.00 0.41 -1.33 0.00 0.00 177.39 176.66 1j0q n THR 33 N -1.50 0.00 0.12 -5.08 -1.04 -1.26 -3.54 114.28 101.97 1j0q n THR 33 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j0q n THR 33 Cb 0.00 0.00 0.31 0.00 -1.82 0.00 0.00 70.33 68.82 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 0.20 0.00 -2.82 3.64 -1.97 -3.10 116.57 112.52 1j0q h LYS 34 Ca 0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1j0q h LYS 34 Cb 0.00 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1j0q h LYS 34 CO 0.00 0.48 -0.10 0.35 -2.27 0.00 0.00 179.45 177.92 1j0q h PHE 35 N 0.18 0.00 -0.98 1.91 3.57 -1.96 0.12 116.94 119.77 1j0q h PHE 35 Ca 0.03 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.87 1j0q h PHE 35 Cb 0.62 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.20 1j0q h PHE 35 CO 0.01 0.10 0.43 -0.07 -2.23 0.00 0.00 178.31 176.55 1j0q h LEU 36 N 0.00 0.22 -0.58 0.59 3.38 -1.85 0.31 115.31 117.38 1j0q h LEU 36 Ca -0.00 0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1j0q h LEU 36 Cb 0.29 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1j0q h LEU 36 CO 0.01 -0.30 0.29 -0.08 0.09 0.00 0.00 178.44 178.46 1j0q h GLU 37 N 0.13 0.54 0.03 1.13 4.81 -0.95 -3.29 114.58 116.98 1j0q h GLU 37 Ca 0.74 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.89 1j0q h GLU 37 Cb 1.78 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 31.04 1j0q h GLU 37 CO -0.73 0.36 -0.19 1.49 -0.73 0.00 0.00 179.01 179.21 1j0q h GLU 38 N 0.55 0.07 -6.14 1.92 4.22 -0.65 -3.48 114.58 111.08 1j0q h GLU 38 Ca 0.26 -0.12 -0.66 0.00 0.08 0.00 0.00 59.36 58.92 1j0q h GLU 38 Cb 0.18 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1j0q h GLU 38 CO -0.18 1.04 1.19 1.58 -2.18 0.00 0.00 179.01 180.45 1j0q n HIS 39 N -4.50 2.02 -0.35 0.92 -0.00 0.42 -4.89 115.22 108.84 1j0q n HIS 39 Ca -0.11 0.19 0.13 0.00 0.46 0.00 0.00 57.72 58.39 1j0q n HIS 39 Cb 0.55 -2.58 0.32 0.00 -0.12 0.00 0.00 29.99 28.17 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 10.18 0.75 0.00 1.57 0.11 -1.93 0.17 132.00 142.85 1j0q h PRO 40 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j0q h PRO 40 Cb 1.30 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1j0q h PRO 40 CO 0.98 0.50 0.00 0.78 -0.21 0.00 0.00 178.00 180.04 1j0q h GLY 41 N 0.77 0.00 0.00 -0.55 0.00 -1.99 -3.49 103.07 97.82 1j0q h GLY 41 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1j0q h GLY 41 CO -0.34 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.81 1j0q n GLY 42 N -0.94 -1.13 0.08 4.60 0.00 0.61 -4.63 105.19 103.77 1j0q n GLY 42 Ca -0.02 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 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 0.10 -0.44 1.61 4.81 -1.82 -3.34 114.58 115.50 1j0q h GLU 43 Ca 0.00 -0.16 0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1j0q h GLU 43 Cb 0.00 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.35 1j0q h GLU 43 CO 0.00 1.07 -0.17 0.93 -0.73 0.00 0.00 179.01 180.11 1j0q h GLU 44 N -0.79 -0.07 -0.76 1.92 5.08 -1.95 0.26 114.58 118.27 1j0q h GLU 44 Ca -0.04 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1j0q h GLU 44 Cb 1.19 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1j0q h GLU 44 CO 0.05 -0.04 0.50 -0.24 -1.00 0.00 0.00 179.01 178.27 1j0q h VAL 45 N -0.07 1.14 -0.48 3.13 3.04 -1.82 0.85 116.25 122.04 1j0q h VAL 45 Ca 0.21 -0.33 -0.12 0.00 -1.01 0.00 0.00 66.70 65.46 1j0q h VAL 45 Cb 0.40 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 1j0q h VAL 45 CO -0.49 0.17 -0.16 -0.07 -1.01 0.00 0.00 177.57 176.01 1j0q h LEU 46 N 0.96 0.98 -0.04 3.16 3.38 -0.76 -1.29 115.31 121.69 1j0q h LEU 46 Ca 0.29 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1j0q h LEU 46 Cb -0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1j0q h LEU 46 CO -0.08 1.13 0.02 -0.09 0.09 0.00 0.00 178.44 179.51 1j0q h ARG 47 N 0.81 0.07 -0.48 1.13 2.43 0.56 0.39 114.38 119.29 1j0q h ARG 47 Ca 0.12 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 1j0q h ARG 47 Cb 0.73 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.17 1j0q h ARG 47 CO 0.06 0.20 -0.17 1.49 -1.51 0.00 0.00 179.97 180.04 1j0q h GLU 48 N -0.09 -0.06 0.00 0.20 4.57 -0.86 -2.76 114.58 115.59 1j0q h GLU 48 Ca 0.01 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.03 1j0q h GLU 48 Cb 0.16 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1j0q h GLU 48 CO -0.00 -0.04 -0.86 0.37 -1.18 0.00 0.00 179.01 177.30 1j0q h GLN 49 N -0.06 0.00 -7.26 1.92 5.75 -0.97 -3.47 115.11 111.02 1j0q h GLN 49 Ca 0.23 0.00 -0.49 0.00 -0.15 0.00 0.00 58.65 58.24 1j0q h GLN 49 Cb 0.41 0.00 0.18 0.00 1.07 0.00 0.00 27.48 29.14 1j0q h GLN 49 CO -0.52 0.76 0.19 0.00 -2.65 0.00 0.00 178.83 176.61 1j0q s ALA 50 N -2.81 1.14 -1.35 3.38 0.00 0.14 -3.38 121.76 118.87 1j0q s ALA 50 Ca 0.02 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1j0q s ALA 50 Cb 0.09 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.88 1j0q s ALA 50 CO 0.79 -2.80 0.55 0.41 0.00 0.00 0.00 175.76 174.71 1j0q n GLY 51 N -0.11 -0.27 0.00 0.00 0.00 0.91 -4.81 105.19 100.90 1j0q n GLY 51 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.80 0.56 3.77 -0.02 0.00 -1.22 -4.22 105.19 102.26 1j0q n GLY 52 Ca -0.30 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 0.30 6.60 -0.02 1.61 2.15 -1.26 -1.27 116.67 124.78 1j0q s ASP 53 Ca 0.00 2.70 0.03 0.00 0.43 0.00 0.00 52.55 55.71 1j0q s ASP 53 Cb 0.00 -2.65 0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1j0q s ASP 53 CO 0.00 -0.66 0.95 0.00 -0.17 0.00 0.00 175.17 175.29 1j0q n ALA 54 N 0.56 1.89 0.28 3.66 0.00 0.21 -4.78 120.51 122.34 1j0q n ALA 54 Ca 0.01 -1.16 -0.17 0.00 0.00 0.00 0.00 53.44 52.13 1j0q n ALA 54 Cb 0.42 -0.40 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 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 0.26 0.65 0.00 2.02 -1.72 0.64 112.91 120.01 1j0q h THR 55 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1j0q h THR 55 Cb 1.26 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1j0q h THR 55 CO 0.00 0.00 -0.31 -0.08 0.37 0.00 0.00 175.52 175.50 1j0q h GLU 56 N -0.82 -0.84 -0.46 6.66 4.81 -1.93 -1.10 114.58 120.90 1j0q h GLU 56 Ca -0.05 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1j0q h GLU 56 Cb 0.70 0.19 -0.07 0.00 0.63 0.00 0.00 28.75 30.20 1j0q h GLU 56 CO 0.00 -0.54 0.04 -0.97 -0.73 0.00 0.00 179.01 176.81 1j0q h ASN 57 N -0.92 -0.11 0.59 1.04 -0.73 -1.92 0.12 115.58 113.65 1j0q h ASN 57 Ca -0.09 0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 1j0q h ASN 57 Cb 0.68 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.42 1j0q h ASN 57 CO 0.15 -0.02 -0.51 0.15 -0.37 0.00 0.00 177.43 176.82 1j0q h PHE 58 N 0.16 -1.39 -0.26 0.67 3.57 -0.78 -2.51 116.94 116.40 1j0q h PHE 58 Ca 0.23 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1j0q h PHE 58 Cb 0.33 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1j0q h PHE 58 CO -0.26 -0.70 0.10 0.93 -2.23 0.00 0.00 178.31 176.15 1j0q h GLU 59 N -1.07 0.38 -0.62 1.11 4.39 -0.70 -3.07 114.58 115.00 1j0q h GLU 59 Ca -0.08 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.69 1j0q h GLU 59 Cb 0.91 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.39 1j0q h GLU 59 CO -0.02 0.42 0.01 0.22 -1.16 0.00 0.00 179.01 178.48 1j0q h ASP 60 N 0.26 -0.25 -0.77 1.42 3.58 -0.79 0.18 116.42 120.05 1j0q h ASP 60 Ca 0.09 0.15 0.18 0.00 0.42 0.00 0.00 57.03 57.87 1j0q h ASP 60 Cb 0.18 0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.44 1j0q h ASP 60 CO -0.01 -0.11 0.53 -0.74 -2.88 0.00 0.00 179.24 176.03 1j0q h HIS 61 N 0.13 0.35 -2.03 0.28 2.76 -1.34 -3.46 115.15 111.83 1j0q h HIS 61 Ca 0.33 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.48 1j0q h HIS 61 Cb 0.53 -0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.40 1j0q h HIS 61 CO -0.36 0.12 -0.07 0.41 -1.30 0.00 0.00 177.93 176.73 1j0q n GLY 62 N -1.57 0.52 3.51 5.26 0.00 0.64 -5.02 105.19 108.54 1j0q n GLY 62 Ca 0.15 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.79 0.00 -1.35 1.61 8.25 -1.25 -4.91 115.22 115.78 1j0q n HIS 63 Ca -0.02 0.53 -0.36 0.00 -0.26 0.00 0.00 57.72 57.61 1j0q n HIS 63 Cb 0.51 -2.05 0.08 0.00 1.12 0.00 0.00 29.99 29.65 1j0q n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1j0q n SER 64 N 0.65 0.13 -0.35 0.41 3.41 -1.26 -4.72 113.62 111.89 1j0q n SER 64 Ca 0.11 0.66 0.24 0.00 -0.26 0.00 0.00 58.87 59.62 1j0q n SER 64 Cb 0.42 -1.36 0.49 0.00 -0.26 0.00 0.00 64.21 63.50 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 -0.23 0.35 -0.03 6.66 1.35 -1.98 0.12 112.91 119.15 1j0q h THR 65 Ca -0.47 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1j0q h THR 65 Cb 1.34 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1j0q h THR 65 CO 0.46 0.06 -0.02 0.44 -0.25 0.00 0.00 175.52 176.22 1j0q h ASP 66 N 0.35 0.07 -0.57 5.36 5.19 -1.98 0.46 116.42 125.29 1j0q h ASP 66 Ca 0.71 -0.44 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1j0q h ASP 66 Cb 1.68 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 41.15 1j0q h ASP 66 CO -0.52 0.49 0.36 0.00 -3.12 0.00 0.00 179.24 176.45 1j0q h ALA 67 N 0.58 0.73 -0.34 3.45 0.00 -1.75 0.42 119.26 122.35 1j0q h ALA 67 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1j0q h ALA 67 Cb 0.47 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1j0q h ALA 67 CO 0.01 0.19 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 1j0q h ARG 68 N 0.78 0.09 0.03 0.00 3.08 -0.61 0.10 114.38 117.84 1j0q h ARG 68 Ca 0.21 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.28 1j0q h ARG 68 Cb -0.05 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1j0q h ARG 68 CO -0.04 0.06 -0.23 1.49 -1.07 0.00 0.00 179.97 180.18 1j0q h GLU 69 N 0.09 -0.36 -0.92 0.04 4.22 0.53 -1.62 114.58 116.56 1j0q h GLU 69 Ca 0.16 0.02 0.21 0.00 0.08 0.00 0.00 59.36 59.84 1j0q h GLU 69 Cb 0.23 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.44 1j0q h GLU 69 CO -0.28 -0.24 0.46 -0.07 -2.18 0.00 0.00 179.01 176.70 1j0q h LEU 70 N -0.38 0.47 -0.65 1.64 -0.00 -0.26 0.36 115.31 116.49 1j0q h LEU 70 Ca 0.05 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.06 1j0q h LEU 70 Cb 0.44 0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 1j0q h LEU 70 CO -0.18 0.07 0.37 0.77 -0.00 0.00 0.00 178.44 179.47 1j0q h SER 71 N 0.50 0.79 -0.07 -0.43 4.64 0.12 0.27 113.55 119.38 1j0q h SER 71 Ca 0.56 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.83 1j0q h SER 71 Cb 1.02 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1j0q h SER 71 CO -0.48 0.64 -0.07 0.11 -0.87 0.00 0.00 176.83 176.16 1j0q h LYS 72 N 0.88 -0.08 -0.54 4.77 1.57 0.24 -0.84 116.57 122.56 1j0q h LYS 72 Ca 0.23 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1j0q h LYS 72 Cb 0.01 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1j0q h LYS 72 CO -0.04 -0.06 0.37 1.15 -0.57 0.00 0.00 179.45 180.30 1j0q h THR 73 N -0.09 0.87 -0.00 -0.16 2.02 -0.48 -0.33 112.91 114.74 1j0q h THR 73 Ca 0.05 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1j0q h THR 73 Cb 0.16 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1j0q h THR 73 CO -0.12 0.05 -0.07 0.49 0.37 0.00 0.00 175.52 176.25 1j0q n PHE 74 N -4.46 0.00 -1.67 3.16 3.72 0.90 -4.85 117.46 114.25 1j0q n PHE 74 Ca 0.09 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 57.02 1j0q n PHE 74 Cb 0.39 -0.25 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.17 0.62 0.13 4.37 5.41 -0.14 -2.43 119.36 126.16 1j0q n ILE 75 Ca 0.14 -0.12 0.02 0.00 1.00 0.00 0.00 62.75 63.79 1j0q n ILE 75 Cb 0.26 -1.98 -0.02 0.00 -0.71 0.00 0.00 39.64 37.20 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 5.30 0.00 0.00 1.39 -5.35 -0.45 -4.98 119.36 115.27 1j0q n ILE 76 Ca 0.22 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1j0q n ILE 76 Cb 0.32 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 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 1.39 -0.71 3.03 3.28 0.00 -1.22 -4.85 105.19 106.10 1j0q n GLY 77 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 0.44 -0.35 1.61 8.01 -1.26 -0.75 118.70 124.40 1j0q s GLU 78 Ca 0.00 -0.84 -0.29 0.00 0.01 0.00 0.00 54.97 53.85 1j0q s GLU 78 Cb 0.00 0.11 0.02 0.00 -4.31 0.00 0.00 34.13 29.94 1j0q s GLU 78 CO 0.00 -0.06 1.09 -1.17 0.01 0.00 0.00 175.26 175.13 1j0q s LEU 79 N -1.99 3.87 0.89 1.80 0.20 0.33 -0.54 118.68 123.24 1j0q s LEU 79 Ca -0.07 0.95 -0.13 0.00 0.69 0.00 0.00 54.13 55.56 1j0q s LEU 79 Cb -0.04 -3.54 0.04 0.00 -0.43 0.00 0.00 46.19 42.22 1j0q s LEU 79 CO -0.04 -0.96 0.62 1.57 -0.29 0.00 0.00 176.35 177.26 1j0q n HIS 80 N 7.07 -0.70 0.06 5.38 -0.00 -0.06 -4.77 115.22 122.21 1j0q n HIS 80 Ca 0.12 0.30 0.05 0.00 -0.00 0.00 0.00 57.72 58.19 1j0q n HIS 80 Cb 0.47 -1.88 -0.05 0.00 -0.00 0.00 0.00 29.99 28.54 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 -2.06 0.62 0.00 1.57 -0.02 -1.26 -2.19 135.00 131.66 1j0q n PRO 81 Ca 0.09 0.16 0.15 0.00 -2.02 0.00 0.00 63.50 61.87 1j0q n PRO 81 Cb 0.52 -1.80 0.71 0.00 -0.02 0.00 0.00 33.50 32.92 1j0q n PRO 81 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1j0q n ASP 82 N -2.77 0.14 0.00 2.55 2.03 -1.26 -4.53 116.55 112.72 1j0q n ASP 82 Ca -0.06 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1j0q n ASP 82 Cb 0.71 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1j0q n ASP 82 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1j0q n ASP 83 N -1.19 0.00 0.00 1.67 9.92 -1.20 -5.12 116.55 120.62 1j0q n ASP 83 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1j0q n ASP 83 Cb 0.25 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87