#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 0.03 0.00 0.24 -1.26 -5.04 118.33 112.30 1j0q n VAL 4 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1j0q n VAL 4 Cb 0.00 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 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 -5.50 0.00 -1.01 7.34 0.00 -1.26 -5.13 118.16 112.60 1j0q n LYS 5 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.45 1j0q n LYS 5 Cb 0.58 -0.41 0.00 0.00 0.00 0.00 0.00 35.03 35.21 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 -3.20 -2.79 -3.74 5.64 4.02 -1.26 -4.97 117.16 110.86 1j0q n TYR 6 Ca 0.00 1.49 -0.13 0.00 -0.01 0.00 0.00 57.90 59.25 1j0q n TYR 6 Cb 0.20 -2.56 -0.14 0.00 -0.02 0.00 0.00 39.34 36.82 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 -3.60 -0.19 0.35 -0.72 1.51 0.69 -4.80 117.35 110.59 1j0q s TYR 7 Ca 0.00 0.54 -0.13 0.00 -1.01 0.00 0.00 57.07 56.47 1j0q s TYR 7 Cb 0.00 -0.06 -0.08 0.00 -0.11 0.00 0.00 41.96 41.71 1j0q s TYR 7 CO 0.00 -0.18 0.75 0.95 -1.11 0.00 0.00 175.55 175.96 1j0q s THR 8 N 1.20 4.72 0.31 -0.71 -4.23 -1.26 -0.36 115.64 115.32 1j0q s THR 8 Ca -0.09 0.82 0.05 0.00 -1.18 0.00 0.00 61.69 61.29 1j0q s THR 8 Cb -0.11 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.37 1j0q s THR 8 CO -0.06 -0.31 1.83 0.25 -0.54 0.00 0.00 174.62 175.78 1j0q h LEU 9 N 1.88 0.81 -0.59 4.79 6.46 -1.95 0.17 115.31 126.87 1j0q h LEU 9 Ca -0.48 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.40 1j0q h LEU 9 Cb 1.18 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.94 1j0q h LEU 9 CO 0.65 0.38 -0.35 -0.08 -0.62 0.00 0.00 178.44 178.42 1j0q h GLU 10 N 0.84 -0.00 0.02 1.25 4.57 -2.00 0.14 114.58 119.39 1j0q h GLU 10 Ca 0.51 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.69 1j0q h GLU 10 Cb 0.69 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1j0q h GLU 10 CO -0.28 -0.00 -0.01 0.93 -1.18 0.00 0.00 179.01 178.47 1j0q h GLU 11 N -0.00 -0.02 -0.31 1.92 4.39 -1.42 -2.16 114.58 116.98 1j0q h GLU 11 Ca 0.09 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.81 1j0q h GLU 11 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1j0q h GLU 11 CO -0.55 -0.02 0.17 0.82 -1.16 0.00 0.00 179.01 178.27 1j0q h ILE 12 N -0.03 1.01 -0.28 3.13 2.04 -0.05 0.23 117.51 123.56 1j0q h ILE 12 Ca -0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1j0q h ILE 12 Cb 0.02 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1j0q h ILE 12 CO 0.00 0.06 0.15 1.56 0.00 0.00 0.00 178.15 179.92 1j0q h GLN 13 N 0.34 0.40 -0.87 2.37 4.20 -0.72 -2.31 115.11 118.53 1j0q h GLN 13 Ca 0.12 -0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.91 1j0q h GLN 13 Cb 0.02 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.66 1j0q h GLN 13 CO -0.07 0.37 0.56 -0.22 -0.67 0.00 0.00 178.83 178.80 1j0q h LYS 14 N 0.33 0.69 -5.18 1.46 3.11 -0.65 -3.20 116.57 113.14 1j0q h LYS 14 Ca 0.10 -0.04 -0.71 0.00 -2.81 0.00 0.00 60.65 57.19 1j0q h LYS 14 Cb 0.09 -0.16 -0.13 0.00 -1.00 0.00 0.00 32.23 31.04 1j0q h LYS 14 CO -0.01 0.46 1.85 0.72 -2.81 0.00 0.00 179.45 179.65 1j0q n HIS 15 N -4.54 4.70 -2.38 1.91 8.25 0.74 -4.52 115.22 119.38 1j0q n HIS 15 Ca 0.16 -3.08 0.02 0.00 -0.26 0.00 0.00 57.72 54.56 1j0q n HIS 15 Cb 0.43 -2.40 0.01 0.00 1.12 0.00 0.00 29.99 29.14 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 6.84 0.62 0.00 0.41 6.94 -1.21 -0.38 115.26 128.49 1j0q n ASN 16 Ca 0.43 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 53.01 1j0q n ASN 16 Cb 0.44 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 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 0.38 2.91 0.22 0.53 0.23 -1.26 -4.89 115.26 113.39 1j0q n ASN 17 Ca 0.01 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.19 1j0q n ASN 17 Cb 1.04 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 39.07 1j0q n ASN 17 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1j0q h SER 18 N 0.00 0.00 -1.47 0.53 0.02 -1.99 0.45 113.55 111.09 1j0q h SER 18 Ca 0.00 0.00 0.43 0.00 -0.84 0.00 0.00 61.79 61.38 1j0q h SER 18 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1j0q h SER 18 CO 0.00 0.00 1.04 0.11 -1.14 0.00 0.00 176.83 176.84 1j0q h LYS 19 N 0.00 0.03 0.00 3.45 1.79 -1.96 -3.47 116.57 116.41 1j0q h LYS 19 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1j0q h LYS 19 Cb 0.83 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1j0q h LYS 19 CO 0.00 0.02 0.00 0.43 -1.08 0.00 0.00 179.45 178.82 1j0q n SER 20 N -4.18 0.00 -4.56 0.86 7.64 0.15 -4.98 113.62 108.55 1j0q n SER 20 Ca 0.33 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.80 1j0q n SER 20 Cb 1.51 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 64.64 1j0q n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1j0q s THR 21 N -0.55 4.93 0.23 0.44 2.01 -1.21 -3.58 115.64 117.91 1j0q s THR 21 Ca 0.00 0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.51 1j0q s THR 21 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1j0q s THR 21 CO 0.00 -0.31 0.20 0.26 -0.69 0.00 0.00 174.62 174.08 1j0q s TRP 22 N 2.60 3.15 0.13 4.92 0.52 0.49 -0.83 118.94 129.93 1j0q s TRP 22 Ca 0.22 -0.08 -0.16 0.00 0.02 0.00 0.00 56.10 56.10 1j0q s TRP 22 Cb -0.15 -1.44 0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1j0q s TRP 22 CO 0.15 0.52 0.41 -0.48 0.02 0.00 0.00 176.95 177.56 1j0q s LEU 23 N -3.68 0.38 -0.20 2.99 0.05 0.09 -0.15 118.68 118.16 1j0q s LEU 23 Ca 0.33 -0.31 -0.05 0.00 0.05 0.00 0.00 54.13 54.14 1j0q s LEU 23 Cb -0.08 1.86 -0.03 0.00 -2.05 0.00 0.00 46.19 45.89 1j0q s LEU 23 CO 0.25 -0.86 0.00 -0.63 -0.55 0.00 0.00 176.35 174.57 1j0q s ILE 24 N -3.80 4.01 -0.30 1.48 1.01 -0.45 -0.93 121.20 122.21 1j0q s ILE 24 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1j0q s ILE 24 Cb 0.02 -2.81 0.10 0.00 0.01 0.00 0.00 42.46 39.77 1j0q s ILE 24 CO -0.12 0.43 0.09 -0.76 0.00 0.00 0.00 174.94 174.57 1j0q s LEU 25 N 0.97 2.29 -0.73 2.97 1.02 -0.58 -0.66 118.68 123.96 1j0q s LEU 25 Ca 0.02 -1.59 -0.01 0.00 0.02 0.00 0.00 54.13 52.57 1j0q s LEU 25 Cb -0.14 -0.89 -0.01 0.00 0.02 0.00 0.00 46.19 45.16 1j0q s LEU 25 CO 0.02 -0.40 0.62 1.41 0.02 0.00 0.00 176.35 178.01 1j0q n HIS 26 N 4.83 -1.42 0.00 0.29 8.25 -1.26 -3.46 115.22 122.46 1j0q n HIS 26 Ca -0.03 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1j0q n HIS 26 Cb 0.42 -3.84 0.00 0.00 1.12 0.00 0.00 29.99 27.69 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 -2.88 0.00 -1.79 4.41 4.01 -1.26 -4.93 117.16 114.72 1j0q n TYR 27 Ca -0.15 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.23 1j0q n TYR 27 Cb 0.60 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.69 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1j0q s LYS 28 N 0.00 2.63 -0.02 -0.72 -0.14 -1.22 -0.69 119.74 119.57 1j0q s LYS 28 Ca 0.00 1.96 0.05 0.00 -1.36 0.00 0.00 55.97 56.62 1j0q s LYS 28 Cb 0.00 -1.87 -0.03 0.00 -1.68 0.00 0.00 37.83 34.26 1j0q s LYS 28 CO 0.00 -1.51 -0.17 0.08 -0.76 0.00 0.00 175.35 172.99 1j0q s VAL 29 N -1.52 2.86 -0.06 3.17 1.01 -0.14 -1.52 120.40 124.20 1j0q s VAL 29 Ca 0.80 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1j0q s VAL 29 Cb -0.35 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1j0q s VAL 29 CO 0.38 0.52 -0.03 -0.31 0.00 0.00 0.00 175.10 175.66 1j0q s TYR 30 N -0.77 0.79 0.86 5.22 2.02 -0.11 -1.68 117.35 123.69 1j0q s TYR 30 Ca 0.12 -0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.46 1j0q s TYR 30 Cb -0.10 -0.77 0.11 0.00 -0.40 0.00 0.00 41.96 40.80 1j0q s TYR 30 CO 0.02 -0.27 1.09 0.34 -1.57 0.00 0.00 175.55 175.16 1j0q s ASP 31 N 1.35 3.80 0.00 2.29 2.15 -0.81 -0.73 116.67 124.72 1j0q s ASP 31 Ca -0.04 1.49 0.00 0.00 0.43 0.00 0.00 52.55 54.43 1j0q s ASP 31 Cb -0.13 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1j0q s ASP 31 CO -0.02 -2.43 0.27 0.18 -0.17 0.00 0.00 175.17 172.99 1j0q n LEU 32 N -3.75 0.00 -0.30 -1.34 4.77 -0.01 -4.85 117.00 111.51 1j0q n LEU 32 Ca 0.07 -0.19 0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1j0q n LEU 32 Cb 0.55 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.89 1j0q n LEU 32 CO 0.55 0.20 1.10 0.74 -1.33 0.00 0.00 177.39 178.66 1j0q h THR 33 N 2.84 0.69 -0.24 -5.08 2.02 -1.95 0.69 112.91 111.88 1j0q h THR 33 Ca 0.00 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 1j0q h THR 33 Cb 0.96 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1j0q h THR 33 CO 0.00 0.11 -0.08 0.50 0.37 0.00 0.00 175.52 176.42 1j0q h LYS 34 N 0.61 0.47 0.00 6.66 3.64 -1.96 -3.31 116.57 122.69 1j0q h LYS 34 Ca 0.49 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1j0q h LYS 34 Cb 0.75 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1j0q h LYS 34 CO -0.39 0.72 -0.17 0.35 -2.27 0.00 0.00 179.45 177.69 1j0q h PHE 35 N 0.20 0.00 -0.77 1.91 3.57 -0.13 0.46 116.94 122.18 1j0q h PHE 35 Ca 0.06 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.83 1j0q h PHE 35 Cb 0.56 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.16 1j0q h PHE 35 CO 0.06 0.17 0.25 1.28 -2.23 0.00 0.00 178.31 177.84 1j0q n LEU 36 N -4.00 0.12 -0.18 0.59 4.77 0.22 -0.06 117.00 118.47 1j0q n LEU 36 Ca -0.02 1.28 -0.08 0.00 -0.03 0.00 0.00 56.01 57.16 1j0q n LEU 36 Cb 0.25 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1j0q n LEU 36 CO 0.34 -1.38 0.94 -0.33 -1.33 0.00 0.00 177.39 175.63 1j0q h GLU 37 N 0.00 0.78 0.00 3.23 5.08 -1.11 -3.34 114.58 119.22 1j0q h GLU 37 Ca 0.57 -0.15 -0.30 0.00 -1.00 0.00 0.00 59.36 58.48 1j0q h GLU 37 Cb 1.41 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 1j0q h GLU 37 CO -0.64 0.71 -2.09 0.39 -1.00 0.00 0.00 179.01 176.37 1j0q n GLU 38 N -4.52 0.67 -1.68 2.33 1.02 0.92 -4.96 120.64 114.41 1j0q n GLU 38 Ca 0.02 0.08 -0.49 0.00 -0.02 0.00 0.00 57.16 56.74 1j0q n GLU 38 Cb 0.17 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 1j0q n GLU 38 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1j0q n HIS 39 N -2.80 2.29 -0.32 -0.32 -0.00 0.85 -4.88 115.22 110.03 1j0q n HIS 39 Ca -0.24 0.08 0.16 0.00 0.46 0.00 0.00 57.72 58.18 1j0q n HIS 39 Cb 1.06 -2.63 0.40 0.00 -0.12 0.00 0.00 29.99 28.69 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 8.82 0.59 0.00 1.57 0.11 -1.93 0.15 132.00 141.31 1j0q h PRO 40 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1j0q h PRO 40 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1j0q h PRO 40 CO 0.95 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.54 1j0q n GLY 41 N -1.39 -1.05 0.16 -0.55 0.00 -1.26 -5.01 105.19 96.09 1j0q n GLY 41 Ca 0.23 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.25 -1.51 0.05 -0.02 0.00 0.52 -4.60 105.19 99.38 1j0q n GLY 42 Ca 0.02 -1.49 -0.01 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.15 -0.07 0.00 1.61 4.22 -1.85 -3.36 114.58 114.98 1j0q h GLU 43 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1j0q h GLU 43 Cb 0.15 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1j0q h GLU 43 CO 0.00 -0.05 0.00 0.39 -2.18 0.00 0.00 179.01 177.17 1j0q n GLU 44 N -3.56 0.00 -0.07 1.92 -0.58 -1.26 0.23 120.64 117.32 1j0q n GLU 44 Ca -0.01 0.19 0.11 0.00 -0.42 0.00 0.00 57.16 57.03 1j0q n GLU 44 Cb 0.03 -0.32 0.50 0.00 -0.57 0.00 0.00 31.44 31.08 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 0.92 -0.09 2.62 3.04 -1.81 0.06 116.25 120.98 1j0q h VAL 45 Ca 0.00 -0.14 -0.11 0.00 -1.01 0.00 0.00 66.70 65.44 1j0q h VAL 45 Cb 0.00 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1j0q h VAL 45 CO 0.00 0.08 -0.37 0.25 -1.01 0.00 0.00 177.57 176.52 1j0q h LEU 46 N 0.42 0.48 -0.38 3.16 5.85 -0.37 -3.17 115.31 121.29 1j0q h LEU 46 Ca 0.26 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.36 1j0q h LEU 46 Cb 0.48 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1j0q h LEU 46 CO -0.07 1.03 0.24 -0.09 -0.34 0.00 0.00 178.44 179.21 1j0q h ARG 47 N -0.03 0.48 0.00 1.25 2.43 0.64 0.18 114.38 119.33 1j0q h ARG 47 Ca -0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1j0q h ARG 47 Cb 1.00 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1j0q h ARG 47 CO 0.08 0.32 0.09 1.49 -1.51 0.00 0.00 179.97 180.44 1j0q h GLU 48 N 0.50 0.00 0.00 0.20 4.57 -1.07 -0.66 114.58 118.11 1j0q h GLU 48 Ca 0.15 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.22 1j0q h GLU 48 Cb -0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1j0q h GLU 48 CO -0.05 0.00 -1.78 1.04 -1.18 0.00 0.00 179.01 177.05 1j0q n GLN 49 N -2.86 1.04 -1.28 1.92 1.13 -0.67 -5.03 117.38 111.63 1j0q n GLN 49 Ca -0.02 -0.08 -0.36 0.00 -1.94 0.00 0.00 57.00 54.60 1j0q n GLN 49 Cb 0.15 -1.35 0.08 0.00 0.11 0.00 0.00 30.24 29.24 1j0q n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j0q n ALA 50 N -2.22 -0.81 -3.77 -1.58 0.00 0.54 -2.42 120.51 110.24 1j0q n ALA 50 Ca -0.11 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.86 1j0q n ALA 50 Cb 0.62 -2.01 0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 1.28 -0.34 3.82 0.00 0.00 0.79 -4.76 105.19 105.99 1j0q n GLY 51 Ca 0.12 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 1j0q n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j0q s GLY 52 N -4.28 -0.02 -0.19 -0.02 0.00 -1.02 -4.22 107.32 97.57 1j0q s GLY 52 Ca 0.05 -0.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.32 1j0q s GLY 52 CO 0.84 1.12 1.15 -0.35 0.00 0.00 0.00 173.10 175.86 1j0q s ASP 53 N -3.17 7.03 -0.21 1.64 -1.08 -1.26 -1.34 116.67 118.27 1j0q s ASP 53 Ca 0.17 1.55 0.13 0.00 -0.52 0.00 0.00 52.55 53.88 1j0q s ASP 53 Cb -0.02 -2.54 0.42 0.00 -1.46 0.00 0.00 42.92 39.32 1j0q s ASP 53 CO 0.04 -0.70 1.28 0.00 0.52 0.00 0.00 175.17 176.31 1j0q n ALA 54 N 6.37 3.44 -0.06 3.66 0.00 0.17 -4.82 120.51 129.27 1j0q n ALA 54 Ca 0.13 -3.04 -0.11 0.00 0.00 0.00 0.00 53.44 50.42 1j0q n ALA 54 Cb 0.46 -0.47 -0.04 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 0.83 1.19 0.96 0.00 2.02 -1.90 0.19 112.91 116.19 1j0q h THR 55 Ca 0.05 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 1j0q h THR 55 Cb 1.19 1.20 0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1j0q h THR 55 CO 0.11 0.19 -0.48 -0.08 0.37 0.00 0.00 175.52 175.63 1j0q h GLU 56 N 0.16 -1.26 -0.76 6.66 4.81 -1.92 -0.97 114.58 121.30 1j0q h GLU 56 Ca 0.07 0.09 0.14 0.00 -0.13 0.00 0.00 59.36 59.52 1j0q h GLU 56 Cb 0.23 0.29 -0.09 0.00 0.63 0.00 0.00 28.75 29.81 1j0q h GLU 56 CO -0.00 -0.84 0.31 -0.97 -0.73 0.00 0.00 179.01 176.78 1j0q h ASN 57 N -1.31 0.30 0.49 1.04 -0.73 -1.89 0.15 115.58 113.63 1j0q h ASN 57 Ca -0.13 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1j0q h ASN 57 Cb 1.01 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.66 1j0q h ASN 57 CO 0.20 0.12 -0.41 0.15 -0.37 0.00 0.00 177.43 177.12 1j0q h PHE 58 N 0.46 -1.10 0.02 0.67 3.57 -0.49 -0.98 116.94 119.08 1j0q h PHE 58 Ca 0.42 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.92 1j0q h PHE 58 Cb 0.62 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1j0q h PHE 58 CO -0.16 -0.58 -0.01 1.49 -2.23 0.00 0.00 178.31 176.82 1j0q h GLU 59 N -0.89 -0.02 -0.93 1.11 4.57 -0.15 -2.70 114.58 115.57 1j0q h GLU 59 Ca -0.05 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.26 1j0q h GLU 59 Cb 0.76 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 29.22 1j0q h GLU 59 CO -0.02 0.16 -0.42 -3.47 -1.18 0.00 0.00 179.01 174.08 1j0q n ASP 60 N -5.02 -0.72 -0.98 1.04 -0.08 0.42 0.19 116.55 111.41 1j0q n ASP 60 Ca -0.08 1.63 0.00 0.00 -1.51 0.00 0.00 54.79 54.84 1j0q n ASP 60 Cb 0.12 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.25 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 -5.31 0.00 0.00 -0.67 8.25 -0.37 -4.91 115.22 112.21 1j0q n HIS 61 Ca 0.07 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1j0q n HIS 61 Cb 0.33 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 0.50 1.32 3.07 -1.41 0.00 0.13 -4.83 105.19 103.97 1j0q n GLY 62 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.11 -0.40 1.61 8.25 -1.25 -4.66 115.22 116.66 1j0q n HIS 63 Ca 0.00 0.90 -0.30 0.00 -0.26 0.00 0.00 57.72 58.07 1j0q n HIS 63 Cb 0.00 -2.41 0.28 0.00 1.12 0.00 0.00 29.99 28.99 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 -1.48 -0.53 0.18 0.41 0.01 -1.26 -4.55 113.70 106.49 1j0q s SER 64 Ca 0.11 1.07 -0.26 0.00 1.31 0.00 0.00 55.95 58.18 1j0q s SER 64 Cb -0.02 -1.58 0.04 0.00 0.21 0.00 0.00 66.02 64.67 1j0q s SER 64 CO 0.49 -5.07 1.55 0.71 0.41 0.00 0.00 173.24 171.33 1j0q h THR 65 N -3.22 0.01 -0.38 1.44 1.35 -1.98 -0.84 112.91 109.29 1j0q h THR 65 Ca -0.50 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.30 1j0q h THR 65 Cb 1.34 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 1j0q h THR 65 CO 0.36 0.00 -0.02 0.44 -0.25 0.00 0.00 175.52 176.05 1j0q h ASP 66 N -0.03 0.57 0.19 5.36 5.19 -1.98 0.41 116.42 126.13 1j0q h ASP 66 Ca 0.22 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1j0q h ASP 66 Cb 0.49 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1j0q h ASP 66 CO -0.93 0.66 -0.09 0.00 -3.12 0.00 0.00 179.24 175.76 1j0q h ALA 67 N 1.41 -0.26 -0.37 3.45 0.00 -1.73 0.42 119.26 122.18 1j0q h ALA 67 Ca 0.12 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1j0q h ALA 67 Cb 0.40 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1j0q h ALA 67 CO 0.02 -0.62 -0.44 0.00 0.00 0.00 0.00 179.25 178.21 1j0q h ARG 68 N -0.30 -0.34 -0.47 0.00 -0.00 0.61 0.99 114.38 114.87 1j0q h ARG 68 Ca -0.03 0.02 0.09 0.00 -0.50 0.00 0.00 59.98 59.57 1j0q h ARG 68 Cb 0.23 0.08 -0.10 0.00 0.00 0.00 0.00 29.97 30.18 1j0q h ARG 68 CO 0.04 -0.23 -0.30 0.93 0.00 0.00 0.00 179.97 180.42 1j0q h GLU 69 N -0.35 -0.18 -0.69 0.04 4.39 -0.26 -0.70 114.58 116.82 1j0q h GLU 69 Ca 0.13 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.97 1j0q h GLU 69 Cb 0.59 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.19 1j0q h GLU 69 CO -0.55 -0.12 0.22 -0.07 -1.16 0.00 0.00 179.01 177.32 1j0q h LEU 70 N -0.19 0.13 -0.80 1.33 -0.00 0.23 0.08 115.31 116.09 1j0q h LEU 70 Ca 0.20 0.12 0.08 0.00 -0.00 0.00 0.00 57.88 58.28 1j0q h LEU 70 Cb 0.52 0.13 -0.07 0.00 -0.00 0.00 0.00 40.66 41.25 1j0q h LEU 70 CO -0.58 0.05 0.47 0.28 -0.00 0.00 0.00 178.44 178.65 1j0q h SER 71 N 0.35 0.69 -0.02 -0.43 0.02 0.64 0.17 113.55 114.97 1j0q h SER 71 Ca 0.38 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.40 1j0q h SER 71 Cb 0.58 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 1j0q h SER 71 CO -0.42 0.42 -0.26 0.11 -1.14 0.00 0.00 176.83 175.53 1j0q h LYS 72 N 0.81 -0.38 -0.32 3.45 1.57 -0.26 0.32 116.57 121.76 1j0q h LYS 72 Ca 0.37 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 1j0q h LYS 72 Cb 0.28 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1j0q h LYS 72 CO -0.22 -0.25 0.04 0.00 -0.57 0.00 0.00 179.45 178.46 1j0q h THR 73 N -0.39 1.17 0.00 -0.16 1.03 -0.98 -1.94 112.91 111.64 1j0q h THR 73 Ca 0.07 -0.63 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 1j0q h THR 73 Cb 0.48 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 1j0q h THR 73 CO -0.24 0.22 0.00 0.49 -0.01 0.00 0.00 175.52 175.98 1j0q n PHE 74 N -4.33 0.00 -1.61 0.00 3.72 -0.02 -4.89 117.46 110.33 1j0q n PHE 74 Ca 0.01 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.95 1j0q n PHE 74 Cb 0.20 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.06 1.22 0.00 4.37 2.08 -0.02 -1.93 119.36 124.02 1j0q n ILE 75 Ca 0.20 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1j0q n ILE 75 Cb 0.13 -1.11 0.00 0.00 -0.75 0.00 0.00 39.64 37.91 1j0q n ILE 75 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1j0q n ILE 76 N 1.27 0.00 -0.73 1.39 -5.35 -0.68 -4.84 119.36 110.42 1j0q n ILE 76 Ca 0.12 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1j0q n ILE 76 Cb 0.29 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 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 0.36 -1.51 3.14 3.28 0.00 -1.16 -4.92 105.19 104.39 1j0q n GLY 77 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.67 0.62 -0.14 1.61 8.01 -1.26 -0.97 118.70 124.91 1j0q s GLU 78 Ca 0.00 -0.67 -0.29 0.00 0.01 0.00 0.00 54.97 54.02 1j0q s GLU 78 Cb 0.00 0.25 -0.02 0.00 -4.31 0.00 0.00 34.13 30.06 1j0q s GLU 78 CO 0.00 -0.17 1.18 -1.17 0.01 0.00 0.00 175.26 175.12 1j0q s LEU 79 N -2.04 4.20 -0.24 1.80 0.20 0.13 -0.22 118.68 122.51 1j0q s LEU 79 Ca -0.06 1.66 -0.29 0.00 0.69 0.00 0.00 54.13 56.13 1j0q s LEU 79 Cb -0.02 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.18 1j0q s LEU 79 CO -0.04 -0.66 1.55 -2.28 -0.29 0.00 0.00 176.35 174.63 1j0q s HIS 80 N 2.93 2.22 0.21 5.38 5.65 0.51 -4.85 115.29 127.35 1j0q s HIS 80 Ca 0.53 0.62 0.20 0.00 0.25 0.00 0.00 55.06 56.66 1j0q s HIS 80 Cb -0.21 -3.98 1.11 0.00 -1.18 0.00 0.00 32.58 28.32 1j0q s HIS 80 CO 0.16 -2.66 1.57 -1.35 -0.65 0.00 0.00 174.74 171.81 1j0q h PRO 81 N 10.49 0.00 0.00 2.88 0.11 -1.92 0.23 132.00 143.79 1j0q h PRO 81 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1j0q h PRO 81 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1j0q h PRO 81 CO 1.01 0.00 0.04 0.22 -0.21 0.00 0.00 178.00 179.06 1j0q h ASP 82 N 0.00 0.00 0.00 -2.05 3.58 -2.00 -3.33 116.42 112.62 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 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 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 -2.72 0.00 0.00 2.28 2.03 0.07 -5.15 116.55 113.06 1j0q n ASP 83 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1j0q n ASP 83 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82