#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 1.62 0.00 0.00 -7.23 -1.26 -5.03 120.40 108.50 1j0q s VAL 4 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1j0q s VAL 4 Cb 0.00 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1j0q s VAL 4 CO 0.00 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 175.96 1j0q n LYS 5 N -4.91 0.00 -1.50 4.82 3.00 -1.26 -5.13 118.16 113.18 1j0q n LYS 5 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1j0q n LYS 5 Cb 0.59 -0.57 0.00 0.00 0.00 0.00 0.00 35.03 35.04 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 -2.74 -4.10 -3.75 5.64 4.01 -1.26 -4.98 117.16 109.98 1j0q n TYR 6 Ca 0.00 2.22 -0.13 0.00 -0.16 0.00 0.00 57.90 59.82 1j0q n TYR 6 Cb 0.42 -3.45 -0.14 0.00 -0.31 0.00 0.00 39.34 35.86 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 -5.09 -0.20 0.34 -0.72 1.51 0.30 -4.79 117.35 108.70 1j0q s TYR 7 Ca 0.00 0.55 -0.17 0.00 -1.01 0.00 0.00 57.07 56.44 1j0q s TYR 7 Cb 0.00 -0.04 -0.09 0.00 -0.11 0.00 0.00 41.96 41.72 1j0q s TYR 7 CO 0.00 -0.18 0.80 0.95 -1.11 0.00 0.00 175.55 176.01 1j0q s THR 8 N 1.10 4.58 0.27 -0.71 -4.23 -1.26 -0.76 115.64 114.62 1j0q s THR 8 Ca -0.08 1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 61.56 1j0q s THR 8 Cb -0.10 -3.64 0.26 0.00 1.34 0.00 0.00 72.50 70.35 1j0q s THR 8 CO -0.06 -0.18 1.82 0.25 -0.54 0.00 0.00 174.62 175.91 1j0q h LEU 9 N 2.28 0.81 -0.71 4.79 7.12 -1.94 0.18 115.31 127.84 1j0q h LEU 9 Ca -0.48 0.05 0.08 0.00 0.13 0.00 0.00 57.88 57.66 1j0q h LEU 9 Cb 1.18 -0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 41.09 1j0q h LEU 9 CO 0.64 0.44 -0.52 -0.08 -0.13 0.00 0.00 178.44 178.79 1j0q h GLU 10 N 0.90 -0.17 -0.22 1.25 4.81 -1.99 0.22 114.58 119.37 1j0q h GLU 10 Ca 0.46 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.71 1j0q h GLU 10 Cb 0.46 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1j0q h GLU 10 CO -0.27 -0.11 0.12 0.93 -0.73 0.00 0.00 179.01 178.95 1j0q h GLU 11 N -0.18 0.25 -0.15 1.92 4.39 -1.36 -0.90 114.58 118.56 1j0q h GLU 11 Ca 0.16 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1j0q h GLU 11 Cb 0.52 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1j0q h GLU 11 CO -0.78 0.17 0.09 0.82 -1.16 0.00 0.00 179.01 178.15 1j0q h ILE 12 N 0.26 1.07 -0.23 3.13 2.04 0.31 0.19 117.51 124.28 1j0q h ILE 12 Ca 0.09 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1j0q h ILE 12 Cb -0.00 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1j0q h ILE 12 CO -0.04 0.07 -0.05 1.56 0.00 0.00 0.00 178.15 179.69 1j0q h GLN 13 N 0.16 0.01 -1.00 2.37 4.20 -0.50 -1.71 115.11 118.64 1j0q h GLN 13 Ca 0.05 -0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.92 1j0q h GLN 13 Cb 0.03 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.71 1j0q h GLN 13 CO -0.01 0.01 0.62 -0.22 -0.67 0.00 0.00 178.83 178.56 1j0q h LYS 14 N 0.01 0.85 -4.31 1.46 3.11 -0.43 -3.14 116.57 114.11 1j0q h LYS 14 Ca 0.11 -0.05 -0.68 0.00 -2.81 0.00 0.00 60.65 57.22 1j0q h LYS 14 Cb 0.17 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1j0q h LYS 14 CO -0.23 0.56 2.79 0.72 -2.81 0.00 0.00 179.45 180.48 1j0q n HIS 15 N -4.68 3.18 -2.12 1.91 8.25 0.59 -3.67 115.22 118.69 1j0q n HIS 15 Ca 0.21 -2.63 0.00 0.00 -0.26 0.00 0.00 57.72 55.05 1j0q n HIS 15 Cb 0.46 -2.35 -0.00 0.00 1.12 0.00 0.00 29.99 29.22 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 6.88 0.16 -4.02 0.41 0.23 -1.19 -0.51 115.26 117.23 1j0q n ASN 16 Ca 0.51 -1.84 -0.19 0.00 -0.53 0.00 0.00 54.58 52.53 1j0q n ASN 16 Cb 0.40 -0.16 -0.00 0.00 -2.08 0.00 0.00 39.78 37.94 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 0.12 2.27 -3.47 0.53 2.85 -1.24 -4.92 115.26 111.39 1j0q n ASN 17 Ca -0.01 -2.36 -0.40 0.00 -0.11 0.00 0.00 54.58 51.71 1j0q n ASN 17 Cb 0.77 -0.02 -0.01 0.00 1.24 0.00 0.00 39.78 41.76 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 -1.87 7.75 0.18 1.20 2.88 -1.26 -3.36 113.62 119.14 1j0q n SER 18 Ca -0.02 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 1j0q n SER 18 Cb 0.45 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 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 2.93 0.00 -3.63 -1.46 4.76 -1.26 -5.11 118.16 114.39 1j0q n LYS 19 Ca 0.66 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 56.01 1j0q n LYS 19 Cb 0.26 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.39 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 -3.87 -0.37 -0.39 4.39 0.15 -1.21 -5.11 113.70 107.29 1j0q s SER 20 Ca 0.00 0.67 -0.14 0.00 0.70 0.00 0.00 55.95 57.18 1j0q s SER 20 Cb 0.00 0.66 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 1j0q s SER 20 CO 0.00 -0.16 0.26 -0.89 1.20 0.00 0.00 173.24 173.65 1j0q s THR 21 N -0.05 5.10 0.17 6.45 2.01 -1.26 -3.55 115.64 124.51 1j0q s THR 21 Ca 0.03 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.48 1j0q s THR 21 Cb -0.04 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1j0q s THR 21 CO -0.06 -0.22 0.09 0.26 -0.69 0.00 0.00 174.62 174.00 1j0q s TRP 22 N 1.66 3.04 0.14 4.92 0.52 0.33 -1.07 118.94 128.48 1j0q s TRP 22 Ca 0.05 -0.06 -0.11 0.00 0.02 0.00 0.00 56.10 55.99 1j0q s TRP 22 Cb -0.19 -1.46 0.01 0.00 -1.15 0.00 0.00 33.47 30.68 1j0q s TRP 22 CO 0.09 0.52 0.30 -0.48 0.02 0.00 0.00 176.95 177.40 1j0q s LEU 23 N -3.11 0.92 -0.25 2.99 0.05 0.00 -0.21 118.68 119.07 1j0q s LEU 23 Ca 0.30 -0.65 -0.09 0.00 0.05 0.00 0.00 54.13 53.74 1j0q s LEU 23 Cb -0.10 1.36 -0.04 0.00 -2.05 0.00 0.00 46.19 45.37 1j0q s LEU 23 CO 0.22 -0.85 0.12 -0.63 -0.55 0.00 0.00 176.35 174.66 1j0q s ILE 24 N -3.89 4.87 -0.38 1.48 1.01 -0.70 -1.05 121.20 122.54 1j0q s ILE 24 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1j0q s ILE 24 Cb 0.03 -3.28 0.12 0.00 0.01 0.00 0.00 42.46 39.33 1j0q s ILE 24 CO -0.06 0.32 0.16 -0.76 0.00 0.00 0.00 174.94 174.60 1j0q s LEU 25 N 1.44 2.65 -0.57 2.97 1.02 -0.96 -0.70 118.68 124.53 1j0q s LEU 25 Ca 0.06 -2.17 -0.00 0.00 0.02 0.00 0.00 54.13 52.04 1j0q s LEU 25 Cb -0.15 -1.00 0.00 0.00 0.02 0.00 0.00 46.19 45.06 1j0q s LEU 25 CO 0.06 -0.34 0.48 1.41 0.02 0.00 0.00 176.35 177.98 1j0q n HIS 26 N 4.15 -1.05 0.00 0.29 8.25 -1.26 -3.86 115.22 121.74 1j0q n HIS 26 Ca 0.04 0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1j0q n HIS 26 Cb 0.38 -3.45 0.00 0.00 1.12 0.00 0.00 29.99 28.04 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 -2.53 0.00 -1.01 4.41 4.01 -1.26 -4.93 117.16 115.84 1j0q n TYR 27 Ca -0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.31 1j0q n TYR 27 Cb 0.58 -0.19 0.15 0.00 -0.31 0.00 0.00 39.34 39.56 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 1.16 -0.03 -0.72 -0.14 -1.25 -0.62 119.74 118.14 1j0q s LYS 28 Ca 0.00 1.09 0.05 0.00 -1.36 0.00 0.00 55.97 55.75 1j0q s LYS 28 Cb 0.00 -1.78 -0.01 0.00 -1.68 0.00 0.00 37.83 34.36 1j0q s LYS 28 CO 0.00 -2.38 -0.19 0.08 -0.76 0.00 0.00 175.35 172.10 1j0q s VAL 29 N -2.80 1.49 -0.13 3.17 1.01 0.04 -2.27 120.40 120.92 1j0q s VAL 29 Ca 0.64 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1j0q s VAL 29 Cb -0.20 -1.25 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1j0q s VAL 29 CO 0.58 0.42 -0.02 -0.31 0.00 0.00 0.00 175.10 175.77 1j0q s TYR 30 N -0.26 1.18 -0.05 5.22 1.51 -0.21 -0.99 117.35 123.74 1j0q s TYR 30 Ca 0.03 -0.65 -0.19 0.00 -1.01 0.00 0.00 57.07 55.25 1j0q s TYR 30 Cb -0.09 -1.07 -0.05 0.00 -0.11 0.00 0.00 41.96 40.64 1j0q s TYR 30 CO 0.00 -0.49 0.53 0.34 -1.11 0.00 0.00 175.55 174.83 1j0q s ASP 31 N 1.81 6.84 -0.05 2.29 2.15 -0.14 -0.82 116.67 128.75 1j0q s ASP 31 Ca 0.03 1.00 -0.07 0.00 0.43 0.00 0.00 52.55 53.94 1j0q s ASP 31 Cb -0.14 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 40.13 1j0q s ASP 31 CO -0.07 0.07 -0.14 0.18 -0.17 0.00 0.00 175.17 175.04 1j0q n LEU 32 N 3.09 0.97 0.00 -1.34 4.77 -0.23 -4.70 117.00 119.56 1j0q n LEU 32 Ca -0.07 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1j0q n LEU 32 Cb 0.51 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1j0q n LEU 32 CO 0.43 -0.46 0.00 0.41 -1.33 0.00 0.00 177.39 176.44 1j0q n THR 33 N -3.45 0.00 -0.37 -5.08 -1.04 -1.25 -0.32 114.28 102.76 1j0q n THR 33 Ca -0.05 0.00 0.37 0.00 -2.04 0.00 0.00 64.05 62.32 1j0q n THR 33 Cb 0.20 0.00 0.75 0.00 -1.82 0.00 0.00 70.33 69.46 1j0q n THR 33 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1j0q h LYS 34 N 0.00 0.02 0.00 -2.82 2.10 -1.96 -0.05 116.57 113.86 1j0q h LYS 34 Ca 0.00 -0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.52 1j0q h LYS 34 Cb 0.00 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1j0q h LYS 34 CO 0.00 0.02 -0.73 0.35 -2.00 0.00 0.00 179.45 177.08 1j0q h PHE 35 N 0.02 0.00 -0.97 0.07 3.57 -1.04 -3.24 116.94 115.35 1j0q h PHE 35 Ca 0.62 0.00 0.25 0.00 3.53 0.00 0.00 57.97 62.37 1j0q h PHE 35 Cb 2.42 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 41.04 1j0q h PHE 35 CO -0.00 0.54 0.53 -0.07 -2.23 0.00 0.00 178.31 177.09 1j0q h LEU 36 N 0.00 0.55 -0.11 0.59 3.38 -1.17 0.30 115.31 118.85 1j0q h LEU 36 Ca -0.04 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1j0q h LEU 36 Cb 1.45 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1j0q h LEU 36 CO 0.06 0.04 0.04 -0.33 0.09 0.00 0.00 178.44 178.34 1j0q h GLU 37 N 0.49 0.10 -0.09 1.13 5.08 -1.69 -3.30 114.58 116.30 1j0q h GLU 37 Ca 0.64 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.75 1j0q h GLU 37 Cb 1.25 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.49 1j0q h GLU 37 CO -0.51 0.07 -0.88 0.93 -1.00 0.00 0.00 179.01 177.61 1j0q h GLU 38 N 0.10 0.73 -6.39 2.33 5.08 -0.90 -3.47 114.58 112.05 1j0q h GLU 38 Ca 0.04 -0.67 -0.53 0.00 -1.00 0.00 0.00 59.36 57.21 1j0q h GLU 38 Cb 0.01 0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.45 1j0q h GLU 38 CO -0.04 1.26 1.20 -1.58 -1.00 0.00 0.00 179.01 178.85 1j0q s HIS 39 N -3.57 1.53 0.30 4.33 2.46 0.77 -4.90 115.29 116.21 1j0q s HIS 39 Ca -0.10 -0.33 0.05 0.00 0.47 0.00 0.00 55.06 55.16 1j0q s HIS 39 Cb 0.08 -4.22 0.73 0.00 -0.13 0.00 0.00 32.58 29.05 1j0q s HIS 39 CO 0.91 -5.34 1.76 -1.35 -2.47 0.00 0.00 174.74 168.25 1j0q h PRO 40 N 10.04 0.67 0.00 2.88 0.11 -1.91 0.48 132.00 144.28 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 0.00 0.41 -0.21 0.00 0.00 178.00 179.59 1j0q n GLY 41 N -1.33 -0.76 2.27 -0.55 0.00 -1.26 -5.01 105.19 98.55 1j0q n GLY 41 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.31 -2.49 0.13 -0.02 0.00 0.16 -4.46 105.19 98.82 1j0q n GLY 42 Ca 0.13 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 1j0q n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0q n GLU 43 N -0.34 0.70 -0.08 1.61 0.00 -1.26 -4.30 120.64 116.98 1j0q n GLU 43 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 57.16 57.35 1j0q n GLU 43 Cb 0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 31.44 29.71 1j0q n GLU 43 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1j0q h GLU 44 N -0.16 -0.27 -0.09 5.31 3.07 -1.94 0.21 114.58 120.71 1j0q h GLU 44 Ca -0.46 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.36 1j0q h GLU 44 Cb 1.88 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.84 1j0q h GLU 44 CO -0.02 -0.18 -0.19 -0.24 -1.40 0.00 0.00 179.01 176.98 1j0q h VAL 45 N -0.28 1.18 -0.25 3.13 3.04 -1.81 0.74 116.25 122.00 1j0q h VAL 45 Ca 0.04 -0.84 -0.02 0.00 -1.01 0.00 0.00 66.70 64.88 1j0q h VAL 45 Cb 0.40 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 1j0q h VAL 45 CO -0.37 0.25 0.07 -0.07 -1.01 0.00 0.00 177.57 176.44 1j0q h LEU 46 N 0.13 0.37 -0.09 3.16 4.07 -1.40 -2.95 115.31 118.59 1j0q h LEU 46 Ca 0.02 -0.21 -0.25 0.00 0.08 0.00 0.00 57.88 57.53 1j0q h LEU 46 Cb 0.42 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 42.07 1j0q h LEU 46 CO 0.03 0.48 -1.00 0.03 -1.08 0.00 0.00 178.44 176.90 1j0q h ARG 47 N 0.23 0.53 -0.87 1.13 3.08 0.33 0.45 114.38 119.26 1j0q h ARG 47 Ca 0.08 -0.58 0.18 0.00 0.07 0.00 0.00 59.98 59.73 1j0q h ARG 47 Cb 0.24 0.17 -0.16 0.00 0.08 0.00 0.00 29.97 30.30 1j0q h ARG 47 CO -0.00 1.21 -0.18 1.49 -1.07 0.00 0.00 179.97 181.42 1j0q h GLU 48 N 0.30 0.01 0.14 0.04 4.81 -0.97 -1.89 114.58 117.02 1j0q h GLU 48 Ca -0.10 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.84 1j0q h GLU 48 Cb 1.64 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.04 1j0q h GLU 48 CO 0.18 0.01 -1.26 1.96 -0.73 0.00 0.00 179.01 179.17 1j0q h GLN 49 N 0.01 0.40 -7.17 1.92 7.50 -1.29 -3.48 115.11 113.00 1j0q h GLN 49 Ca 0.43 -0.62 -0.54 0.00 0.50 0.00 0.00 58.65 58.42 1j0q h GLN 49 Cb 0.70 0.22 0.18 0.00 0.05 0.00 0.00 27.48 28.62 1j0q h GLN 49 CO -0.88 1.28 0.37 0.00 -1.50 0.00 0.00 178.83 178.10 1j0q n ALA 50 N -2.60 0.26 -3.46 3.87 0.00 0.16 -3.03 120.51 115.71 1j0q n ALA 50 Ca -0.11 -0.24 -0.19 0.00 0.00 0.00 0.00 53.44 52.90 1j0q n ALA 50 Cb 1.01 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 18.27 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 0.66 -0.65 0.00 0.00 0.00 0.71 -4.73 105.19 101.18 1j0q n GLY 51 Ca 0.14 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.31 -1.15 3.74 -0.02 0.00 -1.17 -4.15 105.19 101.13 1j0q n GLY 52 Ca -0.21 -0.80 -0.42 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 -4.00 6.65 -0.06 1.61 2.15 -1.26 -1.73 116.67 120.03 1j0q s ASP 53 Ca 0.00 2.63 0.09 0.00 0.43 0.00 0.00 52.55 55.71 1j0q s ASP 53 Cb 0.00 -2.62 0.15 0.00 -0.30 0.00 0.00 42.92 40.15 1j0q s ASP 53 CO 0.00 -0.72 1.08 0.00 -0.17 0.00 0.00 175.17 175.36 1j0q n ALA 54 N 2.72 2.15 0.32 3.66 0.00 0.12 -4.81 120.51 124.67 1j0q n ALA 54 Ca 0.08 -1.81 -0.17 0.00 0.00 0.00 0.00 53.44 51.54 1j0q n ALA 54 Cb 0.40 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 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 3.66 0.31 0.73 0.00 2.02 -1.51 0.14 112.91 118.27 1j0q h THR 55 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1j0q h THR 55 Cb 1.22 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1j0q h THR 55 CO 0.00 0.00 -0.35 -0.08 0.37 0.00 0.00 175.52 175.46 1j0q h GLU 56 N -0.85 -0.95 -0.76 6.66 4.81 -1.90 -2.55 114.58 119.04 1j0q h GLU 56 Ca -0.07 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1j0q h GLU 56 Cb 0.69 0.22 -0.12 0.00 0.63 0.00 0.00 28.75 30.16 1j0q h GLU 56 CO 0.08 -0.63 0.16 -0.97 -0.73 0.00 0.00 179.01 176.92 1j0q h ASN 57 N -1.01 -0.05 0.19 1.04 -0.73 -1.87 0.19 115.58 113.34 1j0q h ASN 57 Ca -0.10 0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1j0q h ASN 57 Cb 0.76 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.57 1j0q h ASN 57 CO 0.17 -0.08 -0.17 0.15 -0.37 0.00 0.00 177.43 177.13 1j0q h PHE 58 N 0.23 -0.44 0.13 0.67 3.57 -0.63 -1.30 116.94 119.17 1j0q h PHE 58 Ca 0.44 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 1j0q h PHE 58 Cb 0.78 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1j0q h PHE 58 CO -0.29 -0.26 -0.06 0.93 -2.23 0.00 0.00 178.31 176.40 1j0q h GLU 59 N -0.38 -0.17 -0.74 1.11 4.39 -0.75 0.59 114.58 118.63 1j0q h GLU 59 Ca -0.00 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.79 1j0q h GLU 59 Cb 0.35 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.94 1j0q h GLU 59 CO -0.03 0.20 -0.39 -3.47 -1.16 0.00 0.00 179.01 174.17 1j0q n ASP 60 N -4.99 -0.69 -0.15 1.42 2.03 0.52 -0.84 116.55 113.86 1j0q n ASP 60 Ca -0.09 1.30 -0.10 0.00 0.52 0.00 0.00 54.79 56.42 1j0q n ASP 60 Cb 0.24 -0.21 -0.01 0.00 -0.72 0.00 0.00 41.12 40.42 1j0q n ASP 60 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1j0q h HIS 61 N 0.00 0.89 -0.03 -0.67 3.86 -1.11 -3.50 115.15 114.59 1j0q h HIS 61 Ca 0.16 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1j0q h HIS 61 Cb 0.35 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1j0q h HIS 61 CO -0.72 0.88 0.00 0.41 0.86 0.00 0.00 177.93 179.36 1j0q n GLY 62 N -0.30 0.43 3.21 2.45 0.00 0.19 -5.10 105.19 106.07 1j0q n GLY 62 Ca -0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 1j0q n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j0q s HIS 63 N -0.22 -0.77 1.11 1.61 3.76 -1.26 -4.95 115.29 114.57 1j0q s HIS 63 Ca 0.00 1.42 -0.16 0.00 -0.15 0.00 0.00 55.06 56.17 1j0q s HIS 63 Cb 0.00 0.25 0.24 0.00 1.11 0.00 0.00 32.58 34.19 1j0q s HIS 63 CO 0.00 -0.49 1.11 -1.12 -0.85 0.00 0.00 174.74 173.38 1j0q s SER 64 N 2.59 1.69 0.33 1.40 0.01 -1.26 -4.57 113.70 113.89 1j0q s SER 64 Ca -0.00 0.87 0.11 0.00 1.31 0.00 0.00 55.95 58.23 1j0q s SER 64 Cb -0.12 -1.30 0.92 0.00 0.21 0.00 0.00 66.02 65.73 1j0q s SER 64 CO -0.13 -3.67 1.73 0.00 0.41 0.00 0.00 173.24 171.58 1j0q h THR 65 N -2.27 0.52 0.05 1.44 1.03 -2.02 0.94 112.91 112.60 1j0q h THR 65 Ca -0.50 -0.19 0.02 0.00 -0.01 0.00 0.00 66.41 65.74 1j0q h THR 65 Cb 1.31 -0.08 -0.05 0.00 -1.07 0.00 0.00 68.15 68.26 1j0q h THR 65 CO 0.45 0.10 -0.49 0.44 -0.01 0.00 0.00 175.52 176.02 1j0q h ASP 66 N 0.55 -1.47 -0.60 0.00 5.19 -1.99 0.21 116.42 118.31 1j0q h ASP 66 Ca 0.65 0.17 -0.05 0.00 -0.62 0.00 0.00 57.03 57.18 1j0q h ASP 66 Cb 1.29 0.56 -0.03 0.00 0.18 0.00 0.00 39.33 41.33 1j0q h ASP 66 CO -0.47 -0.51 0.19 0.00 -3.12 0.00 0.00 179.24 175.33 1j0q h ALA 67 N -0.30 0.78 -0.01 3.45 0.00 -1.48 0.61 119.26 122.31 1j0q h ALA 67 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1j0q h ALA 67 Cb 0.71 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1j0q h ALA 67 CO -0.31 0.45 -0.17 0.00 0.00 0.00 0.00 179.25 179.22 1j0q h ARG 68 N 0.84 -0.19 -0.59 0.00 -0.00 -0.59 0.11 114.38 113.97 1j0q h ARG 68 Ca 0.19 0.01 0.12 0.00 -0.50 0.00 0.00 59.98 59.81 1j0q h ARG 68 Cb 0.28 0.04 -0.11 0.00 0.00 0.00 0.00 29.97 30.19 1j0q h ARG 68 CO -0.01 -0.13 -0.08 1.49 0.00 0.00 0.00 179.97 181.24 1j0q h GLU 69 N -0.20 0.04 -0.55 0.04 4.57 -0.31 0.32 114.58 118.49 1j0q h GLU 69 Ca 0.01 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 1j0q h GLU 69 Cb 0.22 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.72 1j0q h GLU 69 CO -0.12 0.03 0.09 -0.07 -1.18 0.00 0.00 179.01 177.76 1j0q h LEU 70 N 0.04 -0.06 -1.67 1.64 -0.00 -0.72 -0.80 115.31 113.75 1j0q h LEU 70 Ca 0.29 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 58.28 1j0q h LEU 70 Cb 0.46 0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 1j0q h LEU 70 CO -0.56 -0.01 0.16 0.77 -0.00 0.00 0.00 178.44 178.79 1j0q h SER 71 N 0.21 0.33 0.55 -0.43 4.64 0.14 0.46 113.55 119.45 1j0q h SER 71 Ca 0.28 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1j0q h SER 71 Cb 0.42 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1j0q h SER 71 CO -0.39 0.27 -0.28 0.11 -0.87 0.00 0.00 176.83 175.66 1j0q h LYS 72 N 0.38 -0.73 0.00 4.77 1.57 -0.42 -1.89 116.57 120.24 1j0q h LYS 72 Ca 0.10 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1j0q h LYS 72 Cb 0.01 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1j0q h LYS 72 CO -0.02 -0.49 -0.03 0.00 -0.57 0.00 0.00 179.45 178.34 1j0q h THR 73 N -0.76 0.13 0.00 -0.16 1.03 -0.84 -0.32 112.91 111.99 1j0q h THR 73 Ca -0.07 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.00 1j0q h THR 73 Cb 0.60 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 1j0q h THR 73 CO 0.11 0.03 -0.02 0.49 -0.01 0.00 0.00 175.52 176.12 1j0q n PHE 74 N -3.21 0.04 -1.63 0.00 3.72 0.04 -4.91 117.46 111.51 1j0q n PHE 74 Ca -0.01 0.01 -0.47 0.00 -0.05 0.00 0.00 57.45 56.93 1j0q n PHE 74 Cb 0.20 -0.51 -0.04 0.00 -0.94 0.00 0.00 39.48 38.19 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 -1.54 0.72 0.00 4.37 2.08 -0.13 -0.97 119.36 123.89 1j0q n ILE 75 Ca 0.07 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1j0q n ILE 75 Cb 0.34 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.07 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 1.98 0.00 -3.81 1.39 -6.64 -0.16 -4.83 119.36 107.29 1j0q n ILE 76 Ca 0.14 -0.08 -0.01 0.00 -1.77 0.00 0.00 62.75 61.04 1j0q n ILE 76 Cb 0.27 0.47 0.01 0.00 -1.44 0.00 0.00 39.64 38.96 1j0q n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1j0q n GLY 77 N 1.14 0.68 3.09 3.28 0.00 -1.08 -4.98 105.19 107.32 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 -2.03 0.60 -0.47 1.61 8.01 -1.26 -0.78 118.70 124.38 1j0q s GLU 78 Ca 0.17 -1.04 -0.25 0.00 0.01 0.00 0.00 54.97 53.85 1j0q s GLU 78 Cb -0.02 -0.03 0.03 0.00 -4.31 0.00 0.00 34.13 29.80 1j0q s GLU 78 CO 0.03 -0.04 0.93 -1.17 0.01 0.00 0.00 175.26 175.01 1j0q s LEU 79 N -2.41 4.01 -0.11 1.80 1.98 0.20 -0.54 118.68 123.62 1j0q s LEU 79 Ca 0.01 0.08 -0.34 0.00 -2.89 0.00 0.00 54.13 50.99 1j0q s LEU 79 Cb 0.00 -3.17 -0.12 0.00 0.66 0.00 0.00 46.19 43.56 1j0q s LEU 79 CO -0.05 -1.06 1.91 1.57 -1.89 0.00 0.00 176.35 176.83 1j0q n HIS 80 N 7.19 2.28 0.41 5.38 -0.00 0.06 -4.79 115.22 125.74 1j0q n HIS 80 Ca 0.06 0.02 0.08 0.00 -0.00 0.00 0.00 57.72 57.88 1j0q n HIS 80 Cb 0.48 -2.66 0.37 0.00 -0.00 0.00 0.00 29.99 28.18 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 6.77 0.08 -0.02 1.57 -0.02 -1.26 -0.81 135.00 141.30 1j0q n PRO 81 Ca 0.24 0.35 0.15 0.00 -2.02 0.00 0.00 63.50 62.23 1j0q n PRO 81 Cb 0.29 -1.66 0.59 0.00 -0.02 0.00 0.00 33.50 32.71 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 0.18 0.00 2.55 3.58 -2.01 -3.06 116.42 117.67 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 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1j0q h ASP 82 CO 0.00 0.10 0.00 -0.67 -2.88 0.00 0.00 179.24 175.79 1j0q n ASP 83 N -4.44 0.00 -0.13 2.28 2.03 0.01 -5.20 116.55 111.10 1j0q n ASP 83 Ca 0.09 0.76 0.15 0.00 0.52 0.00 0.00 54.79 56.31 1j0q n ASP 83 Cb 0.46 -0.26 0.84 0.00 -0.72 0.00 0.00 41.12 41.44 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17