#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 1.42 -0.23 0.00 -7.23 -1.26 -5.00 120.40 108.09 1j0q s VAL 4 Ca 0.00 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.03 1j0q s VAL 4 Cb 0.00 -2.22 -0.17 0.00 0.56 0.00 0.00 36.38 34.55 1j0q s VAL 4 CO 0.00 0.00 -0.06 0.29 -0.31 0.00 0.00 175.10 175.02 1j0q n LYS 5 N -5.26 0.61 -0.50 4.82 5.02 -1.26 -5.12 118.16 116.46 1j0q n LYS 5 Ca 0.12 0.35 0.01 0.00 -2.02 0.00 0.00 58.31 56.77 1j0q n LYS 5 Cb 0.59 -1.61 -0.00 0.00 -0.02 0.00 0.00 35.03 33.99 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 -4.09 -1.37 -3.77 2.13 4.01 -1.26 -5.06 117.16 107.74 1j0q n TYR 6 Ca -0.43 0.74 -0.24 0.00 -0.16 0.00 0.00 57.90 57.81 1j0q n TYR 6 Cb 0.85 -1.46 -0.17 0.00 -0.31 0.00 0.00 39.34 38.25 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 -4.34 0.79 0.31 -0.72 1.51 -0.06 -4.89 117.35 109.95 1j0q s TYR 7 Ca 0.00 -0.34 -0.22 0.00 -1.01 0.00 0.00 57.07 55.50 1j0q s TYR 7 Cb 0.00 -0.88 -0.09 0.00 -0.11 0.00 0.00 41.96 40.88 1j0q s TYR 7 CO 0.00 -0.39 0.86 0.95 -1.11 0.00 0.00 175.55 175.85 1j0q s THR 8 N 1.93 4.39 0.30 -0.71 -4.23 -1.26 0.07 115.64 116.12 1j0q s THR 8 Ca 0.04 1.54 0.05 0.00 -1.18 0.00 0.00 61.69 62.14 1j0q s THR 8 Cb -0.13 -3.87 0.29 0.00 1.34 0.00 0.00 72.50 70.13 1j0q s THR 8 CO -0.06 0.07 1.72 0.25 -0.54 0.00 0.00 174.62 176.06 1j0q h LEU 9 N 3.00 0.49 -0.97 4.79 7.12 -1.94 0.44 115.31 128.24 1j0q h LEU 9 Ca -0.48 0.14 0.25 0.00 0.13 0.00 0.00 57.88 57.92 1j0q h LEU 9 Cb 1.19 0.08 -0.18 0.00 -0.53 0.00 0.00 40.66 41.22 1j0q h LEU 9 CO 0.65 0.06 -0.05 1.21 -0.13 0.00 0.00 178.44 180.18 1j0q n GLU 10 N -4.96 -0.08 0.00 1.25 4.07 -1.26 -0.81 120.64 118.85 1j0q n GLU 10 Ca 0.23 1.47 -0.10 0.00 -0.06 0.00 0.00 57.16 58.70 1j0q n GLU 10 Cb 0.67 -2.29 -0.08 0.00 -0.06 0.00 0.00 31.44 29.67 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 -0.11 -0.76 5.31 4.39 -0.64 -3.33 114.58 119.43 1j0q h GLU 11 Ca 0.55 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.31 1j0q h GLU 11 Cb 1.08 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 1j0q h GLU 11 CO -0.93 0.41 0.46 0.82 -1.16 0.00 0.00 179.01 178.61 1j0q h ILE 12 N -0.89 1.04 -0.29 3.13 2.04 0.11 0.29 117.51 122.94 1j0q h ILE 12 Ca -0.01 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1j0q h ILE 12 Cb 0.57 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1j0q h ILE 12 CO 0.02 0.16 -0.12 1.56 0.00 0.00 0.00 178.15 179.77 1j0q h GLN 13 N 0.86 0.48 -0.11 2.37 4.20 -1.15 -3.02 115.11 118.75 1j0q h GLN 13 Ca 0.33 -0.13 -0.20 0.00 0.06 0.00 0.00 58.65 58.71 1j0q h GLN 13 Cb 0.13 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1j0q h GLN 13 CO -0.16 0.60 -0.74 -0.22 -0.67 0.00 0.00 178.83 177.64 1j0q h LYS 14 N 0.45 0.55 -6.93 1.46 1.63 -0.76 -3.42 116.57 109.54 1j0q h LYS 14 Ca 0.08 -0.44 -0.54 0.00 -0.85 0.00 0.00 60.65 58.90 1j0q h LYS 14 Cb 0.47 0.09 0.10 0.00 -0.60 0.00 0.00 32.23 32.29 1j0q h LYS 14 CO 0.03 1.07 0.76 -1.01 -3.45 0.00 0.00 179.45 176.85 1j0q s HIS 15 N -3.67 2.68 0.00 1.91 3.76 0.69 -1.96 115.29 118.69 1j0q s HIS 15 Ca -0.07 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 1j0q s HIS 15 Cb 0.10 -3.96 0.00 0.00 1.11 0.00 0.00 32.58 29.83 1j0q s HIS 15 CO 0.86 -2.81 0.00 -1.71 -0.85 0.00 0.00 174.74 170.24 1j0q n ASN 16 N 0.58 0.00 -3.38 1.40 2.85 0.78 -3.66 115.26 113.84 1j0q n ASN 16 Ca 0.01 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.09 1j0q n ASN 16 Cb 0.40 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.40 1j0q n ASN 16 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1j0q n ASN 17 N 0.00 8.49 0.00 1.20 5.15 -0.83 -4.68 115.26 124.60 1j0q n ASN 17 Ca 0.00 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.19 1j0q n ASN 17 Cb 0.00 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 37.77 1j0q n ASN 17 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1j0q n SER 18 N 2.87 0.00 -0.16 1.20 3.41 -1.26 -4.74 113.62 114.93 1j0q n SER 18 Ca 0.73 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 59.23 1j0q n SER 18 Cb 0.24 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 1j0q n SER 18 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1j0q h LYS 19 N 0.00 -0.29 -1.88 4.33 2.10 -1.88 -3.41 116.57 115.54 1j0q h LYS 19 Ca 0.00 0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.65 1j0q h LYS 19 Cb 0.00 0.07 -0.21 0.00 -0.90 0.00 0.00 32.23 31.19 1j0q h LYS 19 CO 0.00 -0.19 0.27 -1.12 -2.00 0.00 0.00 179.45 176.41 1j0q s SER 20 N -5.10 -0.60 -0.22 7.07 0.01 -1.26 -5.03 113.70 108.56 1j0q s SER 20 Ca -0.14 0.76 -0.21 0.00 1.31 0.00 0.00 55.95 57.67 1j0q s SER 20 Cb 0.12 0.63 -0.02 0.00 0.21 0.00 0.00 66.02 66.96 1j0q s SER 20 CO 0.65 -0.48 0.63 -0.89 0.41 0.00 0.00 173.24 173.56 1j0q s THR 21 N -0.88 5.00 0.27 1.44 2.01 -1.26 -0.15 115.64 122.07 1j0q s THR 21 Ca -0.07 1.17 0.10 0.00 0.31 0.00 0.00 61.69 63.20 1j0q s THR 21 Cb -0.01 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1j0q s THR 21 CO 0.06 0.08 -0.02 0.26 -0.69 0.00 0.00 174.62 174.31 1j0q s TRP 22 N 2.15 2.65 0.16 4.92 0.52 -1.26 -1.07 118.94 127.00 1j0q s TRP 22 Ca 0.28 -0.25 -0.08 0.00 0.02 0.00 0.00 56.10 56.07 1j0q s TRP 22 Cb -0.16 -1.20 -0.01 0.00 -1.15 0.00 0.00 33.47 30.95 1j0q s TRP 22 CO 0.10 0.61 0.26 -0.48 0.02 0.00 0.00 176.95 177.46 1j0q s LEU 23 N -3.67 1.06 -0.22 2.99 0.05 -0.22 -0.19 118.68 118.48 1j0q s LEU 23 Ca 0.32 -0.88 -0.07 0.00 0.05 0.00 0.00 54.13 53.55 1j0q s LEU 23 Cb -0.06 1.11 -0.03 0.00 -2.05 0.00 0.00 46.19 45.16 1j0q s LEU 23 CO 0.19 -0.87 0.06 -0.63 -0.55 0.00 0.00 176.35 174.56 1j0q s ILE 24 N -3.97 4.50 -0.36 1.48 1.01 -0.34 -0.88 121.20 122.65 1j0q s ILE 24 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1j0q s ILE 24 Cb 0.04 -3.06 0.12 0.00 0.01 0.00 0.00 42.46 39.56 1j0q s ILE 24 CO -0.01 0.40 0.16 -0.76 0.00 0.00 0.00 174.94 174.72 1j0q s LEU 25 N 1.03 2.30 -0.12 2.97 1.02 -0.45 -0.46 118.68 124.97 1j0q s LEU 25 Ca 0.04 -2.04 -0.00 0.00 0.02 0.00 0.00 54.13 52.15 1j0q s LEU 25 Cb -0.14 -0.89 -0.00 0.00 0.02 0.00 0.00 46.19 45.18 1j0q s LEU 25 CO 0.03 -0.35 0.10 1.41 0.02 0.00 0.00 176.35 177.56 1j0q n HIS 26 N 4.31 -0.24 -4.11 0.29 8.25 -1.26 -3.85 115.22 118.62 1j0q n HIS 26 Ca 0.03 0.09 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 1j0q n HIS 26 Cb 0.39 -2.44 -0.01 0.00 1.12 0.00 0.00 29.99 29.05 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 -1.44 -1.85 -3.85 4.41 4.01 -1.26 -4.96 117.16 112.22 1j0q n TYR 27 Ca -0.02 0.81 -0.11 0.00 -0.16 0.00 0.00 57.90 58.42 1j0q n TYR 27 Cb 0.52 -3.30 -0.09 0.00 -0.31 0.00 0.00 39.34 36.16 1j0q n TYR 27 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1j0q s LYS 28 N -6.80 0.64 -0.05 -0.72 2.47 -1.25 -4.34 119.74 109.69 1j0q s LYS 28 Ca 0.60 -0.54 0.04 0.00 -1.56 0.00 0.00 55.97 54.52 1j0q s LYS 28 Cb -0.32 0.27 -0.02 0.00 -1.46 0.00 0.00 37.83 36.29 1j0q s LYS 28 CO 0.90 -0.18 -0.16 0.08 0.16 0.00 0.00 175.35 176.16 1j0q s VAL 29 N -2.16 2.94 -0.12 4.02 1.01 -0.11 -1.34 120.40 124.64 1j0q s VAL 29 Ca -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1j0q s VAL 29 Cb -0.03 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1j0q s VAL 29 CO -0.02 0.59 -0.04 -0.31 0.00 0.00 0.00 175.10 175.33 1j0q s TYR 30 N -0.68 1.21 -0.09 5.22 1.51 -0.06 -1.42 117.35 123.05 1j0q s TYR 30 Ca 0.10 -0.63 -0.19 0.00 -1.01 0.00 0.00 57.07 55.35 1j0q s TYR 30 Cb -0.11 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1j0q s TYR 30 CO 0.01 -0.48 0.53 0.34 -1.11 0.00 0.00 175.55 174.83 1j0q s ASP 31 N 1.80 6.77 -0.00 2.29 -1.08 -0.64 -1.05 116.67 124.75 1j0q s ASP 31 Ca 0.04 0.92 0.00 0.00 -0.52 0.00 0.00 52.55 52.99 1j0q s ASP 31 Cb -0.13 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1j0q s ASP 31 CO -0.07 0.00 0.95 0.18 0.52 0.00 0.00 175.17 176.75 1j0q n LEU 32 N 3.52 1.79 -0.31 -1.34 4.77 -0.24 -4.75 117.00 120.45 1j0q n LEU 32 Ca -0.06 -1.80 0.11 0.00 -0.03 0.00 0.00 56.01 54.23 1j0q n LEU 32 Cb 0.52 -0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.89 1j0q n LEU 32 CO 0.44 0.45 1.11 0.74 -1.33 0.00 0.00 177.39 178.79 1j0q h THR 33 N 0.31 0.63 -0.36 -5.08 2.02 -1.94 0.73 112.91 109.22 1j0q h THR 33 Ca 0.00 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1j0q h THR 33 Cb 0.55 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1j0q h THR 33 CO 0.00 0.11 -0.27 0.07 0.37 0.00 0.00 175.52 175.80 1j0q h LYS 34 N 0.58 0.82 0.00 6.66 2.10 -1.95 -3.31 116.57 121.47 1j0q h LYS 34 Ca 0.53 -0.40 -0.05 0.00 -2.00 0.00 0.00 60.65 58.74 1j0q h LYS 34 Cb 0.88 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.20 1j0q h LYS 34 CO -0.43 1.03 -0.23 0.35 -2.00 0.00 0.00 179.45 178.18 1j0q h PHE 35 N 0.61 0.00 -0.77 0.07 3.57 -0.02 -0.15 116.94 120.26 1j0q h PHE 35 Ca 0.07 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.81 1j0q h PHE 35 Cb 0.84 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.44 1j0q h PHE 35 CO 0.06 0.23 0.11 1.28 -2.23 0.00 0.00 178.31 177.76 1j0q n LEU 36 N -3.63 -0.01 0.25 0.59 4.77 0.25 -0.13 117.00 119.09 1j0q n LEU 36 Ca -0.01 1.30 -0.12 0.00 -0.03 0.00 0.00 56.01 57.14 1j0q n LEU 36 Cb 0.36 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1j0q n LEU 36 CO 0.33 -1.35 0.38 -0.33 -1.33 0.00 0.00 177.39 175.09 1j0q h GLU 37 N 0.00 -0.65 -0.30 3.23 5.08 -1.24 -3.24 114.58 117.46 1j0q h GLU 37 Ca 0.51 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.87 1j0q h GLU 37 Cb 1.14 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1j0q h GLU 37 CO -0.69 -0.36 -0.01 0.93 -1.00 0.00 0.00 179.01 177.88 1j0q h GLU 38 N -1.08 0.46 -6.25 2.33 5.08 -1.24 -3.45 114.58 110.42 1j0q h GLU 38 Ca -0.07 -0.09 -0.60 0.00 -1.00 0.00 0.00 59.36 57.60 1j0q h GLU 38 Cb 0.58 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1j0q h GLU 38 CO 0.11 0.50 1.18 1.58 -1.00 0.00 0.00 179.01 181.38 1j0q n HIS 39 N -4.30 2.30 -0.29 4.33 -0.00 0.81 -4.88 115.22 113.20 1j0q n HIS 39 Ca 0.01 -0.08 0.11 0.00 0.46 0.00 0.00 57.72 58.22 1j0q n HIS 39 Cb 0.23 -2.69 0.35 0.00 -0.12 0.00 0.00 29.99 27.76 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 10.14 0.74 -0.18 1.57 0.11 -1.90 0.26 132.00 142.73 1j0q h PRO 40 Ca -0.47 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.64 1j0q h PRO 40 Cb 1.27 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1j0q h PRO 40 CO 0.95 0.49 0.13 0.78 -0.21 0.00 0.00 178.00 180.14 1j0q h GLY 41 N 0.76 0.04 0.00 -0.55 0.00 -1.98 -3.49 103.07 97.85 1j0q h GLY 41 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1j0q h GLY 41 CO -0.22 0.01 0.00 0.61 0.00 0.00 0.00 176.54 176.94 1j0q n GLY 42 N -1.57 -0.93 0.09 4.60 0.00 0.90 -4.57 105.19 103.71 1j0q n GLY 42 Ca 0.01 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.09 -0.67 1.61 4.81 -1.83 -3.28 114.58 115.14 1j0q h GLU 43 Ca 0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1j0q h GLU 43 Cb 0.00 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.29 1j0q h GLU 43 CO 0.00 0.34 -0.46 0.93 -0.73 0.00 0.00 179.01 179.09 1j0q h GLU 44 N -0.55 -0.18 -0.90 1.92 5.08 -1.92 0.56 114.58 118.59 1j0q h GLU 44 Ca -0.01 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1j0q h GLU 44 Cb 0.47 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 1j0q h GLU 44 CO 0.02 -0.12 0.58 -0.39 -1.00 0.00 0.00 179.01 178.10 1j0q h VAL 45 N -0.19 1.07 -0.46 3.13 -1.51 -1.81 -0.10 116.25 116.39 1j0q h VAL 45 Ca 0.19 -0.35 -0.14 0.00 -1.23 0.00 0.00 66.70 65.17 1j0q h VAL 45 Cb 0.55 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.66 1j0q h VAL 45 CO -0.75 0.19 -0.24 0.25 -1.23 0.00 0.00 177.57 175.79 1j0q h LEU 46 N 1.02 1.00 -0.35 4.19 5.85 -0.59 -3.26 115.31 123.18 1j0q h LEU 46 Ca 0.38 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1j0q h LEU 46 Cb 0.19 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1j0q h LEU 46 CO -0.14 1.18 0.03 -0.09 -0.34 0.00 0.00 178.44 179.08 1j0q h ARG 47 N 0.83 0.60 -1.04 1.25 2.43 0.17 0.40 114.38 119.01 1j0q h ARG 47 Ca 0.10 -0.18 0.30 0.00 -0.81 0.00 0.00 59.98 59.40 1j0q h ARG 47 Cb 0.82 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 1j0q h ARG 47 CO 0.07 0.69 0.88 1.49 -1.51 0.00 0.00 179.97 181.59 1j0q h GLU 48 N 0.42 0.00 0.00 0.20 4.57 -1.21 -2.17 114.58 116.39 1j0q h GLU 48 Ca 0.10 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1j0q h GLU 48 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1j0q h GLU 48 CO 0.01 0.00 -1.48 1.04 -1.18 0.00 0.00 179.01 177.40 1j0q n GLN 49 N -3.86 1.17 -0.72 1.92 1.13 -0.58 -5.05 117.38 111.39 1j0q n GLN 49 Ca 0.22 -0.05 -0.32 0.00 -1.94 0.00 0.00 57.00 54.91 1j0q n GLN 49 Cb 1.22 -1.22 0.15 0.00 0.11 0.00 0.00 30.24 30.50 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 -2.01 -1.88 -3.95 -1.58 0.00 0.13 -2.65 120.51 108.57 1j0q n ALA 50 Ca -0.06 -0.64 -0.31 0.00 0.00 0.00 0.00 53.44 52.43 1j0q n ALA 50 Cb 0.45 -1.98 -0.02 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 0.95 -0.42 3.93 0.00 0.00 0.73 -4.92 105.19 105.46 1j0q n GLY 51 Ca 0.09 0.20 -0.01 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 -3.95 0.04 -0.09 -0.02 0.00 -1.08 -4.23 107.32 97.98 1j0q s GLY 52 Ca 0.23 -0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.47 1j0q s GLY 52 CO 0.74 3.70 0.86 -0.35 0.00 0.00 0.00 173.10 178.05 1j0q s ASP 53 N -3.57 7.11 -0.16 1.64 -1.08 -1.26 -1.19 116.67 118.16 1j0q s ASP 53 Ca 0.25 1.35 0.14 0.00 -0.52 0.00 0.00 52.55 53.77 1j0q s ASP 53 Cb -0.02 -2.49 0.38 0.00 -1.46 0.00 0.00 42.92 39.34 1j0q s ASP 53 CO 0.03 -0.30 1.19 0.00 0.52 0.00 0.00 175.17 176.62 1j0q n ALA 54 N 4.49 3.19 0.46 3.66 0.00 0.39 -4.87 120.51 127.83 1j0q n ALA 54 Ca 0.04 -2.98 -0.19 0.00 0.00 0.00 0.00 53.44 50.31 1j0q n ALA 54 Cb 0.50 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 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 1.89 0.13 -0.05 0.00 2.02 -1.88 0.62 112.91 115.64 1j0q h THR 55 Ca -0.03 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1j0q h THR 55 Cb 1.14 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1j0q h THR 55 CO 0.01 0.00 -0.48 -0.08 0.37 0.00 0.00 175.52 175.35 1j0q h GLU 56 N -1.19 -0.54 -0.53 6.66 4.81 -1.91 -1.25 114.58 120.61 1j0q h GLU 56 Ca -0.12 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1j0q h GLU 56 Cb 0.90 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.30 1j0q h GLU 56 CO 0.20 -0.36 -0.09 -0.97 -0.73 0.00 0.00 179.01 177.05 1j0q h ASN 57 N -0.56 -0.41 0.05 1.04 -0.73 -1.90 0.19 115.58 113.26 1j0q h ASN 57 Ca 0.02 0.15 0.01 0.00 1.87 0.00 0.00 56.30 58.35 1j0q h ASN 57 Cb 0.62 0.30 -0.02 0.00 0.27 0.00 0.00 38.32 39.49 1j0q h ASN 57 CO -0.35 -0.15 -0.12 0.15 -0.37 0.00 0.00 177.43 176.59 1j0q h PHE 58 N 0.04 -0.32 0.91 0.67 3.57 -0.57 -1.44 116.94 119.80 1j0q h PHE 58 Ca 0.26 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1j0q h PHE 58 Cb 0.41 0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.29 1j0q h PHE 58 CO -0.41 -0.19 -0.44 1.49 -2.23 0.00 0.00 178.31 176.53 1j0q h GLU 59 N -0.24 -1.18 -0.61 1.11 4.57 -0.24 -3.13 114.58 114.86 1j0q h GLU 59 Ca 0.03 0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.36 1j0q h GLU 59 Cb 0.27 0.27 -0.08 0.00 -0.16 0.00 0.00 28.75 29.04 1j0q h GLU 59 CO -0.09 -0.79 -0.32 -3.47 -1.18 0.00 0.00 179.01 173.16 1j0q n ASP 60 N -5.52 -0.57 0.00 1.04 2.03 0.58 -0.21 116.55 113.91 1j0q n ASP 60 Ca -0.15 1.08 0.04 0.00 0.52 0.00 0.00 54.79 56.28 1j0q n ASP 60 Cb 0.48 -0.17 0.20 0.00 -0.72 0.00 0.00 41.12 40.91 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 -4.81 0.00 -2.95 -0.67 8.25 -0.54 -4.85 115.22 109.65 1j0q n HIS 61 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 1j0q n HIS 61 Cb 0.19 -0.28 0.04 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.61 0.01 3.70 -1.41 0.00 0.71 -4.93 105.19 102.67 1j0q n GLY 62 Ca 0.04 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.01 2.46 -0.77 1.61 8.25 -1.24 -4.94 115.22 116.58 1j0q n HIS 63 Ca -0.03 0.36 -0.30 0.00 -0.26 0.00 0.00 57.72 57.49 1j0q n HIS 63 Cb 0.55 -2.52 0.18 0.00 1.12 0.00 0.00 29.99 29.32 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 0.37 2.60 0.31 0.41 0.01 -1.26 -4.65 113.70 111.50 1j0q s SER 64 Ca 0.66 1.89 0.07 0.00 1.31 0.00 0.00 55.95 59.88 1j0q s SER 64 Cb -0.58 -2.45 0.88 0.00 0.21 0.00 0.00 66.02 64.08 1j0q s SER 64 CO 0.49 -3.25 1.61 0.71 0.41 0.00 0.00 173.24 173.21 1j0q h THR 65 N -1.97 0.15 -0.18 1.44 1.35 -1.98 0.90 112.91 112.62 1j0q h THR 65 Ca -0.49 -0.04 -0.03 0.00 -0.55 0.00 0.00 66.41 65.30 1j0q h THR 65 Cb 1.28 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1j0q h THR 65 CO 0.46 0.02 -0.01 0.44 -0.25 0.00 0.00 175.52 176.18 1j0q h ASP 66 N 0.11 0.32 -0.50 5.36 5.19 -1.99 0.18 116.42 125.09 1j0q h ASP 66 Ca 0.64 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1j0q h ASP 66 Cb 1.42 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.82 1j0q h ASP 66 CO -0.77 0.57 0.29 0.00 -3.12 0.00 0.00 179.24 176.22 1j0q h ALA 67 N 0.76 0.64 0.06 3.45 0.00 -1.66 0.33 119.26 122.83 1j0q h ALA 67 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1j0q h ALA 67 Cb 0.42 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1j0q h ALA 67 CO 0.01 0.14 -0.51 0.00 0.00 0.00 0.00 179.25 178.88 1j0q h ARG 68 N 0.67 -0.66 -0.69 0.00 -0.00 -0.41 1.00 114.38 114.28 1j0q h ARG 68 Ca 0.18 0.05 0.13 0.00 -0.50 0.00 0.00 59.98 59.83 1j0q h ARG 68 Cb 0.01 0.15 -0.13 0.00 0.00 0.00 0.00 29.97 30.00 1j0q h ARG 68 CO -0.03 -0.44 -0.29 1.49 0.00 0.00 0.00 179.97 180.69 1j0q h GLU 69 N -0.69 -0.09 -0.79 0.04 4.57 -0.45 -0.08 114.58 117.09 1j0q h GLU 69 Ca 0.00 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.33 1j0q h GLU 69 Cb 0.71 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.23 1j0q h GLU 69 CO -0.31 -0.06 0.37 -0.07 -1.18 0.00 0.00 179.01 177.75 1j0q h LEU 70 N -0.09 0.41 -0.78 1.64 -0.00 -0.16 0.98 115.31 117.30 1j0q h LEU 70 Ca 0.29 0.10 0.07 0.00 -0.00 0.00 0.00 57.88 58.33 1j0q h LEU 70 Cb 0.56 0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.19 1j0q h LEU 70 CO -0.75 0.18 0.46 0.28 -0.00 0.00 0.00 178.44 178.61 1j0q h SER 71 N 0.54 0.71 -0.05 -0.43 0.02 0.11 0.15 113.55 114.59 1j0q h SER 71 Ca 0.43 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.43 1j0q h SER 71 Cb 0.61 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1j0q h SER 71 CO -0.37 0.45 -0.16 0.11 -1.14 0.00 0.00 176.83 175.72 1j0q h LYS 72 N 0.84 -0.23 -0.95 3.45 1.57 -0.23 -1.03 116.57 120.00 1j0q h LYS 72 Ca 0.35 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.34 1j0q h LYS 72 Cb 0.21 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.49 1j0q h LYS 72 CO -0.19 -0.15 0.61 1.15 -0.57 0.00 0.00 179.45 180.30 1j0q h THR 73 N -0.24 0.70 0.00 -0.16 2.02 -0.16 -0.67 112.91 114.40 1j0q h THR 73 Ca 0.07 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1j0q h THR 73 Cb 0.33 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1j0q h THR 73 CO -0.19 0.10 -0.22 0.49 0.37 0.00 0.00 175.52 176.07 1j0q n PHE 74 N -4.60 0.03 -1.67 3.16 3.72 0.38 -4.89 117.46 113.59 1j0q n PHE 74 Ca 0.21 0.01 -0.46 0.00 -0.05 0.00 0.00 57.45 57.16 1j0q n PHE 74 Cb 0.64 -0.41 -0.04 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.53 0.03 0.00 4.37 5.41 -0.26 -1.63 119.36 125.75 1j0q n ILE 75 Ca 0.06 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1j0q n ILE 75 Cb 0.34 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 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 3.43 0.00 -1.48 1.39 -5.35 -0.50 -4.91 119.36 111.93 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 0.29 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 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 0.55 -1.51 3.15 3.28 0.00 -1.22 -4.98 105.19 104.45 1j0q n GLY 77 Ca 0.00 -1.04 -0.11 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 -1.40 0.56 -0.26 1.61 2.02 -1.26 -0.94 118.70 119.04 1j0q s GLU 78 Ca 0.00 -0.41 -0.40 0.00 0.02 0.00 0.00 54.97 54.18 1j0q s GLU 78 Cb 0.00 0.24 -0.16 0.00 0.10 0.00 0.00 34.13 34.31 1j0q s GLU 78 CO 0.00 -0.15 1.68 -0.11 0.02 0.00 0.00 175.26 176.71 1j0q n LEU 79 N 1.26 2.18 -4.61 1.80 7.94 -1.25 -0.88 117.00 123.43 1j0q n LEU 79 Ca -0.22 1.09 -0.43 0.00 -1.11 0.00 0.00 56.01 55.34 1j0q n LEU 79 Cb 0.56 -1.12 -0.03 0.00 0.53 0.00 0.00 43.42 43.36 1j0q n LEU 79 CO 0.21 -0.55 1.70 -2.28 -1.11 0.00 0.00 177.39 175.36 1j0q s HIS 80 N 3.14 1.42 0.61 1.96 5.65 0.11 -4.81 115.29 123.36 1j0q s HIS 80 Ca 0.98 0.41 0.28 0.00 0.25 0.00 0.00 55.06 56.98 1j0q s HIS 80 Cb -1.10 -4.02 1.48 0.00 -1.18 0.00 0.00 32.58 27.76 1j0q s HIS 80 CO 0.65 -3.95 1.88 -1.35 -0.65 0.00 0.00 174.74 171.33 1j0q h PRO 81 N 13.48 0.00 -0.27 2.88 0.11 -1.90 0.82 132.00 147.12 1j0q h PRO 81 Ca -0.40 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.79 1j0q h PRO 81 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1j0q h PRO 81 CO 0.98 0.00 0.33 0.22 -0.21 0.00 0.00 178.00 179.32 1j0q h ASP 82 N 0.00 0.00 -0.83 -2.05 3.58 -2.00 0.31 116.42 115.42 1j0q h ASP 82 Ca 0.16 0.00 0.21 0.00 0.42 0.00 0.00 57.03 57.82 1j0q h ASP 82 Cb 1.09 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.00 1j0q h ASP 82 CO -0.00 0.00 0.15 -0.78 -2.88 0.00 0.00 179.24 175.73 1j0q h ASP 83 N 0.00 -0.12 -0.02 2.28 1.82 -1.19 -3.54 116.42 115.65 1j0q h ASP 83 Ca 0.13 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1j0q h ASP 83 Cb 0.79 0.29 0.00 0.00 0.68 0.00 0.00 39.33 41.09 1j0q h ASP 83 CO -0.00 -0.16 0.00 0.54 -1.61 0.00 0.00 179.24 178.01