#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 0.00 -0.20 0.00 -7.23 -1.26 -5.09 120.40 106.63 1j0q s VAL 4 Ca 0.00 -1.58 -0.14 0.00 -1.81 0.00 0.00 61.98 58.45 1j0q s VAL 4 Cb 0.00 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 1j0q s VAL 4 CO 0.00 0.00 -0.32 0.29 -0.31 0.00 0.00 175.10 174.76 1j0q n LYS 5 N -0.54 0.50 -0.52 4.82 5.02 -1.26 -5.14 118.16 121.05 1j0q n LYS 5 Ca 0.00 0.21 0.02 0.00 -2.02 0.00 0.00 58.31 56.52 1j0q n LYS 5 Cb 0.62 -1.35 -0.01 0.00 -0.02 0.00 0.00 35.03 34.26 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j0q n TYR 6 N -4.24 -1.41 -3.68 2.13 4.01 -1.26 -5.06 117.16 107.64 1j0q n TYR 6 Ca -0.29 0.77 -0.18 0.00 -0.16 0.00 0.00 57.90 58.04 1j0q n TYR 6 Cb 0.64 -1.44 -0.16 0.00 -0.31 0.00 0.00 39.34 38.06 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 -4.16 -0.07 0.43 -0.72 2.02 -0.13 -4.90 117.35 109.82 1j0q s TYR 7 Ca 0.00 0.44 -0.09 0.00 -0.37 0.00 0.00 57.07 57.04 1j0q s TYR 7 Cb 0.00 -0.33 -0.06 0.00 -0.40 0.00 0.00 41.96 41.17 1j0q s TYR 7 CO 0.00 -0.22 0.79 0.95 -1.57 0.00 0.00 175.55 175.50 1j0q s THR 8 N 2.08 4.81 0.40 -0.71 -4.23 -1.26 -0.25 115.64 116.47 1j0q s THR 8 Ca 0.02 0.54 0.13 0.00 -1.18 0.00 0.00 61.69 61.21 1j0q s THR 8 Cb -0.12 -3.77 0.34 0.00 1.34 0.00 0.00 72.50 70.30 1j0q s THR 8 CO -0.05 -0.62 1.89 0.25 -0.54 0.00 0.00 174.62 175.55 1j0q h LEU 9 N 0.95 0.50 -0.34 4.79 6.46 -1.95 0.15 115.31 125.87 1j0q h LEU 9 Ca -0.47 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.36 1j0q h LEU 9 Cb 1.19 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 41.00 1j0q h LEU 9 CO 0.63 0.25 -0.30 -0.08 -0.62 0.00 0.00 178.44 178.33 1j0q h GLU 10 N 0.53 -0.12 -0.69 1.25 4.57 -1.99 0.22 114.58 118.35 1j0q h GLU 10 Ca 0.41 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.61 1j0q h GLU 10 Cb 0.82 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.40 1j0q h GLU 10 CO -0.16 -0.08 0.45 1.49 -1.18 0.00 0.00 179.01 179.53 1j0q h GLU 11 N -0.12 0.87 -0.42 1.92 4.57 -1.38 -0.06 114.58 119.95 1j0q h GLU 11 Ca 0.06 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1j0q h GLU 11 Cb 0.27 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1j0q h GLU 11 CO -0.38 0.57 -0.02 0.82 -1.18 0.00 0.00 179.01 178.83 1j0q h ILE 12 N 0.89 1.26 -0.10 2.32 2.04 -0.23 0.06 117.51 123.75 1j0q h ILE 12 Ca 0.26 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1j0q h ILE 12 Cb -0.05 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1j0q h ILE 12 CO -0.08 0.36 0.05 1.56 0.00 0.00 0.00 178.15 180.04 1j0q h GLN 13 N 0.59 0.15 -0.89 2.37 1.08 -0.38 -2.42 115.11 115.61 1j0q h GLN 13 Ca 0.12 -0.02 0.23 0.00 -1.45 0.00 0.00 58.65 57.52 1j0q h GLN 13 Cb 0.51 -0.03 -0.16 0.00 -0.05 0.00 0.00 27.48 27.75 1j0q h GLN 13 CO 0.02 0.22 0.03 -0.22 -0.95 0.00 0.00 178.83 177.93 1j0q h LYS 14 N 0.05 0.06 -2.29 1.46 1.63 -0.35 -0.54 116.57 116.59 1j0q h LYS 14 Ca 0.04 -0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.46 1j0q h LYS 14 Cb 0.11 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 1j0q h LYS 14 CO -0.00 0.04 0.95 0.72 -3.45 0.00 0.00 179.45 177.71 1j0q n HIS 15 N -5.41 0.92 -2.30 1.91 8.25 -0.05 -3.27 115.22 115.26 1j0q n HIS 15 Ca 0.19 -2.03 0.04 0.00 -0.26 0.00 0.00 57.72 55.66 1j0q n HIS 15 Cb 0.63 -1.83 0.04 0.00 1.12 0.00 0.00 29.99 29.95 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 2.59 0.96 0.00 0.41 0.23 -0.21 -0.54 115.26 118.70 1j0q n ASN 16 Ca 0.54 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.36 1j0q n ASN 16 Cb 0.67 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.22 0.00 -2.71 0.53 2.85 -1.20 -4.96 115.26 109.98 1j0q n ASN 17 Ca 0.07 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.47 1j0q n ASN 17 Cb 1.03 0.00 0.07 0.00 1.24 0.00 0.00 39.78 42.12 1j0q n ASN 17 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1j0q n SER 18 N 0.00 -2.19 0.02 1.20 2.88 -1.26 -5.00 113.62 109.27 1j0q n SER 18 Ca 0.00 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 1j0q n SER 18 Cb 0.00 1.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.93 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 1.27 0.00 -3.49 -1.46 4.76 -1.26 -5.10 118.16 112.88 1j0q n LYS 19 Ca 0.05 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.33 1j0q n LYS 19 Cb 0.68 -0.09 -0.05 0.00 -1.84 0.00 0.00 35.03 33.73 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 -4.94 -0.63 -0.45 4.39 0.15 -1.26 -5.11 113.70 105.85 1j0q s SER 20 Ca 0.00 0.49 -0.17 0.00 0.70 0.00 0.00 55.95 56.97 1j0q s SER 20 Cb 0.00 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1j0q s SER 20 CO 0.00 -0.71 0.46 -0.89 1.20 0.00 0.00 173.24 173.30 1j0q s THR 21 N -1.97 5.08 0.20 6.45 2.01 -1.26 -4.45 115.64 121.69 1j0q s THR 21 Ca -0.07 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1j0q s THR 21 Cb -0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1j0q s THR 21 CO 0.03 -0.54 0.35 0.26 -0.69 0.00 0.00 174.62 174.03 1j0q s TRP 22 N 2.12 3.48 0.05 4.92 0.52 0.29 -1.46 118.94 128.87 1j0q s TRP 22 Ca 0.11 0.18 -0.14 0.00 0.02 0.00 0.00 56.10 56.27 1j0q s TRP 22 Cb -0.19 -1.73 0.02 0.00 -1.15 0.00 0.00 33.47 30.42 1j0q s TRP 22 CO 0.12 0.43 0.33 -0.51 0.02 0.00 0.00 176.95 177.33 1j0q s LEU 23 N -3.47 0.78 -0.19 2.99 1.02 0.26 0.04 118.68 120.10 1j0q s LEU 23 Ca 0.36 -0.19 -0.08 0.00 0.02 0.00 0.00 54.13 54.24 1j0q s LEU 23 Cb -0.11 1.45 -0.04 0.00 0.02 0.00 0.00 46.19 47.51 1j0q s LEU 23 CO 0.29 -0.65 0.08 -0.63 0.02 0.00 0.00 176.35 175.46 1j0q s ILE 24 N -2.71 4.88 -0.20 -0.59 1.01 -0.41 -0.71 121.20 122.47 1j0q s ILE 24 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1j0q s ILE 24 Cb -0.00 -3.21 0.04 0.00 0.01 0.00 0.00 42.46 39.30 1j0q s ILE 24 CO -0.04 0.45 -0.11 -0.76 0.00 0.00 0.00 174.94 174.47 1j0q s LEU 25 N 0.44 2.31 -0.94 2.97 1.02 -0.47 -0.44 118.68 123.58 1j0q s LEU 25 Ca 0.04 -0.89 -0.10 0.00 0.02 0.00 0.00 54.13 53.21 1j0q s LEU 25 Cb -0.12 -1.27 0.00 0.00 0.02 0.00 0.00 46.19 44.82 1j0q s LEU 25 CO 0.00 -0.13 0.68 0.00 0.02 0.00 0.00 176.35 176.92 1j0q n HIS 26 N 4.67 -2.12 0.00 0.29 1.44 -1.26 -1.86 115.22 116.38 1j0q n HIS 26 Ca -0.15 0.71 0.00 0.00 -2.01 0.00 0.00 57.72 56.26 1j0q n HIS 26 Cb 0.47 -3.22 0.00 0.00 0.12 0.00 0.00 29.99 27.36 1j0q n HIS 26 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1j0q n TYR 27 N -3.14 0.00 -2.04 -1.40 4.01 -1.26 -4.94 117.16 108.38 1j0q n TYR 27 Ca -0.17 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.22 1j0q n TYR 27 Cb 0.61 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.67 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 3.07 -0.08 -0.72 -0.14 -0.77 -0.34 119.74 120.75 1j0q s LYS 28 Ca 0.00 1.63 0.04 0.00 -1.36 0.00 0.00 55.97 56.28 1j0q s LYS 28 Cb 0.00 -1.96 -0.01 0.00 -1.68 0.00 0.00 37.83 34.17 1j0q s LYS 28 CO 0.00 -1.08 -0.20 0.08 -0.76 0.00 0.00 175.35 173.39 1j0q s VAL 29 N -1.85 2.51 -0.13 3.17 1.01 0.08 -1.36 120.40 123.83 1j0q s VAL 29 Ca 0.73 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1j0q s VAL 29 Cb -0.25 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1j0q s VAL 29 CO 0.33 0.56 -0.16 -0.31 0.00 0.00 0.00 175.10 175.52 1j0q s TYR 30 N -0.02 2.15 -0.11 5.22 1.51 0.11 -1.40 117.35 124.80 1j0q s TYR 30 Ca -0.06 -1.10 -0.01 0.00 -1.01 0.00 0.00 57.07 54.89 1j0q s TYR 30 Cb -0.15 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.13 1j0q s TYR 30 CO 0.05 -0.57 -0.07 0.34 -1.11 0.00 0.00 175.55 174.18 1j0q s ASP 31 N 1.15 4.54 0.00 2.29 -1.08 -0.34 -0.58 116.67 122.65 1j0q s ASP 31 Ca -0.02 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.87 1j0q s ASP 31 Cb -0.14 -1.48 0.00 0.00 -1.46 0.00 0.00 42.92 39.84 1j0q s ASP 31 CO -0.05 0.25 0.00 0.18 0.52 0.00 0.00 175.17 176.07 1j0q n LEU 32 N 2.99 0.00 0.00 -1.34 4.77 -0.53 -4.67 117.00 118.21 1j0q n LEU 32 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1j0q n LEU 32 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1j0q n LEU 32 CO 0.30 -0.30 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 1j0q n THR 33 N -1.90 0.00 -0.30 -5.08 -1.04 -1.26 -3.82 114.28 100.88 1j0q n THR 33 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1j0q n THR 33 Cb 0.00 0.00 0.28 0.00 -1.82 0.00 0.00 70.33 68.79 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 -1.97 -0.96 116.57 114.90 1j0q h LYS 34 Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1j0q h LYS 34 Cb 0.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1j0q h LYS 34 CO 0.00 0.29 -0.25 0.35 -2.27 0.00 0.00 179.45 177.57 1j0q h PHE 35 N 0.46 0.00 -1.00 1.91 3.57 -1.97 -1.66 116.94 118.24 1j0q h PHE 35 Ca 0.53 0.00 0.30 0.00 3.53 0.00 0.00 57.97 62.33 1j0q h PHE 35 Cb 0.94 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.53 1j0q h PHE 35 CO -0.13 0.25 0.58 -0.07 -2.23 0.00 0.00 178.31 176.71 1j0q h LEU 36 N 0.00 0.57 0.09 0.59 3.38 -1.48 0.53 115.31 118.98 1j0q h LEU 36 Ca -0.00 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j0q h LEU 36 Cb 0.59 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1j0q h LEU 36 CO 0.03 -0.06 -0.04 -0.08 0.09 0.00 0.00 178.44 178.38 1j0q h GLU 37 N 0.40 -0.11 -0.48 1.13 4.22 -1.44 -3.07 114.58 115.24 1j0q h GLU 37 Ca 0.71 0.01 0.02 0.00 0.08 0.00 0.00 59.36 60.18 1j0q h GLU 37 Cb 1.54 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 1j0q h GLU 37 CO -0.57 0.35 0.32 0.93 -2.18 0.00 0.00 179.01 177.86 1j0q h GLU 38 N -0.64 0.55 -6.32 1.92 5.08 -1.21 -3.45 114.58 110.50 1j0q h GLU 38 Ca -0.01 -0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.78 1j0q h GLU 38 Cb 0.52 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.66 1j0q h GLU 38 CO 0.02 0.36 1.26 -1.58 -1.00 0.00 0.00 179.01 178.08 1j0q s HIS 39 N -5.50 1.26 0.48 4.33 2.46 0.17 -4.89 115.29 113.59 1j0q s HIS 39 Ca -0.08 -0.36 0.27 0.00 0.47 0.00 0.00 55.06 55.36 1j0q s HIS 39 Cb 0.18 -4.21 1.33 0.00 -0.13 0.00 0.00 32.58 29.74 1j0q s HIS 39 CO 0.74 -5.43 1.81 -1.35 -2.47 0.00 0.00 174.74 168.04 1j0q h PRO 40 N 11.10 0.18 0.00 2.88 0.11 -1.89 0.21 132.00 144.59 1j0q h PRO 40 Ca -0.49 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1j0q h PRO 40 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1j0q h PRO 40 CO 0.94 0.12 -0.23 0.78 -0.21 0.00 0.00 178.00 179.40 1j0q h GLY 41 N 0.19 0.00 0.00 -0.55 0.00 -1.94 -3.50 103.07 97.27 1j0q h GLY 41 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1j0q h GLY 41 CO -0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.01 1j0q n GLY 42 N 0.19 -0.29 0.05 4.60 0.00 0.74 -4.57 105.19 105.91 1j0q n GLY 42 Ca 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.66 1.61 4.81 -1.82 -3.29 114.58 115.23 1j0q h GLU 43 Ca 0.00 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1j0q h GLU 43 Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 1j0q h GLU 43 CO 0.00 0.00 -0.39 -1.91 -0.73 0.00 0.00 179.01 175.98 1j0q n GLU 44 N -4.31 -0.29 -0.27 1.92 4.07 -1.26 -0.25 120.64 120.25 1j0q n GLU 44 Ca -0.03 1.24 0.26 0.00 -0.06 0.00 0.00 57.16 58.57 1j0q n GLU 44 Cb 0.13 -1.83 0.62 0.00 -0.06 0.00 0.00 31.44 30.29 1j0q n GLU 44 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1j0q h VAL 45 N 0.00 0.54 0.13 6.31 2.07 -1.81 0.34 116.25 123.83 1j0q h VAL 45 Ca 0.11 -0.07 -0.34 0.00 0.82 0.00 0.00 66.70 67.21 1j0q h VAL 45 Cb 0.27 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1j0q h VAL 45 CO -0.62 0.04 -1.81 0.25 0.02 0.00 0.00 177.57 175.45 1j0q h LEU 46 N 0.21 0.41 -0.84 2.57 5.85 -0.69 -3.35 115.31 119.49 1j0q h LEU 46 Ca 0.52 -0.90 0.11 0.00 0.84 0.00 0.00 57.88 58.45 1j0q h LEU 46 Cb 1.64 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.46 1j0q h LEU 46 CO -0.14 1.78 0.47 0.03 -0.34 0.00 0.00 178.44 180.25 1j0q h ARG 47 N -0.07 0.74 -0.74 1.25 3.08 0.33 0.35 114.38 119.32 1j0q h ARG 47 Ca -0.39 -0.04 0.21 0.00 0.07 0.00 0.00 59.98 59.83 1j0q h ARG 47 Cb 1.94 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.80 1j0q h ARG 47 CO 0.07 0.49 0.77 1.49 -1.07 0.00 0.00 179.97 181.73 1j0q h GLU 48 N 0.76 0.00 0.00 0.04 4.81 -1.10 -2.22 114.58 116.88 1j0q h GLU 48 Ca 0.42 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.58 1j0q h GLU 48 Cb 0.44 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1j0q h GLU 48 CO -0.27 0.00 -1.45 1.04 -0.73 0.00 0.00 179.01 177.59 1j0q n GLN 49 N -3.60 1.51 -1.51 1.92 1.13 0.13 -5.04 117.38 111.93 1j0q n GLN 49 Ca 0.15 -0.04 -0.37 0.00 -1.94 0.00 0.00 57.00 54.81 1j0q n GLN 49 Cb 1.03 -1.20 0.06 0.00 0.11 0.00 0.00 30.24 30.24 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 -2.04 -0.13 -3.41 -1.58 0.00 0.10 -2.34 120.51 111.11 1j0q n ALA 50 Ca -0.07 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 1j0q n ALA 50 Cb 0.49 -2.08 0.04 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.52 3.83 0.00 0.00 0.11 -4.75 105.19 105.14 1j0q n GLY 51 Ca 0.13 0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.01 0.12 -0.13 -0.02 0.00 -0.99 -4.04 107.32 99.25 1j0q s GLY 52 Ca 0.47 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 44.42 1j0q s GLY 52 CO 0.59 0.00 1.31 -0.35 0.00 0.00 0.00 173.10 174.65 1j0q s ASP 53 N -3.03 6.92 -0.17 1.64 -1.08 -1.26 -1.28 116.67 118.41 1j0q s ASP 53 Ca 0.14 1.80 0.14 0.00 -0.52 0.00 0.00 52.55 54.10 1j0q s ASP 53 Cb -0.05 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.25 1j0q s ASP 53 CO 0.08 -0.75 1.20 0.00 0.52 0.00 0.00 175.17 176.22 1j0q n ALA 54 N 6.41 3.22 0.31 3.66 0.00 0.41 -4.88 120.51 129.64 1j0q n ALA 54 Ca 0.14 -3.03 -0.17 0.00 0.00 0.00 0.00 53.44 50.38 1j0q n ALA 54 Cb 0.45 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.42 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 1.42 0.43 0.21 0.00 2.02 -1.90 0.29 112.91 115.38 1j0q h THR 55 Ca -0.02 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1j0q h THR 55 Cb 1.08 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1j0q h THR 55 CO 0.01 0.01 -0.30 -0.33 0.37 0.00 0.00 175.52 175.28 1j0q h GLU 56 N -0.81 -0.56 -0.52 6.66 5.08 -1.92 -0.95 114.58 121.56 1j0q h GLU 56 Ca -0.08 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1j0q h GLU 56 Cb 0.60 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.89 1j0q h GLU 56 CO 0.13 -0.37 -0.06 -0.97 -1.00 0.00 0.00 179.01 176.74 1j0q h ASN 57 N -0.58 -0.35 0.21 1.42 -0.73 -1.90 0.20 115.58 113.85 1j0q h ASN 57 Ca 0.01 0.14 0.01 0.00 1.87 0.00 0.00 56.30 58.33 1j0q h ASN 57 Cb 0.56 0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 1j0q h ASN 57 CO -0.12 -0.13 -0.26 0.15 -0.37 0.00 0.00 177.43 176.70 1j0q h PHE 58 N 0.06 -0.70 0.48 0.67 3.57 -0.47 -1.39 116.94 119.16 1j0q h PHE 58 Ca 0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1j0q h PHE 58 Cb 0.40 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1j0q h PHE 58 CO -0.38 -0.38 -0.23 0.93 -2.23 0.00 0.00 178.31 176.02 1j0q h GLU 59 N -0.53 -0.63 -0.82 1.11 4.39 -0.49 -3.08 114.58 114.54 1j0q h GLU 59 Ca 0.00 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.86 1j0q h GLU 59 Cb 0.51 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 29.18 1j0q h GLU 59 CO -0.09 -0.34 -0.37 -3.47 -1.16 0.00 0.00 179.01 173.58 1j0q n ASP 60 N -5.31 -0.63 0.00 1.42 2.03 0.62 -0.20 116.55 114.49 1j0q n ASP 60 Ca -0.11 1.44 0.07 0.00 0.52 0.00 0.00 54.79 56.70 1j0q n ASP 60 Cb 0.30 -0.29 0.34 0.00 -0.72 0.00 0.00 41.12 40.75 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 -5.16 0.00 -3.11 -0.67 8.25 -0.52 -4.87 115.22 109.14 1j0q n HIS 61 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1j0q n HIS 61 Cb 0.30 -0.31 0.04 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.13 0.12 3.67 -1.41 0.00 0.72 -4.91 105.19 103.25 1j0q n GLY 62 Ca 0.06 -0.16 -0.50 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.91 2.16 -1.06 1.61 8.25 -1.22 -4.92 115.22 116.13 1j0q n HIS 63 Ca 0.00 0.25 -0.29 0.00 -0.26 0.00 0.00 57.72 57.43 1j0q n HIS 63 Cb 0.53 -2.55 0.21 0.00 1.12 0.00 0.00 29.99 29.30 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 2.79 1.85 0.22 0.41 0.01 -1.26 -4.64 113.70 113.08 1j0q s SER 64 Ca 0.90 1.04 -0.16 0.00 1.31 0.00 0.00 55.95 59.04 1j0q s SER 64 Cb -0.80 -1.60 0.25 0.00 0.21 0.00 0.00 66.02 64.08 1j0q s SER 64 CO 0.51 -3.60 1.58 0.71 0.41 0.00 0.00 173.24 172.85 1j0q h THR 65 N -2.21 0.11 -0.19 1.44 1.35 -1.98 0.07 112.91 111.50 1j0q h THR 65 Ca -0.53 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.22 1j0q h THR 65 Cb 1.33 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1j0q h THR 65 CO 0.50 0.00 -0.35 0.44 -0.25 0.00 0.00 175.52 175.87 1j0q h ASP 66 N -0.05 0.41 -0.41 5.36 5.19 -1.98 0.33 116.42 125.26 1j0q h ASP 66 Ca 0.33 -0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1j0q h ASP 66 Cb 0.59 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1j0q h ASP 66 CO -0.84 0.73 0.04 0.00 -3.12 0.00 0.00 179.24 176.05 1j0q h ALA 67 N 1.30 0.55 0.03 3.45 0.00 -1.70 0.80 119.26 123.68 1j0q h ALA 67 Ca 0.04 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1j0q h ALA 67 Cb 0.77 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1j0q h ALA 67 CO 0.06 0.30 -0.38 0.00 0.00 0.00 0.00 179.25 179.23 1j0q h ARG 68 N 0.55 -0.53 -0.34 0.00 -0.00 0.45 0.23 114.38 114.74 1j0q h ARG 68 Ca 0.12 0.04 0.06 0.00 -0.50 0.00 0.00 59.98 59.70 1j0q h ARG 68 Cb 0.42 0.12 -0.08 0.00 0.00 0.00 0.00 29.97 30.43 1j0q h ARG 68 CO 0.01 -0.35 -0.44 0.93 0.00 0.00 0.00 179.97 180.12 1j0q h GLU 69 N -0.55 -0.36 -0.97 0.04 4.39 -0.32 -0.12 114.58 116.69 1j0q h GLU 69 Ca 0.05 0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.96 1j0q h GLU 69 Cb 0.62 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.25 1j0q h GLU 69 CO -0.28 -0.24 0.56 -0.07 -1.16 0.00 0.00 179.01 177.82 1j0q h LEU 70 N -0.38 0.70 -0.73 1.33 -0.00 -0.47 -1.44 115.31 114.32 1j0q h LEU 70 Ca 0.12 0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1j0q h LEU 70 Cb 0.60 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.21 1j0q h LEU 70 CO -0.53 0.23 0.38 0.77 -0.00 0.00 0.00 178.44 179.29 1j0q h SER 71 N 0.70 0.94 0.03 -0.43 4.64 0.13 0.14 113.55 119.70 1j0q h SER 71 Ca 0.56 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.79 1j0q h SER 71 Cb 0.89 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1j0q h SER 71 CO -0.40 0.78 -0.14 0.11 -0.87 0.00 0.00 176.83 176.31 1j0q h LYS 72 N 1.02 -0.25 -0.98 4.77 1.57 -0.75 -0.29 116.57 121.66 1j0q h LYS 72 Ca 0.26 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 59.26 1j0q h LYS 72 Cb 0.07 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.35 1j0q h LYS 72 CO -0.04 -0.16 0.62 1.15 -0.57 0.00 0.00 179.45 180.45 1j0q h THR 73 N -0.25 0.67 -0.00 -0.16 2.02 -0.92 -0.66 112.91 113.60 1j0q h THR 73 Ca 0.04 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1j0q h THR 73 Cb 0.30 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1j0q h THR 73 CO -0.12 0.10 -0.21 0.49 0.37 0.00 0.00 175.52 176.15 1j0q n PHE 74 N -4.64 0.00 -1.69 3.16 3.72 0.43 -4.89 117.46 113.54 1j0q n PHE 74 Ca 0.22 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.18 1j0q n PHE 74 Cb 0.67 -0.33 -0.04 0.00 -0.94 0.00 0.00 39.48 38.84 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 -1.37 0.04 0.00 4.37 5.41 -0.26 -1.20 119.36 126.34 1j0q n ILE 75 Ca 0.08 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1j0q n ILE 75 Cb 0.32 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 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 3.79 0.00 -0.21 1.39 -5.35 -0.49 -4.91 119.36 113.58 1j0q n ILE 76 Ca 0.17 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1j0q n ILE 76 Cb 0.32 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 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 1.23 -1.31 3.06 3.28 0.00 -1.22 -4.92 105.19 105.31 1j0q n GLY 77 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.88 0.40 0.03 1.61 2.02 -1.26 -0.74 118.70 118.87 1j0q s GLU 78 Ca 0.00 -0.40 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 1j0q s GLU 78 Cb 0.00 0.16 -0.08 0.00 0.10 0.00 0.00 34.13 34.31 1j0q s GLU 78 CO 0.00 -0.09 1.73 -1.17 0.02 0.00 0.00 175.26 175.75 1j0q s LEU 79 N -1.26 4.37 0.63 1.80 0.20 0.54 -0.96 118.68 124.01 1j0q s LEU 79 Ca -0.14 2.47 -0.18 0.00 0.69 0.00 0.00 54.13 56.97 1j0q s LEU 79 Cb -0.08 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.10 1j0q s LEU 79 CO 0.01 -0.94 0.97 1.57 -0.29 0.00 0.00 176.35 177.67 1j0q n HIS 80 N 6.45 0.82 0.08 5.38 -0.00 0.65 -4.87 115.22 123.73 1j0q n HIS 80 Ca 0.17 0.42 -0.15 0.00 -0.00 0.00 0.00 57.72 58.17 1j0q n HIS 80 Cb 0.41 -2.13 -0.07 0.00 -0.00 0.00 0.00 29.99 28.20 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 0.32 0.40 0.00 1.57 0.11 -1.91 -3.12 132.00 129.37 1j0q h PRO 81 Ca -0.49 -0.48 0.00 0.00 0.11 0.00 0.00 66.00 65.15 1j0q h PRO 81 Cb 1.36 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.62 1j0q h PRO 81 CO 0.50 1.15 0.00 -3.47 -0.21 0.00 0.00 178.00 175.97 1j0q n ASP 82 N -3.71 0.00 -0.08 -2.05 2.03 -1.26 -3.12 116.55 108.36 1j0q n ASP 82 Ca -0.08 0.44 -0.12 0.00 0.52 0.00 0.00 54.79 55.56 1j0q n ASP 82 Cb 0.88 -0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 40.76 1j0q n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1j0q h ASP 83 N 0.00 0.00 0.00 1.67 1.82 -1.92 -3.53 116.42 114.46 1j0q h ASP 83 Ca 0.00 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 1j0q h ASP 83 Cb 0.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1j0q h ASP 83 CO 0.00 1.05 0.00 -1.14 -1.61 0.00 0.00 179.24 177.54