#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 -0.10 0.00 0.24 -1.26 -5.07 118.33 112.14 1j0q n VAL 4 Ca 0.00 -1.58 -0.23 0.00 -2.04 0.00 0.00 64.34 60.49 1j0q n VAL 4 Cb 0.00 1.09 -0.12 0.00 -1.47 0.00 0.00 33.84 33.35 1j0q n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1j0q n LYS 5 N -0.58 0.59 -3.33 7.34 5.02 -1.26 -5.04 118.16 120.90 1j0q n LYS 5 Ca -0.02 0.50 -0.27 0.00 -2.02 0.00 0.00 58.31 56.50 1j0q n LYS 5 Cb 0.61 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 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 -4.29 -2.87 -1.94 2.13 4.01 -1.26 -4.93 117.16 108.01 1j0q n TYR 6 Ca -0.35 1.18 -0.41 0.00 -0.16 0.00 0.00 57.90 58.15 1j0q n TYR 6 Cb 0.75 -2.68 -0.02 0.00 -0.31 0.00 0.00 39.34 37.08 1j0q n TYR 6 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1j0q s TYR 7 N -2.05 2.94 0.36 -0.72 6.14 0.22 -4.48 117.35 119.77 1j0q s TYR 7 Ca 0.28 0.96 -0.16 0.00 0.64 0.00 0.00 57.07 58.79 1j0q s TYR 7 Cb -0.04 -3.89 -0.09 0.00 0.42 0.00 0.00 41.96 38.35 1j0q s TYR 7 CO 0.84 -2.94 0.80 0.95 0.64 0.00 0.00 175.55 175.84 1j0q s THR 8 N -0.02 4.62 0.25 4.34 -4.23 -1.26 0.16 115.64 119.51 1j0q s THR 8 Ca 0.60 1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 62.13 1j0q s THR 8 Cb -0.44 -3.63 0.24 0.00 1.34 0.00 0.00 72.50 70.01 1j0q s THR 8 CO 0.45 -0.28 1.72 0.25 -0.54 0.00 0.00 174.62 176.22 1j0q h LEU 9 N 1.99 0.26 -0.95 4.79 6.46 -1.93 0.15 115.31 126.09 1j0q h LEU 9 Ca -0.48 0.12 0.15 0.00 -0.12 0.00 0.00 57.88 57.55 1j0q h LEU 9 Cb 1.18 0.11 -0.15 0.00 -0.73 0.00 0.00 40.66 41.06 1j0q h LEU 9 CO 0.64 0.07 -0.36 1.21 -0.62 0.00 0.00 178.44 179.38 1j0q n GLU 10 N -5.03 -0.21 0.12 1.25 4.07 -1.26 -0.47 120.64 119.11 1j0q n GLU 10 Ca 0.16 1.46 -0.13 0.00 -0.06 0.00 0.00 57.16 58.59 1j0q n GLU 10 Cb 0.47 -2.16 -0.08 0.00 -0.06 0.00 0.00 31.44 29.60 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 -0.31 -0.92 5.31 4.39 -1.54 -3.34 114.58 118.17 1j0q h GLU 11 Ca 0.34 0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.09 1j0q h GLU 11 Cb 0.58 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 1j0q h GLU 11 CO -0.94 0.03 0.60 0.82 -1.16 0.00 0.00 179.01 178.35 1j0q h ILE 12 N -0.71 1.15 -0.56 3.13 2.04 0.19 0.13 117.51 122.89 1j0q h ILE 12 Ca -0.03 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.51 1j0q h ILE 12 Cb 0.49 -0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 1j0q h ILE 12 CO 0.05 0.21 0.21 1.56 0.00 0.00 0.00 178.15 180.18 1j0q h GLN 13 N 1.16 0.38 -0.30 2.37 4.20 -1.03 -3.22 115.11 118.66 1j0q h GLN 13 Ca 0.37 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.90 1j0q h GLN 13 Cb 0.00 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1j0q h GLN 13 CO -0.12 0.25 -0.41 -0.22 -0.67 0.00 0.00 178.83 177.66 1j0q h LYS 14 N 0.39 0.74 -4.44 1.46 1.63 -0.87 -3.21 116.57 112.27 1j0q h LYS 14 Ca 0.27 -0.39 -0.65 0.00 -0.85 0.00 0.00 60.65 59.02 1j0q h LYS 14 Cb 0.31 0.01 0.04 0.00 -0.60 0.00 0.00 32.23 31.99 1j0q h LYS 14 CO -0.27 1.02 2.38 0.72 -3.45 0.00 0.00 179.45 179.85 1j0q n HIS 15 N -4.03 2.10 -2.50 1.91 8.25 -1.01 -4.34 115.22 115.59 1j0q n HIS 15 Ca -0.02 -1.95 0.02 0.00 -0.26 0.00 0.00 57.72 55.51 1j0q n HIS 15 Cb 0.54 -1.83 0.02 0.00 1.12 0.00 0.00 29.99 29.84 1j0q n HIS 15 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1j0q n ASN 16 N 7.44 0.79 -2.64 0.41 2.85 -0.99 -0.61 115.26 122.52 1j0q n ASN 16 Ca 0.50 -2.01 -0.04 0.00 -0.11 0.00 0.00 54.58 52.91 1j0q n ASN 16 Cb 0.40 -0.23 0.11 0.00 1.24 0.00 0.00 39.78 41.31 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 0.20 -1.61 0.00 1.20 5.15 0.27 -4.95 115.26 115.53 1j0q n ASN 17 Ca 0.01 -2.26 0.00 0.00 -0.60 0.00 0.00 54.58 51.73 1j0q n ASN 17 Cb 1.03 0.84 0.00 0.00 -0.53 0.00 0.00 39.78 41.12 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 -0.98 0.00 -0.16 1.20 2.88 -1.26 -4.55 113.62 110.75 1j0q n SER 18 Ca -0.11 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.40 1j0q n SER 18 Cb 0.84 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.27 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 -0.16 -3.99 -1.46 4.76 -1.26 -4.60 118.16 111.45 1j0q n LYS 19 Ca 0.00 0.57 -0.13 0.00 -2.87 0.00 0.00 58.31 55.88 1j0q n LYS 19 Cb 0.00 -0.84 -0.01 0.00 -1.84 0.00 0.00 35.03 32.34 1j0q n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1j0q s SER 20 N -5.18 0.72 -0.23 4.39 0.01 -1.26 -5.05 113.70 107.09 1j0q s SER 20 Ca -0.05 -1.44 -0.00 0.00 1.31 0.00 0.00 55.95 55.78 1j0q s SER 20 Cb 0.05 0.75 0.07 0.00 0.21 0.00 0.00 66.02 67.09 1j0q s SER 20 CO 0.24 -1.48 -0.01 -0.89 0.41 0.00 0.00 173.24 171.51 1j0q s THR 21 N -2.62 1.19 0.17 1.44 2.01 -1.25 -0.56 115.64 116.02 1j0q s THR 21 Ca 0.26 -1.08 0.05 0.00 0.31 0.00 0.00 61.69 61.23 1j0q s THR 21 Cb -0.02 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1j0q s THR 21 CO 0.19 -0.21 0.12 0.26 -0.69 0.00 0.00 174.62 174.29 1j0q s TRP 22 N 1.54 3.10 0.10 4.92 0.52 0.22 -1.30 118.94 128.05 1j0q s TRP 22 Ca -0.02 -0.04 -0.11 0.00 0.02 0.00 0.00 56.10 55.95 1j0q s TRP 22 Cb -0.18 -1.49 0.01 0.00 -1.15 0.00 0.00 33.47 30.66 1j0q s TRP 22 CO -0.09 0.52 0.26 -0.48 0.02 0.00 0.00 176.95 177.18 1j0q s LEU 23 N -3.13 1.10 -0.21 2.99 2.34 -0.12 0.11 118.68 121.77 1j0q s LEU 23 Ca 0.31 -0.55 -0.06 0.00 0.06 0.00 0.00 54.13 53.89 1j0q s LEU 23 Cb -0.10 1.29 -0.03 0.00 -0.56 0.00 0.00 46.19 46.79 1j0q s LEU 23 CO 0.23 -0.77 0.03 -0.63 -1.06 0.00 0.00 176.35 174.15 1j0q s ILE 24 N -3.84 4.22 -0.21 1.48 1.01 -0.25 -0.62 121.20 122.99 1j0q s ILE 24 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 1j0q s ILE 24 Cb 0.04 -2.92 0.06 0.00 0.01 0.00 0.00 42.46 39.64 1j0q s ILE 24 CO -0.11 0.41 -0.02 -0.76 0.00 0.00 0.00 174.94 174.46 1j0q s LEU 25 N 1.01 1.83 -1.26 2.97 1.02 -0.36 -0.54 118.68 123.36 1j0q s LEU 25 Ca 0.03 -0.95 -0.05 0.00 0.02 0.00 0.00 54.13 53.18 1j0q s LEU 25 Cb -0.14 -0.89 0.01 0.00 0.02 0.00 0.00 46.19 45.18 1j0q s LEU 25 CO 0.02 -0.26 1.08 1.41 0.02 0.00 0.00 176.35 178.62 1j0q n HIS 26 N 4.86 -2.51 0.00 0.29 8.25 -1.26 -3.07 115.22 121.78 1j0q n HIS 26 Ca -0.11 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.31 1j0q n HIS 26 Cb 0.46 -4.98 0.00 0.00 1.12 0.00 0.00 29.99 26.59 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 -4.55 0.00 -1.30 4.41 4.01 -1.26 -4.95 117.16 113.52 1j0q n TYR 27 Ca -0.12 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.29 1j0q n TYR 27 Cb 0.61 -0.05 0.10 0.00 -0.31 0.00 0.00 39.34 39.69 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 2.05 -0.09 -0.72 -0.14 -1.17 -0.64 119.74 119.03 1j0q s LYS 28 Ca 0.00 1.52 0.02 0.00 -1.36 0.00 0.00 55.97 56.15 1j0q s LYS 28 Cb 0.00 -1.85 -0.02 0.00 -1.68 0.00 0.00 37.83 34.29 1j0q s LYS 28 CO 0.00 -1.85 -0.16 0.08 -0.76 0.00 0.00 175.35 172.66 1j0q s VAL 29 N -2.39 2.86 -0.13 3.17 1.01 0.12 -1.23 120.40 123.81 1j0q s VAL 29 Ca 0.68 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1j0q s VAL 29 Cb -0.24 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1j0q s VAL 29 CO 0.49 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.64 1j0q s TYR 30 N -0.14 2.44 -0.10 5.22 1.51 0.21 -1.32 117.35 125.17 1j0q s TYR 30 Ca -0.02 -1.21 -0.12 0.00 -1.01 0.00 0.00 57.07 54.71 1j0q s TYR 30 Cb -0.14 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 1j0q s TYR 30 CO 0.04 -0.57 0.28 0.34 -1.11 0.00 0.00 175.55 174.53 1j0q s ASP 31 N 0.88 6.53 -0.01 2.29 -1.08 -0.39 -0.94 116.67 123.95 1j0q s ASP 31 Ca -0.07 0.63 0.01 0.00 -0.52 0.00 0.00 52.55 52.60 1j0q s ASP 31 Cb -0.15 -2.17 0.02 0.00 -1.46 0.00 0.00 42.92 39.16 1j0q s ASP 31 CO -0.02 0.26 0.79 0.18 0.52 0.00 0.00 175.17 176.90 1j0q n LEU 32 N 2.58 1.00 -0.21 -1.34 4.32 -0.42 -4.67 117.00 118.25 1j0q n LEU 32 Ca -0.15 -1.11 0.01 0.00 -0.02 0.00 0.00 56.01 54.75 1j0q n LEU 32 Cb 0.53 -0.03 0.11 0.00 -1.62 0.00 0.00 43.42 42.41 1j0q n LEU 32 CO 0.36 0.27 0.86 0.74 -1.22 0.00 0.00 177.39 178.40 1j0q h THR 33 N 1.80 0.52 0.00 -5.08 2.02 -1.95 0.44 112.91 110.66 1j0q h THR 33 Ca 0.00 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 1j0q h THR 33 Cb 0.81 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1j0q h THR 33 CO 0.00 0.03 -0.37 0.50 0.37 0.00 0.00 175.52 176.05 1j0q h LYS 34 N 0.15 0.00 0.00 6.66 3.11 -1.95 -3.16 116.57 121.38 1j0q h LYS 34 Ca 0.33 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 58.01 1j0q h LYS 34 Cb 0.53 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 1j0q h LYS 34 CO -0.50 0.37 -0.86 0.35 -2.81 0.00 0.00 179.45 176.00 1j0q h PHE 35 N 0.00 0.00 -0.77 1.91 3.57 -0.64 -3.34 116.94 117.68 1j0q h PHE 35 Ca -0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.65 1j0q h PHE 35 Cb 0.74 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.34 1j0q h PHE 35 CO 0.00 0.68 -0.17 1.28 -2.23 0.00 0.00 178.31 177.86 1j0q n LEU 36 N -3.19 -0.26 -0.04 0.59 4.77 0.32 0.31 117.00 119.49 1j0q n LEU 36 Ca -0.02 1.32 -0.08 0.00 -0.03 0.00 0.00 56.01 57.20 1j0q n LEU 36 Cb 0.83 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1j0q n LEU 36 CO 0.43 -1.27 0.77 -0.33 -1.33 0.00 0.00 177.39 175.66 1j0q h GLU 37 N 0.00 -0.11 0.09 3.23 4.39 -1.78 -3.30 114.58 117.10 1j0q h GLU 37 Ca 0.38 0.01 -0.29 0.00 0.34 0.00 0.00 59.36 59.80 1j0q h GLU 37 Cb 0.59 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1j0q h GLU 37 CO -0.78 -0.07 -1.44 0.93 -1.16 0.00 0.00 179.01 176.48 1j0q h GLU 38 N -0.12 0.19 -6.06 2.33 5.08 -0.36 -3.48 114.58 112.18 1j0q h GLU 38 Ca 0.12 -0.33 -0.76 0.00 -1.00 0.00 0.00 59.36 57.40 1j0q h GLU 38 Cb 0.29 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1j0q h GLU 38 CO -0.28 1.05 1.06 1.58 -1.00 0.00 0.00 179.01 181.41 1j0q n HIS 39 N -3.40 1.73 -0.89 4.33 -0.00 0.64 -4.82 115.22 112.81 1j0q n HIS 39 Ca -0.13 0.64 -0.41 0.00 0.46 0.00 0.00 57.72 58.28 1j0q n HIS 39 Cb 1.03 -2.40 -0.10 0.00 -0.12 0.00 0.00 29.99 28.40 1j0q n HIS 39 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1j0q n PRO 40 N 6.18 0.55 0.00 1.57 -0.02 -1.26 -0.39 135.00 141.62 1j0q n PRO 40 Ca 0.36 -1.40 0.00 0.00 -2.02 0.00 0.00 63.50 60.44 1j0q n PRO 40 Cb 0.08 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 30.73 1j0q n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j0q n GLY 41 N 5.01 1.28 6.07 -1.23 0.00 -1.26 -5.17 105.19 109.89 1j0q n GLY 41 Ca 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 -1.98 0.03 -0.02 0.00 0.48 -4.64 105.19 99.05 1j0q n GLY 42 Ca 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.68 1.61 4.57 -1.90 -3.38 114.58 114.80 1j0q h GLU 43 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1j0q h GLU 43 Cb 0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.53 1j0q h GLU 43 CO 0.00 0.00 -0.40 0.39 -1.18 0.00 0.00 179.01 177.82 1j0q n GLU 44 N -3.21 -0.30 0.01 1.92 1.02 -1.26 0.72 120.64 119.53 1j0q n GLU 44 Ca -0.02 1.18 0.06 0.00 -0.02 0.00 0.00 57.16 58.35 1j0q n GLU 44 Cb 0.08 -1.73 0.46 0.00 -0.02 0.00 0.00 31.44 30.22 1j0q n GLU 44 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1j0q h VAL 45 N 0.00 1.06 -0.16 2.62 3.04 -1.84 -0.49 116.25 120.48 1j0q h VAL 45 Ca 0.11 -0.16 -0.05 0.00 -1.01 0.00 0.00 66.70 65.58 1j0q h VAL 45 Cb 0.28 0.53 -0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1j0q h VAL 45 CO -0.64 0.09 -0.10 0.25 -1.01 0.00 0.00 177.57 176.16 1j0q h LEU 46 N 0.48 0.36 -0.68 3.16 5.85 0.12 -3.31 115.31 121.30 1j0q h LEU 46 Ca 0.16 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1j0q h LEU 46 Cb 0.06 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1j0q h LEU 46 CO -0.04 0.72 0.43 -0.09 -0.34 0.00 0.00 178.44 179.12 1j0q h ARG 47 N 0.01 0.83 -0.83 1.25 2.43 0.95 0.29 114.38 119.30 1j0q h ARG 47 Ca 0.03 -0.05 0.24 0.00 -0.81 0.00 0.00 59.98 59.39 1j0q h ARG 47 Cb 0.59 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1j0q h ARG 47 CO 0.03 0.55 0.74 1.49 -1.51 0.00 0.00 179.97 181.27 1j0q h GLU 48 N 0.85 0.00 0.00 0.20 4.57 -1.24 -2.07 114.58 116.89 1j0q h GLU 48 Ca 0.27 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.25 1j0q h GLU 48 Cb -0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1j0q h GLU 48 CO -0.09 0.00 -1.81 1.04 -1.18 0.00 0.00 179.01 176.97 1j0q n GLN 49 N -3.83 1.83 -0.59 1.92 1.13 0.00 -5.03 117.38 112.82 1j0q n GLN 49 Ca 0.17 -0.02 -0.30 0.00 -1.94 0.00 0.00 57.00 54.91 1j0q n GLN 49 Cb 1.03 -1.31 0.21 0.00 0.11 0.00 0.00 30.24 30.28 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 -2.40 -3.35 -4.31 -1.58 0.00 0.80 -3.01 120.51 106.66 1j0q n ALA 50 Ca -0.18 -1.17 -0.33 0.00 0.00 0.00 0.00 53.44 51.76 1j0q n ALA 50 Cb 0.84 -1.79 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 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 1.45 -0.20 0.00 0.00 0.00 0.12 -4.89 105.19 101.66 1j0q n GLY 51 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.17 -0.05 3.72 -0.02 0.00 -1.17 -4.26 105.19 101.25 1j0q n GLY 52 Ca -0.22 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 7.06 -0.08 1.61 -1.08 -1.26 -1.10 116.67 121.82 1j0q s ASP 53 Ca 0.00 2.07 0.19 0.00 -0.52 0.00 0.00 52.55 54.30 1j0q s ASP 53 Cb 0.00 -2.58 0.41 0.00 -1.46 0.00 0.00 42.92 39.29 1j0q s ASP 53 CO 0.00 -0.47 1.18 0.00 0.52 0.00 0.00 175.17 176.40 1j0q n ALA 54 N 3.74 2.84 0.19 3.66 0.00 0.30 -4.86 120.51 126.39 1j0q n ALA 54 Ca 0.09 -2.67 -0.15 0.00 0.00 0.00 0.00 53.44 50.70 1j0q n ALA 54 Cb 0.46 -0.58 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 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 4.57 0.70 0.53 0.00 2.02 -1.91 0.70 112.91 119.53 1j0q h THR 55 Ca -0.13 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1j0q h THR 55 Cb 1.52 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1j0q h THR 55 CO 0.06 0.01 -0.42 -0.33 0.37 0.00 0.00 175.52 175.20 1j0q h GLU 56 N -0.44 -0.90 -0.51 6.66 5.08 -1.92 -1.08 114.58 121.46 1j0q h GLU 56 Ca -0.04 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1j0q h GLU 56 Cb 0.34 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 1j0q h GLU 56 CO 0.07 -0.60 -0.18 -0.97 -1.00 0.00 0.00 179.01 176.33 1j0q h ASN 57 N -0.94 -0.63 -0.12 1.42 -0.73 -1.91 0.19 115.58 112.86 1j0q h ASN 57 Ca -0.06 0.17 0.04 0.00 1.87 0.00 0.00 56.30 58.32 1j0q h ASN 57 Cb 0.80 0.38 -0.05 0.00 0.27 0.00 0.00 38.32 39.71 1j0q h ASN 57 CO -0.00 -0.21 -0.19 0.15 -0.37 0.00 0.00 177.43 176.80 1j0q h PHE 58 N -0.06 -0.50 0.21 0.67 3.57 -0.63 -1.50 116.94 118.70 1j0q h PHE 58 Ca 0.24 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1j0q h PHE 58 Cb 0.43 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1j0q h PHE 58 CO -0.47 -0.27 -0.10 1.49 -2.23 0.00 0.00 178.31 176.72 1j0q h GLU 59 N -0.25 -0.27 -0.96 1.11 4.57 -0.11 -3.18 114.58 115.49 1j0q h GLU 59 Ca 0.09 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.45 1j0q h GLU 59 Cb 0.39 0.06 -0.16 0.00 -0.16 0.00 0.00 28.75 28.88 1j0q h GLU 59 CO -0.26 0.08 -0.36 -3.47 -1.18 0.00 0.00 179.01 173.81 1j0q n ASP 60 N -5.04 -0.60 -0.33 1.04 2.03 0.57 0.40 116.55 114.61 1j0q n ASP 60 Ca -0.09 1.68 0.13 0.00 0.52 0.00 0.00 54.79 57.03 1j0q n ASP 60 Cb 0.25 -0.40 0.35 0.00 -0.72 0.00 0.00 41.12 40.60 1j0q n ASP 60 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1j0q h HIS 61 N 0.00 0.98 -0.66 -0.67 2.76 -1.31 -3.47 115.15 112.80 1j0q h HIS 61 Ca 0.35 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1j0q h HIS 61 Cb 0.59 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1j0q h HIS 61 CO -0.83 0.25 0.00 0.41 -1.30 0.00 0.00 177.93 176.45 1j0q n GLY 62 N -1.37 0.54 3.69 5.26 0.00 0.16 -5.03 105.19 108.45 1j0q n GLY 62 Ca 0.22 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.78 2.56 1.20 1.61 3.76 -1.20 -4.97 115.29 116.48 1j0q s HIS 63 Ca 0.00 0.44 -0.20 0.00 -0.15 0.00 0.00 55.06 55.15 1j0q s HIS 63 Cb 0.00 -3.91 0.29 0.00 1.11 0.00 0.00 32.58 30.07 1j0q s HIS 63 CO 0.00 -3.58 1.14 0.45 -0.85 0.00 0.00 174.74 171.91 1j0q s SER 64 N 2.18 0.95 0.25 1.40 0.15 -1.26 -4.68 113.70 112.69 1j0q s SER 64 Ca 0.72 0.50 -0.04 0.00 0.70 0.00 0.00 55.95 57.82 1j0q s SER 64 Cb -0.39 -0.64 0.39 0.00 -1.71 0.00 0.00 66.02 63.67 1j0q s SER 64 CO 0.31 -4.09 1.82 0.00 1.20 0.00 0.00 173.24 172.48 1j0q h THR 65 N -2.56 0.95 -0.20 6.45 1.03 -1.98 0.11 112.91 116.70 1j0q h THR 65 Ca -0.43 -0.29 0.05 0.00 -0.01 0.00 0.00 66.41 65.72 1j0q h THR 65 Cb 1.28 0.02 -0.07 0.00 -1.07 0.00 0.00 68.15 68.30 1j0q h THR 65 CO 0.31 0.16 -0.43 0.44 -0.01 0.00 0.00 175.52 175.98 1j0q h ASP 66 N 0.86 -1.38 -0.75 0.00 5.19 -1.99 0.27 116.42 118.62 1j0q h ASP 66 Ca 0.40 0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.95 1j0q h ASP 66 Cb 0.32 0.57 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 1j0q h ASP 66 CO -0.23 -0.42 0.28 0.00 -3.12 0.00 0.00 179.24 175.76 1j0q h ALA 67 N 0.17 0.98 0.77 3.45 0.00 -1.77 -0.51 119.26 122.35 1j0q h ALA 67 Ca 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1j0q h ALA 67 Cb 0.62 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1j0q h ALA 67 CO -0.45 0.63 -0.44 0.00 0.00 0.00 0.00 179.25 178.99 1j0q h ARG 68 N 1.10 -1.08 -0.61 0.00 -0.00 -0.03 0.32 114.38 114.08 1j0q h ARG 68 Ca 0.25 0.07 0.09 0.00 -0.50 0.00 0.00 59.98 59.89 1j0q h ARG 68 Cb 0.25 0.25 -0.11 0.00 0.00 0.00 0.00 29.97 30.35 1j0q h ARG 68 CO -0.02 -0.72 -0.43 1.49 0.00 0.00 0.00 179.97 180.30 1j0q h GLU 69 N -1.13 -0.20 -0.83 0.04 4.22 -0.33 -0.09 114.58 116.27 1j0q h GLU 69 Ca -0.10 0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.52 1j0q h GLU 69 Cb 0.89 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.08 1j0q h GLU 69 CO 0.12 -0.13 0.36 -0.07 -2.18 0.00 0.00 179.01 177.11 1j0q h LEU 70 N -0.21 0.35 -1.10 1.64 -0.00 -0.84 0.11 115.31 115.26 1j0q h LEU 70 Ca 0.19 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 58.17 1j0q h LEU 70 Cb 0.56 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.27 1j0q h LEU 70 CO -0.70 0.10 0.36 0.77 -0.00 0.00 0.00 178.44 178.96 1j0q h SER 71 N 0.47 0.88 0.04 -0.43 4.64 0.15 0.64 113.55 119.94 1j0q h SER 71 Ca 0.48 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1j0q h SER 71 Cb 0.78 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1j0q h SER 71 CO -0.44 0.73 -0.04 0.11 -0.87 0.00 0.00 176.83 176.33 1j0q h LYS 72 N 0.99 -0.09 0.00 4.77 1.57 0.05 -1.39 116.57 122.47 1j0q h LYS 72 Ca 0.25 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1j0q h LYS 72 Cb 0.07 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1j0q h LYS 72 CO -0.04 -0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.79 1j0q h THR 73 N -0.09 0.00 0.00 -0.16 1.03 -0.95 -2.23 112.91 110.51 1j0q h THR 73 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 66.00 1j0q h THR 73 Cb 0.09 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1j0q h THR 73 CO -0.01 0.00 -0.26 0.49 -0.01 0.00 0.00 175.52 175.73 1j0q n PHE 74 N -2.71 0.70 -1.68 0.00 3.72 0.14 -4.89 117.46 112.74 1j0q n PHE 74 Ca 0.01 0.20 -0.46 0.00 -0.05 0.00 0.00 57.45 57.16 1j0q n PHE 74 Cb 0.28 -0.78 -0.04 0.00 -0.94 0.00 0.00 39.48 38.00 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 -2.13 0.26 0.00 4.37 5.41 -0.61 -1.26 119.36 125.41 1j0q n ILE 75 Ca 0.05 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1j0q n ILE 75 Cb 0.42 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 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 4.24 0.00 -3.89 1.39 -5.35 -0.43 -4.92 119.36 110.40 1j0q n ILE 76 Ca 0.19 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1j0q n ILE 76 Cb 0.31 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 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 0.79 -0.92 3.17 3.28 0.00 -1.23 -4.91 105.19 105.37 1j0q n GLY 77 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.77 0.91 0.18 1.61 8.01 -1.26 -0.70 118.70 125.68 1j0q s GLU 78 Ca 0.00 -1.41 -0.32 0.00 0.01 0.00 0.00 54.97 53.25 1j0q s GLU 78 Cb 0.00 -0.02 -0.11 0.00 -4.31 0.00 0.00 34.13 29.69 1j0q s GLU 78 CO 0.00 -0.14 1.67 -1.17 0.01 0.00 0.00 175.26 175.62 1j0q s LEU 79 N -3.06 4.37 -0.34 1.80 2.96 0.19 0.73 118.68 125.34 1j0q s LEU 79 Ca 0.19 2.76 -0.29 0.00 -0.22 0.00 0.00 54.13 56.56 1j0q s LEU 79 Cb 0.07 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.16 1j0q s LEU 79 CO -0.01 -0.92 1.49 -2.28 -1.32 0.00 0.00 176.35 173.31 1j0q s HIS 80 N 1.27 2.32 0.34 5.38 5.65 0.12 -4.73 115.29 125.64 1j0q s HIS 80 Ca 0.73 0.68 0.24 0.00 0.25 0.00 0.00 55.06 56.96 1j0q s HIS 80 Cb -0.47 -4.13 1.30 0.00 -1.18 0.00 0.00 32.58 28.10 1j0q s HIS 80 CO 0.32 -2.26 1.70 -1.35 -0.65 0.00 0.00 174.74 172.50 1j0q h PRO 81 N 10.72 0.00 -0.97 2.88 0.11 -1.93 0.50 132.00 143.30 1j0q h PRO 81 Ca -0.29 0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.06 1j0q h PRO 81 Cb 1.12 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1j0q h PRO 81 CO 1.05 0.00 0.65 0.22 -0.21 0.00 0.00 178.00 179.70 1j0q h ASP 82 N 0.00 0.37 -0.16 -2.05 3.58 -1.99 -2.66 116.42 113.51 1j0q h ASP 82 Ca 0.00 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.52 1j0q h ASP 82 Cb 0.53 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1j0q h ASP 82 CO 0.00 0.11 -0.09 -0.67 -2.88 0.00 0.00 179.24 175.71 1j0q n ASP 83 N -4.52 -0.16 -0.42 2.28 -0.08 0.16 -5.19 116.55 108.63 1j0q n ASP 83 Ca 0.22 1.06 0.14 0.00 -1.51 0.00 0.00 54.79 54.70 1j0q n ASP 83 Cb 0.82 -0.43 0.58 0.00 2.34 0.00 0.00 41.12 44.43 1j0q n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21