#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 1.67 -0.03 0.00 -7.23 -1.26 -5.02 120.40 108.53 1j0q s VAL 4 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1j0q s VAL 4 Cb 0.00 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 1j0q s VAL 4 CO 0.00 0.00 -0.03 1.17 -0.31 0.00 0.00 175.10 175.93 1j0q n LYS 5 N -5.12 0.06 -1.44 4.82 0.00 -1.26 -5.11 118.16 110.11 1j0q n LYS 5 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.41 1j0q n LYS 5 Cb 0.57 -0.76 0.00 0.00 0.00 0.00 0.00 35.03 34.85 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 -2.94 -3.07 -3.74 5.64 4.01 -1.26 -4.92 117.16 110.87 1j0q n TYR 6 Ca -0.05 1.66 -0.12 0.00 -0.16 0.00 0.00 57.90 59.22 1j0q n TYR 6 Cb 0.54 -2.57 -0.12 0.00 -0.31 0.00 0.00 39.34 36.88 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 -4.54 -0.35 0.34 -0.72 1.51 0.66 -4.73 117.35 109.52 1j0q s TYR 7 Ca 0.00 0.82 -0.12 0.00 -1.01 0.00 0.00 57.07 56.76 1j0q s TYR 7 Cb 0.00 0.09 -0.08 0.00 -0.11 0.00 0.00 41.96 41.87 1j0q s TYR 7 CO 0.00 -0.22 0.72 0.95 -1.11 0.00 0.00 175.55 175.89 1j0q s THR 8 N 0.91 4.77 0.29 -0.71 -4.23 -1.26 -0.49 115.64 114.92 1j0q s THR 8 Ca -0.06 0.72 0.04 0.00 -1.18 0.00 0.00 61.69 61.21 1j0q s THR 8 Cb -0.07 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.39 1j0q s THR 8 CO -0.06 -0.32 1.78 0.25 -0.54 0.00 0.00 174.62 175.73 1j0q h LEU 9 N 1.85 0.75 -0.97 4.79 6.46 -1.94 0.16 115.31 126.40 1j0q h LEU 9 Ca -0.47 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.48 1j0q h LEU 9 Cb 1.18 -0.04 -0.13 0.00 -0.73 0.00 0.00 40.66 40.94 1j0q h LEU 9 CO 0.65 0.29 -0.53 1.21 -0.62 0.00 0.00 178.44 179.44 1j0q n GLU 10 N -4.77 -0.38 0.01 1.25 4.07 -1.26 -0.68 120.64 118.88 1j0q n GLU 10 Ca 0.22 1.47 -0.13 0.00 -0.06 0.00 0.00 57.16 58.66 1j0q n GLU 10 Cb 0.52 -2.17 -0.09 0.00 -0.06 0.00 0.00 31.44 29.64 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 -0.03 -0.48 5.31 4.39 -1.44 -3.14 114.58 119.18 1j0q h GLU 11 Ca 0.20 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.94 1j0q h GLU 11 Cb 0.44 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1j0q h GLU 11 CO -0.92 0.33 0.25 0.82 -1.16 0.00 0.00 179.01 178.33 1j0q h ILE 12 N -0.39 0.98 -0.31 3.13 2.04 0.28 0.69 117.51 123.92 1j0q h ILE 12 Ca -0.00 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1j0q h ILE 12 Cb 0.37 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1j0q h ILE 12 CO 0.01 0.09 0.11 1.56 0.00 0.00 0.00 178.15 179.92 1j0q h GLN 13 N 0.50 0.24 -0.59 2.37 4.20 -1.01 -2.46 115.11 118.36 1j0q h GLN 13 Ca 0.21 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.99 1j0q h GLN 13 Cb 0.10 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 1j0q h GLN 13 CO -0.14 0.16 0.24 -0.22 -0.67 0.00 0.00 178.83 178.20 1j0q h LYS 14 N 0.25 0.42 -4.37 1.46 1.63 -1.07 -3.26 116.57 111.63 1j0q h LYS 14 Ca 0.14 -0.03 -0.67 0.00 -0.85 0.00 0.00 60.65 59.24 1j0q h LYS 14 Cb 0.11 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1j0q h LYS 14 CO -0.14 0.28 2.69 0.72 -3.45 0.00 0.00 179.45 179.55 1j0q n HIS 15 N -4.97 3.02 -2.06 1.91 8.25 0.08 -3.83 115.22 117.62 1j0q n HIS 15 Ca 0.08 -2.50 -0.00 0.00 -0.26 0.00 0.00 57.72 55.03 1j0q n HIS 15 Cb 0.24 -2.28 -0.00 0.00 1.12 0.00 0.00 29.99 29.07 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 7.12 0.04 -3.15 0.41 0.23 -1.06 -0.53 115.26 118.32 1j0q n ASN 16 Ca 0.51 -1.69 -0.17 0.00 -0.53 0.00 0.00 54.58 52.69 1j0q n ASN 16 Cb 0.40 -0.11 -0.02 0.00 -2.08 0.00 0.00 39.78 37.97 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 0.06 0.53 0.00 0.53 5.15 -1.24 -4.94 115.26 115.35 1j0q n ASN 17 Ca -0.01 -3.05 0.00 0.00 -0.60 0.00 0.00 54.58 50.91 1j0q n ASN 17 Cb 0.69 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 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 0.34 0.00 -0.00 1.20 2.88 -1.26 -4.64 113.62 112.14 1j0q n SER 18 Ca 0.23 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1j0q n SER 18 Cb 0.66 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.00 -0.00 0.00 -1.46 4.76 -1.26 -4.75 118.16 115.45 1j0q n LYS 19 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1j0q n LYS 19 Cb 0.00 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 1j0q n LYS 19 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1j0q n SER 20 N -3.61 0.00 -4.08 4.39 7.64 -1.26 -5.09 113.62 111.61 1j0q n SER 20 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1j0q n SER 20 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 -2.00 2.78 0.10 0.44 2.01 -1.26 -2.56 115.64 115.14 1j0q s THR 21 Ca 0.00 -2.12 -0.00 0.00 0.31 0.00 0.00 61.69 59.88 1j0q s THR 21 Cb 0.00 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1j0q s THR 21 CO 0.00 -0.58 0.26 0.26 -0.69 0.00 0.00 174.62 173.87 1j0q s TRP 22 N 1.04 3.50 0.10 4.92 0.52 0.31 -0.75 118.94 128.59 1j0q s TRP 22 Ca 0.08 0.28 -0.09 0.00 0.02 0.00 0.00 56.10 56.39 1j0q s TRP 22 Cb -0.21 -1.79 -0.00 0.00 -1.15 0.00 0.00 33.47 30.33 1j0q s TRP 22 CO -0.06 0.54 0.22 -0.48 0.02 0.00 0.00 176.95 177.19 1j0q s LEU 23 N -2.71 1.29 -0.24 2.99 0.05 0.16 -0.02 118.68 120.21 1j0q s LEU 23 Ca 0.36 -0.67 -0.12 0.00 0.05 0.00 0.00 54.13 53.75 1j0q s LEU 23 Cb -0.12 1.10 -0.05 0.00 -2.05 0.00 0.00 46.19 45.07 1j0q s LEU 23 CO 0.28 -0.76 0.21 -0.63 -0.55 0.00 0.00 176.35 174.89 1j0q s ILE 24 N -3.88 5.32 -0.37 1.48 1.01 -0.49 -0.74 121.20 123.53 1j0q s ILE 24 Ca 0.07 0.28 0.01 0.00 0.00 0.00 0.00 60.65 61.01 1j0q s ILE 24 Cb 0.04 -3.55 0.12 0.00 0.01 0.00 0.00 42.46 39.08 1j0q s ILE 24 CO -0.09 0.32 0.16 -0.76 0.00 0.00 0.00 174.94 174.57 1j0q s LEU 25 N 1.19 2.46 -0.77 2.97 1.02 -0.95 -0.72 118.68 123.87 1j0q s LEU 25 Ca 0.10 -2.13 -0.01 0.00 0.02 0.00 0.00 54.13 52.11 1j0q s LEU 25 Cb -0.14 -0.94 0.00 0.00 0.02 0.00 0.00 46.19 45.13 1j0q s LEU 25 CO 0.06 -0.34 0.65 1.41 0.02 0.00 0.00 176.35 178.15 1j0q n HIS 26 N 4.20 -1.48 0.00 0.29 8.25 -1.26 -3.74 115.22 121.49 1j0q n HIS 26 Ca 0.04 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 1j0q n HIS 26 Cb 0.38 -3.82 0.00 0.00 1.12 0.00 0.00 29.99 27.68 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 -3.23 0.00 -1.22 4.41 4.01 -1.26 -4.95 117.16 114.91 1j0q n TYR 27 Ca -0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.30 1j0q n TYR 27 Cb 0.59 -0.35 0.11 0.00 -0.31 0.00 0.00 39.34 39.39 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 1.77 -0.05 -0.72 3.01 -1.25 -0.75 119.74 121.75 1j0q s LYS 28 Ca 0.00 1.02 0.05 0.00 -1.01 0.00 0.00 55.97 56.02 1j0q s LYS 28 Cb 0.00 -1.85 -0.02 0.00 -1.01 0.00 0.00 37.83 34.95 1j0q s LYS 28 CO 0.00 -1.94 -0.20 0.08 0.51 0.00 0.00 175.35 173.80 1j0q s VAL 29 N -2.91 2.56 -0.17 3.17 1.01 0.04 -2.24 120.40 121.86 1j0q s VAL 29 Ca 0.62 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1j0q s VAL 29 Cb -0.18 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.29 1j0q s VAL 29 CO 0.56 0.58 0.03 -0.31 0.00 0.00 0.00 175.10 175.96 1j0q s TYR 30 N -0.43 0.95 -0.01 5.22 1.51 0.08 -1.28 117.35 123.38 1j0q s TYR 30 Ca 0.05 -0.70 -0.15 0.00 -1.01 0.00 0.00 57.07 55.25 1j0q s TYR 30 Cb -0.12 -0.98 -0.06 0.00 -0.11 0.00 0.00 41.96 40.70 1j0q s TYR 30 CO 0.02 -0.55 0.42 0.34 -1.11 0.00 0.00 175.55 174.66 1j0q s ASP 31 N 1.88 6.80 0.01 2.29 -1.08 -0.99 -0.66 116.67 124.92 1j0q s ASP 31 Ca 0.00 0.95 -0.03 0.00 -0.52 0.00 0.00 52.55 52.95 1j0q s ASP 31 Cb -0.16 -2.26 -0.01 0.00 -1.46 0.00 0.00 42.92 39.03 1j0q s ASP 31 CO -0.07 0.29 -0.06 0.18 0.52 0.00 0.00 175.17 176.03 1j0q n LEU 32 N 2.00 0.83 0.00 -1.34 4.77 0.07 -4.79 117.00 118.54 1j0q n LEU 32 Ca -0.13 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1j0q n LEU 32 Cb 0.52 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1j0q n LEU 32 CO 0.38 -0.57 0.00 0.41 -1.33 0.00 0.00 177.39 176.28 1j0q n THR 33 N -3.28 0.00 -0.17 -5.08 -1.04 -1.26 -0.61 114.28 102.84 1j0q n THR 33 Ca -0.03 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.94 1j0q n THR 33 Cb 0.10 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.75 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 0.93 0.00 -2.82 3.64 -1.97 -3.14 116.57 113.21 1j0q h LYS 34 Ca 0.00 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1j0q h LYS 34 Cb 0.00 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1j0q h LYS 34 CO 0.00 0.83 -0.24 0.35 -2.27 0.00 0.00 179.45 178.12 1j0q h PHE 35 N 0.90 0.00 -0.94 1.91 3.57 -1.24 -2.69 116.94 118.45 1j0q h PHE 35 Ca 0.19 0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.96 1j0q h PHE 35 Cb 0.31 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 38.91 1j0q h PHE 35 CO 0.02 0.24 0.40 -0.07 -2.23 0.00 0.00 178.31 176.67 1j0q h LEU 36 N 0.00 0.27 0.02 0.59 3.38 -1.74 0.36 115.31 118.19 1j0q h LEU 36 Ca -0.00 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1j0q h LEU 36 Cb 0.50 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1j0q h LEU 36 CO 0.03 -0.12 -0.01 -0.08 0.09 0.00 0.00 178.44 178.35 1j0q h GLU 37 N 0.29 -0.02 -0.55 1.13 4.22 -1.68 -2.91 114.58 115.07 1j0q h GLU 37 Ca 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 60.05 1j0q h GLU 37 Cb 1.33 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1j0q h GLU 37 CO -0.62 0.60 0.27 1.49 -2.18 0.00 0.00 179.01 178.58 1j0q h GLU 38 N -0.68 0.76 -6.39 1.92 4.81 -1.29 -3.45 114.58 110.26 1j0q h GLU 38 Ca -0.00 -0.08 -0.53 0.00 -0.13 0.00 0.00 59.36 58.61 1j0q h GLU 38 Cb 0.63 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.89 1j0q h GLU 38 CO 0.00 0.58 1.20 -1.58 -0.73 0.00 0.00 179.01 178.48 1j0q s HIS 39 N -5.47 1.53 0.32 0.92 2.46 0.12 -4.91 115.29 110.25 1j0q s HIS 39 Ca -0.09 -0.32 0.08 0.00 0.47 0.00 0.00 55.06 55.19 1j0q s HIS 39 Cb 0.17 -4.22 0.80 0.00 -0.13 0.00 0.00 32.58 29.21 1j0q s HIS 39 CO 0.77 -5.33 1.77 -1.35 -2.47 0.00 0.00 174.74 168.13 1j0q h PRO 40 N 10.04 0.67 0.00 2.88 0.11 -1.90 0.18 132.00 143.99 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 1.23 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1j0q h PRO 40 CO 0.94 0.45 -0.01 0.78 -0.21 0.00 0.00 178.00 179.95 1j0q h GLY 41 N 0.69 0.00 0.00 -0.55 0.00 -1.94 -3.49 103.07 97.78 1j0q h GLY 41 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1j0q h GLY 41 CO -0.38 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.77 1j0q n GLY 42 N -0.66 -0.67 0.06 4.60 0.00 0.62 -4.59 105.19 104.55 1j0q n GLY 42 Ca -0.02 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.01 -0.48 1.61 4.22 -1.79 -3.34 114.58 114.78 1j0q h GLU 43 Ca 0.00 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.54 1j0q h GLU 43 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1j0q h GLU 43 CO 0.00 0.36 -0.26 0.93 -2.18 0.00 0.00 179.01 177.86 1j0q h GLU 44 N -1.00 -0.15 0.00 1.92 5.08 -1.90 0.33 114.58 118.86 1j0q h GLU 44 Ca -0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1j0q h GLU 44 Cb 0.38 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1j0q h GLU 44 CO 0.00 -0.10 -0.10 -0.24 -1.00 0.00 0.00 179.01 177.57 1j0q h VAL 45 N -0.15 0.88 0.15 3.13 3.04 -1.81 0.14 116.25 121.63 1j0q h VAL 45 Ca 0.22 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.53 1j0q h VAL 45 Cb 0.50 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1j0q h VAL 45 CO -0.57 0.10 -0.07 -0.07 -1.01 0.00 0.00 177.57 175.94 1j0q h LEU 46 N 0.00 -0.17 -1.20 3.16 3.38 -0.61 -3.28 115.31 116.58 1j0q h LEU 46 Ca -0.00 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1j0q h LEU 46 Cb 0.20 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1j0q h LEU 46 CO 0.01 0.38 0.44 0.03 0.09 0.00 0.00 178.44 179.39 1j0q h ARG 47 N -0.83 0.98 -0.99 1.13 3.08 -0.05 0.32 114.38 118.03 1j0q h ARG 47 Ca -0.02 -0.08 0.20 0.00 0.07 0.00 0.00 59.98 60.14 1j0q h ARG 47 Cb 0.53 -0.21 -0.19 0.00 0.08 0.00 0.00 29.97 30.19 1j0q h ARG 47 CO 0.03 0.69 -0.25 1.49 -1.07 0.00 0.00 179.97 180.86 1j0q h GLU 48 N 1.00 0.00 0.06 0.04 4.81 -0.89 -2.35 114.58 117.25 1j0q h GLU 48 Ca 0.26 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.20 1j0q h GLU 48 Cb -0.04 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1j0q h GLU 48 CO -0.05 0.00 -1.58 1.96 -0.73 0.00 0.00 179.01 178.61 1j0q h GLN 49 N 0.00 0.13 -7.07 1.92 1.08 -0.93 -3.48 115.11 106.76 1j0q h GLN 49 Ca 0.47 -0.22 -0.55 0.00 -1.45 0.00 0.00 58.65 56.91 1j0q h GLN 49 Cb 0.72 0.08 0.18 0.00 -0.05 0.00 0.00 27.48 28.41 1j0q h GLN 49 CO -1.02 0.89 0.26 0.00 -0.95 0.00 0.00 178.83 178.01 1j0q n ALA 50 N -2.62 0.10 -3.56 3.87 0.00 0.89 -2.79 120.51 116.40 1j0q n ALA 50 Ca -0.16 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 52.88 1j0q n ALA 50 Cb 1.03 -2.20 0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 0.88 -0.43 0.22 0.00 0.00 0.97 -4.79 105.19 102.05 1j0q n GLY 51 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.39 0.64 3.77 -0.02 0.00 -1.12 -4.24 105.19 102.83 1j0q n GLY 52 Ca -0.27 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.16 6.68 -0.02 1.61 2.15 -1.26 -1.40 116.67 123.28 1j0q s ASP 53 Ca 0.02 2.50 0.11 0.00 0.43 0.00 0.00 52.55 55.60 1j0q s ASP 53 Cb -0.00 -2.63 0.18 0.00 -0.30 0.00 0.00 42.92 40.17 1j0q s ASP 53 CO -0.00 -0.58 1.08 0.00 -0.17 0.00 0.00 175.17 175.50 1j0q n ALA 54 N 0.50 2.21 0.36 3.66 0.00 0.10 -4.80 120.51 122.54 1j0q n ALA 54 Ca 0.02 -1.66 -0.18 0.00 0.00 0.00 0.00 53.44 51.62 1j0q n ALA 54 Cb 0.44 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 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 6.30 0.34 -0.09 0.00 2.02 -1.75 0.17 112.91 119.90 1j0q h THR 55 Ca -0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1j0q h THR 55 Cb 1.53 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1j0q h THR 55 CO 0.03 0.00 0.05 -0.33 0.37 0.00 0.00 175.52 175.65 1j0q h GLU 56 N -0.89 0.13 -0.85 6.66 5.08 -1.93 -1.76 114.58 121.02 1j0q h GLU 56 Ca -0.09 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1j0q h GLU 56 Cb 0.69 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 1j0q h GLU 56 CO 0.13 0.16 0.53 -0.97 -1.00 0.00 0.00 179.01 177.87 1j0q h ASN 57 N 0.07 0.85 0.43 1.42 -0.73 -1.91 0.24 115.58 115.94 1j0q h ASN 57 Ca 0.03 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.19 1j0q h ASN 57 Cb 0.06 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.49 1j0q h ASN 57 CO -0.01 0.56 -0.20 0.15 -0.37 0.00 0.00 177.43 177.56 1j0q h PHE 58 N 0.99 -0.53 -0.95 0.67 3.57 -0.30 -1.28 116.94 119.11 1j0q h PHE 58 Ca 0.36 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.88 1j0q h PHE 58 Cb 0.13 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1j0q h PHE 58 CO -0.03 -0.32 0.62 0.93 -2.23 0.00 0.00 178.31 177.28 1j0q h GLU 59 N -0.58 1.18 -0.47 1.11 4.39 -0.90 -2.65 114.58 116.67 1j0q h GLU 59 Ca -0.06 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.61 1j0q h GLU 59 Cb 0.44 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1j0q h GLU 59 CO 0.10 0.78 0.24 0.22 -1.16 0.00 0.00 179.01 179.19 1j0q h ASP 60 N 1.22 0.36 0.00 1.42 3.58 -0.31 0.20 116.42 122.89 1j0q h ASP 60 Ca 0.37 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.84 1j0q h ASP 60 Cb -0.04 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1j0q h ASP 60 CO -0.10 0.25 0.00 1.41 -2.88 0.00 0.00 179.24 177.92 1j0q n HIS 61 N -4.89 0.00 0.00 0.28 8.25 -0.50 -4.93 115.22 113.43 1j0q n HIS 61 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1j0q n HIS 61 Cb 0.11 -0.01 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 0.23 1.63 1.92 -1.41 0.00 0.71 -4.88 105.19 103.40 1j0q n GLY 62 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.59 -0.87 1.61 8.25 -1.26 -4.65 115.22 113.70 1j0q n HIS 63 Ca 0.00 2.74 -0.29 0.00 -0.26 0.00 0.00 57.72 59.91 1j0q n HIS 63 Cb 0.00 -3.57 0.20 0.00 1.12 0.00 0.00 29.99 27.74 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 -0.59 2.17 0.38 0.41 0.15 -1.26 -4.69 113.70 110.27 1j0q s SER 64 Ca 0.00 1.50 0.19 0.00 0.70 0.00 0.00 55.95 58.34 1j0q s SER 64 Cb 0.00 -2.19 1.17 0.00 -1.71 0.00 0.00 66.02 63.29 1j0q s SER 64 CO 0.00 -3.46 1.68 0.71 1.20 0.00 0.00 173.24 173.37 1j0q h THR 65 N -2.11 0.31 0.09 6.45 1.35 -1.98 0.29 112.91 117.31 1j0q h THR 65 Ca -0.55 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1j0q h THR 65 Cb 1.31 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1j0q h THR 65 CO 0.52 0.05 -0.05 0.44 -0.25 0.00 0.00 175.52 176.24 1j0q h ASP 66 N 0.28 -0.11 -0.43 5.36 5.19 -1.98 0.24 116.42 124.97 1j0q h ASP 66 Ca 0.73 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 1j0q h ASP 66 Cb 1.86 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 41.38 1j0q h ASP 66 CO -0.49 0.32 0.23 0.00 -3.12 0.00 0.00 179.24 176.17 1j0q h ALA 67 N 0.28 0.56 -0.09 3.45 0.00 -1.76 0.46 119.26 122.16 1j0q h ALA 67 Ca -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1j0q h ALA 67 Cb 0.46 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1j0q h ALA 67 CO 0.02 0.10 -0.46 0.00 0.00 0.00 0.00 179.25 178.91 1j0q h ARG 68 N 0.56 -0.53 -0.21 0.00 3.08 -0.84 0.78 114.38 117.21 1j0q h ARG 68 Ca 0.15 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.29 1j0q h ARG 68 Cb 0.08 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 1j0q h ARG 68 CO -0.02 -0.36 -0.35 1.49 -1.07 0.00 0.00 179.97 179.66 1j0q h GLU 69 N -0.55 -0.37 -0.85 0.04 4.22 -0.21 -1.59 114.58 115.27 1j0q h GLU 69 Ca 0.05 0.02 0.19 0.00 0.08 0.00 0.00 59.36 59.71 1j0q h GLU 69 Cb 0.66 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.88 1j0q h GLU 69 CO -0.39 -0.24 0.36 -0.07 -2.18 0.00 0.00 179.01 176.49 1j0q h LEU 70 N -0.38 0.31 -0.64 1.64 -0.00 -0.33 0.30 115.31 116.21 1j0q h LEU 70 Ca 0.11 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1j0q h LEU 70 Cb 0.57 0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.31 1j0q h LEU 70 CO -0.42 0.04 0.35 0.77 -0.00 0.00 0.00 178.44 179.18 1j0q h SER 71 N 0.42 0.79 -0.14 -0.43 4.64 0.12 0.29 113.55 119.24 1j0q h SER 71 Ca 0.51 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.77 1j0q h SER 71 Cb 0.90 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 1j0q h SER 71 CO -0.49 0.65 -0.07 0.11 -0.87 0.00 0.00 176.83 176.17 1j0q h LYS 72 N 0.87 -0.05 -0.23 4.77 1.57 0.01 -0.23 116.57 123.28 1j0q h LYS 72 Ca 0.22 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 1j0q h LYS 72 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1j0q h LYS 72 CO -0.04 -0.03 0.17 1.15 -0.57 0.00 0.00 179.45 180.12 1j0q h THR 73 N -0.05 0.88 -0.00 -0.16 2.02 -0.44 -0.41 112.91 114.75 1j0q h THR 73 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1j0q h THR 73 Cb 0.17 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1j0q h THR 73 CO -0.17 0.00 -0.13 0.49 0.37 0.00 0.00 175.52 176.08 1j0q n PHE 74 N -4.46 0.00 -1.67 3.16 3.72 0.93 -4.88 117.46 114.26 1j0q n PHE 74 Ca 0.02 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.92 1j0q n PHE 74 Cb 0.31 -0.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.01 0.28 0.00 4.37 5.41 -0.16 -2.34 119.36 125.90 1j0q n ILE 75 Ca 0.13 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1j0q n ILE 75 Cb 0.29 -1.48 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 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 4.15 0.00 -1.20 1.39 -5.35 -0.41 -4.95 119.36 113.00 1j0q n ILE 76 Ca 0.21 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1j0q n ILE 76 Cb 0.24 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 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 0.99 -1.48 3.18 3.28 0.00 -1.20 -4.90 105.19 105.06 1j0q n GLY 77 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.47 0.82 -0.42 1.61 8.01 -1.26 -0.78 118.70 125.21 1j0q s GLU 78 Ca 0.00 -1.09 -0.26 0.00 0.01 0.00 0.00 54.97 53.63 1j0q s GLU 78 Cb 0.00 0.30 0.02 0.00 -4.31 0.00 0.00 34.13 30.14 1j0q s GLU 78 CO 0.00 -0.24 0.96 -1.17 0.01 0.00 0.00 175.26 174.82 1j0q s LEU 79 N -2.90 3.95 0.04 1.80 1.98 0.07 -0.25 118.68 123.37 1j0q s LEU 79 Ca 0.08 0.39 -0.32 0.00 -2.89 0.00 0.00 54.13 51.39 1j0q s LEU 79 Cb 0.06 -3.28 -0.11 0.00 0.66 0.00 0.00 46.19 43.52 1j0q s LEU 79 CO -0.09 -0.99 1.86 1.57 -1.89 0.00 0.00 176.35 176.81 1j0q n HIS 80 N 7.08 2.46 0.35 5.38 -0.00 0.36 -4.84 115.22 126.01 1j0q n HIS 80 Ca 0.07 -0.11 0.10 0.00 -0.00 0.00 0.00 57.72 57.79 1j0q n HIS 80 Cb 0.48 -2.71 0.45 0.00 -0.00 0.00 0.00 29.99 28.22 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 6.16 0.14 -0.10 1.57 -0.02 -1.26 -1.08 135.00 140.41 1j0q n PRO 81 Ca 0.20 0.43 0.21 0.00 -2.02 0.00 0.00 63.50 62.32 1j0q n PRO 81 Cb 0.35 -1.80 0.64 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.12 0.00 2.55 3.58 -2.00 -1.55 116.42 119.12 1j0q h ASP 82 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1j0q h ASP 82 Cb 0.26 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1j0q h ASP 82 CO 0.00 0.06 0.00 -0.67 -2.88 0.00 0.00 179.24 175.75 1j0q n ASP 83 N -4.39 0.00 -0.82 2.28 -0.08 -0.24 -5.20 116.55 108.10 1j0q n ASP 83 Ca 0.13 0.89 0.13 0.00 -1.51 0.00 0.00 54.79 54.43 1j0q n ASP 83 Cb 0.67 -0.39 0.23 0.00 2.34 0.00 0.00 41.12 43.97 1j0q n ASP 83 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18