#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 -0.12 0.00 0.31 -1.26 -5.04 118.33 112.23 1j0q n VAL 4 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1j0q n VAL 4 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1j0q n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1j0q n LYS 5 N 0.00 0.56 -0.89 5.55 5.02 -1.26 -5.14 118.16 122.00 1j0q n LYS 5 Ca 0.00 0.28 0.11 0.00 -2.02 0.00 0.00 58.31 56.68 1j0q n LYS 5 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 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 -4.35 -2.38 -3.72 2.13 4.01 -1.26 -5.04 117.16 106.54 1j0q n TYR 6 Ca -0.37 1.32 -0.13 0.00 -0.16 0.00 0.00 57.90 58.56 1j0q n TYR 6 Cb 0.72 -2.17 -0.13 0.00 -0.31 0.00 0.00 39.34 37.44 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 -3.75 -0.31 0.26 -0.72 1.51 0.39 -4.83 117.35 109.91 1j0q s TYR 7 Ca 0.00 0.76 -0.13 0.00 -1.01 0.00 0.00 57.07 56.69 1j0q s TYR 7 Cb 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 41.96 41.77 1j0q s TYR 7 CO 0.00 -0.24 0.64 0.95 -1.11 0.00 0.00 175.55 175.78 1j0q s THR 8 N 1.47 4.80 0.32 -0.71 -4.23 -1.26 -0.22 115.64 115.81 1j0q s THR 8 Ca -0.07 0.73 0.10 0.00 -1.18 0.00 0.00 61.69 61.27 1j0q s THR 8 Cb -0.11 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.42 1j0q s THR 8 CO -0.08 -0.09 1.68 0.25 -0.54 0.00 0.00 174.62 175.84 1j0q h LEU 9 N 2.52 0.44 -0.58 4.79 6.46 -1.96 0.16 115.31 127.14 1j0q h LEU 9 Ca -0.47 0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.52 1j0q h LEU 9 Cb 1.17 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 41.16 1j0q h LEU 9 CO 0.67 -0.08 -0.45 -0.08 -0.62 0.00 0.00 178.44 177.88 1j0q h GLU 10 N 0.36 -0.12 0.06 1.25 4.57 -2.00 0.16 114.58 118.87 1j0q h GLU 10 Ca 0.67 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.86 1j0q h GLU 10 Cb 1.43 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 1j0q h GLU 10 CO -0.58 -0.08 -0.03 0.93 -1.18 0.00 0.00 179.01 178.06 1j0q h GLU 11 N -0.13 -0.08 -0.50 1.92 4.39 -1.41 -2.82 114.58 115.94 1j0q h GLU 11 Ca 0.10 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1j0q h GLU 11 Cb 0.38 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1j0q h GLU 11 CO -0.62 0.04 0.33 0.82 -1.16 0.00 0.00 179.01 178.42 1j0q h ILE 12 N -0.19 1.13 -0.33 3.13 2.04 -0.15 -0.77 117.51 122.37 1j0q h ILE 12 Ca -0.01 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1j0q h ILE 12 Cb 0.16 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1j0q h ILE 12 CO 0.01 0.13 0.20 1.56 0.00 0.00 0.00 178.15 180.05 1j0q h GLN 13 N 0.67 0.40 -0.66 2.37 4.20 -0.76 -2.49 115.11 118.84 1j0q h GLN 13 Ca 0.18 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.00 1j0q h GLN 13 Cb -0.07 -0.09 -0.10 0.00 0.30 0.00 0.00 27.48 27.53 1j0q h GLN 13 CO -0.04 0.26 0.15 -0.22 -0.67 0.00 0.00 178.83 178.31 1j0q h LYS 14 N 0.41 0.26 -4.22 1.46 1.63 -0.94 -3.18 116.57 111.98 1j0q h LYS 14 Ca 0.13 -0.02 -0.69 0.00 -0.85 0.00 0.00 60.65 59.23 1j0q h LYS 14 Cb -0.01 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1j0q h LYS 14 CO -0.05 0.17 2.83 0.72 -3.45 0.00 0.00 179.45 179.67 1j0q n HIS 15 N -5.14 3.08 -2.30 1.91 8.25 -0.42 -4.11 115.22 116.49 1j0q n HIS 15 Ca 0.11 -2.61 -0.03 0.00 -0.26 0.00 0.00 57.72 54.93 1j0q n HIS 15 Cb 0.38 -2.32 -0.01 0.00 1.12 0.00 0.00 29.99 29.17 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 6.70 -0.35 -2.94 0.41 0.23 -0.96 -0.69 115.26 117.67 1j0q n ASN 16 Ca 0.51 -2.04 -0.14 0.00 -0.53 0.00 0.00 54.58 52.39 1j0q n ASN 16 Cb 0.40 0.14 0.02 0.00 -2.08 0.00 0.00 39.78 38.26 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 -0.16 -1.28 0.00 0.53 5.15 -1.19 -4.94 115.26 113.37 1j0q n ASN 17 Ca -0.15 -3.22 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 1j0q n ASN 17 Cb 0.85 0.79 0.00 0.00 -0.53 0.00 0.00 39.78 40.90 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 0.96 0.00 0.00 1.20 2.88 -1.26 -4.57 113.62 112.83 1j0q n SER 18 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1j0q n SER 18 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -4.78 118.16 115.42 1j0q n LYS 19 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1j0q n LYS 19 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1j0q n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1j0q n SER 20 N -3.02 0.00 -3.97 4.39 2.88 -1.26 -5.08 113.62 107.55 1j0q n SER 20 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1j0q n SER 20 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1j0q n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1j0q s THR 21 N -1.81 1.97 0.23 2.46 2.01 -1.26 -2.26 115.64 116.98 1j0q s THR 21 Ca 0.00 -2.06 -0.01 0.00 0.31 0.00 0.00 61.69 59.93 1j0q s THR 21 Cb 0.00 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1j0q s THR 21 CO 0.00 -0.54 0.42 0.26 -0.69 0.00 0.00 174.62 174.07 1j0q s TRP 22 N 1.07 3.48 0.13 4.92 0.52 0.14 -1.27 118.94 127.94 1j0q s TRP 22 Ca 0.08 0.36 -0.09 0.00 0.02 0.00 0.00 56.10 56.47 1j0q s TRP 22 Cb -0.19 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.26 1j0q s TRP 22 CO -0.11 0.33 0.24 -0.48 0.02 0.00 0.00 176.95 176.95 1j0q s LEU 23 N -3.49 1.17 -0.17 2.99 0.05 0.43 -0.20 118.68 119.46 1j0q s LEU 23 Ca 0.39 -0.78 -0.04 0.00 0.05 0.00 0.00 54.13 53.75 1j0q s LEU 23 Cb -0.11 1.11 -0.03 0.00 -2.05 0.00 0.00 46.19 45.12 1j0q s LEU 23 CO 0.30 -0.82 -0.02 -0.63 -0.55 0.00 0.00 176.35 174.63 1j0q s ILE 24 N -3.92 3.96 -0.19 1.48 1.01 -0.43 -0.79 121.20 122.31 1j0q s ILE 24 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1j0q s ILE 24 Cb 0.04 -2.76 0.05 0.00 0.01 0.00 0.00 42.46 39.80 1j0q s ILE 24 CO -0.05 0.47 -0.07 -0.76 0.00 0.00 0.00 174.94 174.53 1j0q s LEU 25 N 0.61 2.03 -1.45 2.97 1.02 -0.44 -0.47 118.68 122.96 1j0q s LEU 25 Ca -0.01 -0.86 -0.07 0.00 0.02 0.00 0.00 54.13 53.20 1j0q s LEU 25 Cb -0.14 -1.06 0.05 0.00 0.02 0.00 0.00 46.19 45.05 1j0q s LEU 25 CO 0.02 -0.19 0.77 1.41 0.02 0.00 0.00 176.35 178.39 1j0q n HIS 26 N 4.77 -2.01 0.00 0.29 8.25 -1.26 -1.18 115.22 124.08 1j0q n HIS 26 Ca -0.13 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 1j0q n HIS 26 Cb 0.46 -4.00 0.00 0.00 1.12 0.00 0.00 29.99 27.58 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 -4.47 0.00 -2.86 4.41 4.01 -1.26 -4.98 117.16 112.01 1j0q n TYR 27 Ca -0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.20 1j0q n TYR 27 Cb 0.60 -0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 39.27 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 4.54 -0.14 -0.72 -0.14 -0.33 -0.54 119.74 122.41 1j0q s LYS 28 Ca 0.00 1.21 -0.15 0.00 -1.36 0.00 0.00 55.97 55.67 1j0q s LYS 28 Cb 0.00 -3.41 -0.05 0.00 -1.68 0.00 0.00 37.83 32.69 1j0q s LYS 28 CO 0.00 0.12 0.36 0.08 -0.76 0.00 0.00 175.35 175.15 1j0q s VAL 29 N 0.46 5.26 -0.22 3.17 1.01 -0.23 -1.32 120.40 128.53 1j0q s VAL 29 Ca 0.44 0.69 -0.01 0.00 0.00 0.00 0.00 61.98 63.10 1j0q s VAL 29 Cb -0.21 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.54 1j0q s VAL 29 CO 0.25 0.38 -0.01 -0.31 0.00 0.00 0.00 175.10 175.40 1j0q s TYR 30 N 0.45 1.76 0.11 5.22 2.02 0.03 -2.06 117.35 124.88 1j0q s TYR 30 Ca 0.20 -1.34 -0.25 0.00 -0.37 0.00 0.00 57.07 55.31 1j0q s TYR 30 Cb -0.14 -1.32 -0.07 0.00 -0.40 0.00 0.00 41.96 40.03 1j0q s TYR 30 CO 0.06 -0.70 0.78 0.34 -1.57 0.00 0.00 175.55 174.46 1j0q s ASP 31 N 1.61 7.31 -0.07 2.29 -1.08 -1.23 -0.43 116.67 125.08 1j0q s ASP 31 Ca -0.04 1.56 -0.03 0.00 -0.52 0.00 0.00 52.55 53.53 1j0q s ASP 31 Cb -0.18 -2.49 -0.03 0.00 -1.46 0.00 0.00 42.92 38.76 1j0q s ASP 31 CO -0.07 0.11 -0.08 0.18 0.52 0.00 0.00 175.17 175.83 1j0q n LEU 32 N 2.17 0.87 0.00 -1.34 4.77 -0.39 -4.82 117.00 118.26 1j0q n LEU 32 Ca -0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1j0q n LEU 32 Cb 0.49 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1j0q n LEU 32 CO 0.47 0.22 0.00 0.41 -1.33 0.00 0.00 177.39 177.15 1j0q n THR 33 N -3.22 0.00 -0.16 -5.08 -1.04 -1.25 -0.70 114.28 102.84 1j0q n THR 33 Ca -0.13 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.78 1j0q n THR 33 Cb 0.60 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.15 1j0q n THR 33 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1j0q h LYS 34 N 0.00 0.96 0.00 -2.82 1.57 -1.96 -3.29 116.57 111.04 1j0q h LYS 34 Ca 0.00 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1j0q h LYS 34 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1j0q h LYS 34 CO 0.00 1.04 -0.14 0.35 -0.57 0.00 0.00 179.45 180.13 1j0q h PHE 35 N 0.85 0.00 -0.98 -1.35 3.04 -1.31 0.09 116.94 117.28 1j0q h PHE 35 Ca 0.13 0.00 0.30 0.00 3.98 0.00 0.00 57.97 62.37 1j0q h PHE 35 Cb 0.70 0.00 -0.18 0.00 2.56 0.00 0.00 35.95 39.03 1j0q h PHE 35 CO 0.04 0.14 0.12 1.28 -2.02 0.00 0.00 178.31 177.87 1j0q n LEU 36 N -4.05 -0.03 -0.02 0.59 4.77 -1.24 0.14 117.00 117.16 1j0q n LEU 36 Ca -0.02 1.65 -0.13 0.00 -0.03 0.00 0.00 56.01 57.48 1j0q n LEU 36 Cb 0.22 -0.64 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1j0q n LEU 36 CO 0.33 -1.71 0.67 -0.08 -1.33 0.00 0.00 177.39 175.28 1j0q h GLU 37 N 0.00 0.11 -0.77 3.23 4.22 -1.18 -3.22 114.58 116.96 1j0q h GLU 37 Ca 0.64 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 60.04 1j0q h GLU 37 Cb 1.41 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1j0q h GLU 37 CO -0.89 0.48 0.51 0.93 -2.18 0.00 0.00 179.01 177.86 1j0q h GLU 38 N -0.28 1.00 -5.93 1.92 5.08 -1.20 -3.45 114.58 111.72 1j0q h GLU 38 Ca 0.01 -0.06 -0.62 0.00 -1.00 0.00 0.00 59.36 57.70 1j0q h GLU 38 Cb 0.45 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1j0q h GLU 38 CO 0.01 0.66 1.48 1.58 -1.00 0.00 0.00 179.01 181.74 1j0q n HIS 39 N -4.56 1.71 -0.11 4.33 -0.00 0.12 -4.86 115.22 111.85 1j0q n HIS 39 Ca 0.08 0.10 0.15 0.00 0.46 0.00 0.00 57.72 58.50 1j0q n HIS 39 Cb 0.02 -2.62 0.53 0.00 -0.12 0.00 0.00 29.99 27.81 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 14.13 0.34 0.00 1.57 0.11 -1.90 0.17 132.00 146.42 1j0q h PRO 40 Ca -0.32 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1j0q h PRO 40 Cb 1.28 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j0q h PRO 40 CO 1.02 0.22 -0.01 0.78 -0.21 0.00 0.00 178.00 179.80 1j0q h GLY 41 N 0.35 0.00 0.00 -0.55 0.00 -1.97 -3.49 103.07 97.42 1j0q h GLY 41 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1j0q h GLY 41 CO -0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.06 1j0q n GLY 42 N -0.83 0.48 0.07 4.60 0.00 0.58 -4.64 105.19 105.45 1j0q n GLY 42 Ca -0.02 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.03 -0.80 1.61 4.22 -1.81 -3.32 114.58 114.45 1j0q h GLU 43 Ca 0.00 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.56 1j0q h GLU 43 Cb 0.00 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1j0q h GLU 43 CO 0.00 0.62 -0.34 0.39 -2.18 0.00 0.00 179.01 177.50 1j0q n GLU 44 N -4.71 -0.21 0.14 1.92 -0.58 -1.26 -0.08 120.64 115.86 1j0q n GLU 44 Ca -0.07 1.23 0.01 0.00 -0.42 0.00 0.00 57.16 57.91 1j0q n GLU 44 Cb 0.32 -1.82 0.33 0.00 -0.57 0.00 0.00 31.44 29.70 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1j0q h VAL 45 N 0.00 1.25 -0.05 2.62 -1.51 -1.83 0.35 116.25 117.08 1j0q h VAL 45 Ca 0.26 -1.18 -0.03 0.00 -1.23 0.00 0.00 66.70 64.52 1j0q h VAL 45 Cb 0.46 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1j0q h VAL 45 CO -0.79 0.35 -0.07 -0.07 -1.23 0.00 0.00 177.57 175.76 1j0q h LEU 46 N 0.13 0.16 -0.48 4.19 3.38 -0.58 -3.30 115.31 118.81 1j0q h LEU 46 Ca 0.02 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1j0q h LEU 46 Cb 0.61 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1j0q h LEU 46 CO 0.04 0.64 0.24 -0.09 0.09 0.00 0.00 178.44 179.36 1j0q h ARG 47 N -0.32 0.45 -1.73 1.13 2.43 0.26 0.52 114.38 117.12 1j0q h ARG 47 Ca 0.01 -0.03 0.50 0.00 -0.81 0.00 0.00 59.98 59.65 1j0q h ARG 47 Cb 0.60 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.98 1j0q h ARG 47 CO 0.02 0.30 1.24 1.49 -1.51 0.00 0.00 179.97 181.51 1j0q h GLU 48 N 0.47 0.00 0.00 0.20 4.81 -1.08 -2.03 114.58 116.95 1j0q h GLU 48 Ca 0.21 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1j0q h GLU 48 Cb 0.13 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1j0q h GLU 48 CO -0.15 0.00 -1.58 1.04 -0.73 0.00 0.00 179.01 177.58 1j0q n GLN 49 N -4.04 1.61 -1.26 1.92 1.13 0.38 -5.06 117.38 112.05 1j0q n GLN 49 Ca 0.39 -0.04 -0.35 0.00 -1.94 0.00 0.00 57.00 55.06 1j0q n GLN 49 Cb 1.78 -1.25 0.11 0.00 0.11 0.00 0.00 30.24 30.99 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 -2.16 0.11 -3.70 -1.58 0.00 0.15 -2.59 120.51 110.74 1j0q n ALA 50 Ca -0.10 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.86 1j0q n ALA 50 Cb 0.60 -2.23 0.04 0.00 0.00 0.00 0.00 19.45 17.86 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 0.74 -0.35 3.63 0.00 0.00 0.72 -4.80 105.19 105.13 1j0q n GLY 51 Ca 0.14 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.10 -0.38 0.07 -0.02 0.00 -1.07 -4.15 107.32 97.67 1j0q s GLY 52 Ca 0.16 0.78 -0.30 0.00 0.00 0.00 0.00 44.72 45.36 1j0q s GLY 52 CO 0.80 0.18 1.09 -0.35 0.00 0.00 0.00 173.10 174.82 1j0q s ASP 53 N -2.84 7.24 -0.15 1.64 -1.08 -1.26 -1.31 116.67 118.91 1j0q s ASP 53 Ca 0.13 1.90 0.15 0.00 -0.52 0.00 0.00 52.55 54.21 1j0q s ASP 53 Cb 0.03 -2.58 0.37 0.00 -1.46 0.00 0.00 42.92 39.28 1j0q s ASP 53 CO -0.03 -0.32 1.19 0.00 0.52 0.00 0.00 175.17 176.52 1j0q n ALA 54 N 3.53 3.08 0.25 3.66 0.00 0.38 -4.86 120.51 126.55 1j0q n ALA 54 Ca 0.06 -2.88 -0.16 0.00 0.00 0.00 0.00 53.44 50.46 1j0q n ALA 54 Cb 0.48 -0.43 -0.08 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 2.25 0.35 0.14 0.00 2.02 -1.93 0.22 112.91 115.96 1j0q h THR 55 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1j0q h THR 55 Cb 1.19 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1j0q h THR 55 CO 0.02 0.00 -0.07 -0.33 0.37 0.00 0.00 175.52 175.51 1j0q h GLU 56 N -0.73 -0.18 -0.70 6.66 5.08 -1.94 -2.56 114.58 120.22 1j0q h GLU 56 Ca -0.04 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1j0q h GLU 56 Cb 0.62 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 1j0q h GLU 56 CO 0.01 0.06 0.25 -0.97 -1.00 0.00 0.00 179.01 177.36 1j0q h ASN 57 N -0.41 0.21 0.31 1.42 -0.73 -1.91 0.31 115.58 114.77 1j0q h ASN 57 Ca -0.02 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1j0q h ASN 57 Cb 0.33 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.99 1j0q h ASN 57 CO 0.03 0.09 -0.39 0.15 -0.37 0.00 0.00 177.43 176.94 1j0q h PHE 58 N 0.40 -1.08 0.00 0.67 3.57 -0.83 -1.53 116.94 118.13 1j0q h PHE 58 Ca 0.38 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.83 1j0q h PHE 58 Cb 0.55 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1j0q h PHE 58 CO -0.19 -0.53 -0.27 0.93 -2.23 0.00 0.00 178.31 176.02 1j0q h GLU 59 N -0.75 0.00 -0.34 1.11 4.39 -0.89 0.18 114.58 118.28 1j0q h GLU 59 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1j0q h GLU 59 Cb 0.70 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1j0q h GLU 59 CO -0.12 0.27 0.19 0.22 -1.16 0.00 0.00 179.01 178.42 1j0q h ASP 60 N 0.00 0.41 -0.50 1.42 3.58 -0.18 -0.68 116.42 120.47 1j0q h ASP 60 Ca -0.00 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 1j0q h ASP 60 Cb 0.56 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1j0q h ASP 60 CO 0.04 0.36 0.00 0.45 -2.88 0.00 0.00 179.24 177.21 1j0q h HIS 61 N 0.43 1.00 0.00 0.28 3.86 -0.89 -3.49 115.15 116.34 1j0q h HIS 61 Ca 0.12 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1j0q h HIS 61 Cb 0.03 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1j0q h HIS 61 CO -0.03 0.90 0.00 0.41 0.86 0.00 0.00 177.93 180.07 1j0q n GLY 62 N -0.53 1.00 4.46 2.45 0.00 0.59 -4.97 105.19 108.19 1j0q n GLY 62 Ca 0.03 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 1j0q n GLY 62 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1j0q n HIS 63 N 0.45 -1.27 0.00 1.61 1.44 -1.26 -4.35 115.22 111.84 1j0q n HIS 63 Ca 0.00 0.70 0.00 0.00 -2.01 0.00 0.00 57.72 56.41 1j0q n HIS 63 Cb 0.00 -2.18 0.00 0.00 0.12 0.00 0.00 29.99 27.93 1j0q n HIS 63 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1j0q n SER 64 N -2.56 0.00 -0.31 4.39 3.41 -1.26 -3.58 113.62 113.71 1j0q n SER 64 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.74 1j0q n SER 64 Cb 0.49 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.62 1j0q n SER 64 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1j0q n THR 65 N -0.29 -0.36 -0.02 6.66 -2.24 -1.26 -0.14 114.28 116.62 1j0q n THR 65 Ca 0.00 1.95 -0.13 0.00 -2.27 0.00 0.00 64.05 63.60 1j0q n THR 65 Cb 0.00 -2.75 -0.10 0.00 -2.10 0.00 0.00 70.33 65.38 1j0q n THR 65 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1j0q h ASP 66 N 0.00 0.05 -0.06 3.42 5.19 -1.99 0.18 116.42 123.21 1j0q h ASP 66 Ca 0.46 -0.48 -0.11 0.00 -0.62 0.00 0.00 57.03 56.28 1j0q h ASP 66 Cb 0.81 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 1j0q h ASP 66 CO -0.86 0.52 -0.31 0.00 -3.12 0.00 0.00 179.24 175.46 1j0q h ALA 67 N 0.53 0.98 0.23 3.45 0.00 -1.23 -1.42 119.26 121.80 1j0q h ALA 67 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1j0q h ALA 67 Cb 0.50 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1j0q h ALA 67 CO 0.00 0.60 -0.40 0.00 0.00 0.00 0.00 179.25 179.46 1j0q h ARG 68 N 0.46 -0.68 -0.48 0.00 3.08 -0.43 0.13 114.38 116.46 1j0q h ARG 68 Ca 0.06 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.25 1j0q h ARG 68 Cb 0.77 0.15 -0.10 0.00 0.08 0.00 0.00 29.97 30.88 1j0q h ARG 68 CO 0.06 -0.45 -0.27 1.49 -1.07 0.00 0.00 179.97 179.72 1j0q h GLU 69 N -0.71 -0.16 -0.74 0.04 4.57 -0.38 0.22 114.58 117.42 1j0q h GLU 69 Ca 0.00 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.36 1j0q h GLU 69 Cb 0.69 0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 29.20 1j0q h GLU 69 CO -0.17 -0.11 0.13 1.25 -1.18 0.00 0.00 179.01 178.93 1j0q h LEU 70 N -0.17 -0.09 0.00 1.64 7.12 -0.83 -1.86 115.31 121.11 1j0q h LEU 70 Ca 0.21 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.39 1j0q h LEU 70 Cb 0.51 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1j0q h LEU 70 CO -0.58 -0.09 -0.15 0.77 -0.13 0.00 0.00 178.44 178.27 1j0q h SER 71 N 0.21 0.00 0.08 1.25 4.64 0.21 -0.05 113.55 119.89 1j0q h SER 71 Ca 0.42 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1j0q h SER 71 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1j0q h SER 71 CO -0.56 0.02 -0.07 0.11 -0.87 0.00 0.00 176.83 175.47 1j0q h LYS 72 N 0.00 -0.15 -0.51 4.77 1.57 0.05 -1.27 116.57 121.03 1j0q h LYS 72 Ca 0.00 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1j0q h LYS 72 Cb 0.75 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1j0q h LYS 72 CO 0.00 -0.10 0.36 1.15 -0.57 0.00 0.00 179.45 180.28 1j0q h THR 73 N -0.16 0.83 -0.33 -0.16 2.02 -0.90 0.17 112.91 114.38 1j0q h THR 73 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1j0q h THR 73 Cb 0.15 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1j0q h THR 73 CO -0.01 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.40 1j0q n PHE 74 N -4.44 0.44 -1.78 3.16 3.72 -0.13 -4.94 117.46 113.50 1j0q n PHE 74 Ca 0.09 -0.22 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 1j0q n PHE 74 Cb 0.45 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 1j0q n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1j0q s ILE 75 N -1.56 2.46 0.00 4.37 1.01 0.04 -3.47 121.20 124.06 1j0q s ILE 75 Ca 0.24 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1j0q s ILE 75 Cb 0.13 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1j0q s ILE 75 CO 0.17 0.01 0.02 2.30 0.00 0.00 0.00 174.94 177.43 1j0q n ILE 76 N 4.39 0.00 -1.64 2.92 -5.35 -0.88 -5.00 119.36 113.79 1j0q n ILE 76 Ca 0.16 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1j0q n ILE 76 Cb 0.38 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 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 0.73 -1.80 3.12 3.28 0.00 -1.24 -4.86 105.19 104.41 1j0q n GLY 77 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.62 0.64 0.27 1.61 2.02 -1.26 -1.07 118.70 119.28 1j0q s GLU 78 Ca 0.00 -0.99 -0.30 0.00 0.02 0.00 0.00 54.97 53.70 1j0q s GLU 78 Cb 0.00 0.24 -0.13 0.00 0.10 0.00 0.00 34.13 34.34 1j0q s GLU 78 CO 0.00 -0.15 1.42 -0.11 0.02 0.00 0.00 175.26 176.44 1j0q n LEU 79 N 0.36 3.41 -4.53 1.80 7.94 0.30 -0.46 117.00 125.82 1j0q n LEU 79 Ca -0.16 1.16 -0.29 0.00 -1.11 0.00 0.00 56.01 55.60 1j0q n LEU 79 Cb 0.60 -1.47 0.23 0.00 0.53 0.00 0.00 43.42 43.32 1j0q n LEU 79 CO 0.25 -0.37 0.55 -2.28 -1.11 0.00 0.00 177.39 174.43 1j0q s HIS 80 N -0.24 1.43 0.09 1.96 5.04 0.69 -4.75 115.29 119.50 1j0q s HIS 80 Ca 0.65 1.30 -0.07 0.00 -1.54 0.00 0.00 55.06 55.40 1j0q s HIS 80 Cb -0.61 -3.15 -0.22 0.00 0.04 0.00 0.00 32.58 28.65 1j0q s HIS 80 CO 0.52 -3.64 1.19 -1.35 -2.34 0.00 0.00 174.74 169.11 1j0q h PRO 81 N -2.46 0.40 -0.00 2.88 0.11 -1.93 -3.25 132.00 127.75 1j0q h PRO 81 Ca -0.58 -0.55 0.00 0.00 0.11 0.00 0.00 66.00 64.98 1j0q h PRO 81 Cb 1.32 0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.61 1j0q h PRO 81 CO 0.49 1.22 0.10 0.22 -0.21 0.00 0.00 178.00 179.82 1j0q h ASP 82 N 0.17 0.00 0.09 -2.05 3.58 -1.99 0.12 116.42 116.34 1j0q h ASP 82 Ca -0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1j0q h ASP 82 Cb 1.83 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.88 1j0q h ASP 82 CO 0.20 0.00 -0.12 0.47 -2.88 0.00 0.00 179.24 176.91 1j0q n ASP 83 N -3.04 1.35 0.00 2.28 8.00 -1.23 -5.15 116.55 118.76 1j0q n ASP 83 Ca -0.03 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1j0q n ASP 83 Cb 0.16 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35