#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 -0.07 0.00 0.31 -1.26 -5.05 118.33 112.26 1j0q n VAL 4 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1j0q n VAL 4 Cb 0.00 -0.12 -0.05 0.00 -0.91 0.00 0.00 33.84 32.76 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 0.34 -1.37 5.55 5.02 -1.26 -5.15 118.16 121.29 1j0q n LYS 5 Ca 0.00 0.14 0.09 0.00 -2.02 0.00 0.00 58.31 56.53 1j0q n LYS 5 Cb 0.00 -1.07 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 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 -3.82 -3.70 -3.82 2.13 4.01 -1.26 -5.02 117.16 105.68 1j0q n TYR 6 Ca -0.26 2.03 -0.13 0.00 -0.16 0.00 0.00 57.90 59.38 1j0q n TYR 6 Cb 0.62 -3.28 -0.14 0.00 -0.31 0.00 0.00 39.34 36.23 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 -4.65 -0.02 0.25 -0.72 1.51 0.64 -4.79 117.35 109.57 1j0q s TYR 7 Ca 0.00 0.13 -0.06 0.00 -1.01 0.00 0.00 57.07 56.13 1j0q s TYR 7 Cb 0.00 -0.07 -0.06 0.00 -0.11 0.00 0.00 41.96 41.72 1j0q s TYR 7 CO 0.00 -0.05 0.53 0.95 -1.11 0.00 0.00 175.55 175.87 1j0q s THR 8 N 0.44 5.02 0.28 -0.71 -4.23 -1.26 -0.40 115.64 114.77 1j0q s THR 8 Ca -0.04 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1j0q s THR 8 Cb -0.05 -3.69 0.28 0.00 1.34 0.00 0.00 72.50 70.38 1j0q s THR 8 CO -0.01 -0.20 1.84 0.25 -0.54 0.00 0.00 174.62 175.95 1j0q h LEU 9 N 2.07 0.92 -0.68 4.79 6.46 -1.94 0.70 115.31 127.63 1j0q h LEU 9 Ca -0.47 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.40 1j0q h LEU 9 Cb 1.18 -0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.89 1j0q h LEU 9 CO 0.68 0.49 -0.40 1.21 -0.62 0.00 0.00 178.44 179.80 1j0q n GLU 10 N -4.62 -0.30 0.01 1.25 4.07 -1.26 -0.69 120.64 119.09 1j0q n GLU 10 Ca 0.19 1.13 -0.12 0.00 -0.06 0.00 0.00 57.16 58.29 1j0q n GLU 10 Cb 0.34 -1.67 -0.08 0.00 -0.06 0.00 0.00 31.44 29.97 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 0.02 -0.98 5.31 4.39 -1.60 -3.29 114.58 118.42 1j0q h GLU 11 Ca 0.11 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1j0q h GLU 11 Cb 0.28 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 1j0q h GLU 11 CO -0.64 0.26 0.63 0.82 -1.16 0.00 0.00 179.01 178.92 1j0q h ILE 12 N -0.23 1.26 -0.51 3.13 2.04 0.10 0.19 117.51 123.50 1j0q h ILE 12 Ca 0.00 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.45 1j0q h ILE 12 Cb 0.25 -0.17 -0.08 0.00 -0.74 0.00 0.00 36.82 36.09 1j0q h ILE 12 CO 0.00 0.26 0.07 1.56 0.00 0.00 0.00 178.15 180.03 1j0q h GLN 13 N 1.34 0.19 -0.27 2.37 4.20 -1.01 -3.10 115.11 118.82 1j0q h GLN 13 Ca 0.36 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.89 1j0q h GLN 13 Cb -0.12 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1j0q h GLN 13 CO -0.07 0.12 -0.50 -0.22 -0.67 0.00 0.00 178.83 177.50 1j0q h LYS 14 N 0.19 0.76 -3.91 1.46 1.63 -0.78 -3.29 116.57 112.64 1j0q h LYS 14 Ca 0.26 -0.45 -0.60 0.00 -0.85 0.00 0.00 60.65 59.01 1j0q h LYS 14 Cb 0.37 0.04 0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1j0q h LYS 14 CO -0.37 1.07 2.78 0.72 -3.45 0.00 0.00 179.45 180.21 1j0q n HIS 15 N -4.01 2.20 -2.44 1.91 8.25 -0.12 -3.64 115.22 117.37 1j0q n HIS 15 Ca -0.03 -2.29 0.01 0.00 -0.26 0.00 0.00 57.72 55.15 1j0q n HIS 15 Cb 0.59 -2.00 0.01 0.00 1.12 0.00 0.00 29.99 29.71 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 5.81 0.55 -0.26 0.41 2.85 -1.12 -0.39 115.26 123.11 1j0q n ASN 16 Ca 0.53 -2.01 0.09 0.00 -0.11 0.00 0.00 54.58 53.07 1j0q n ASN 16 Cb 0.31 -0.16 0.16 0.00 1.24 0.00 0.00 39.78 41.34 1j0q n ASN 16 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1j0q n ASN 17 N 0.18 2.12 -2.32 1.20 6.94 -1.05 -4.95 115.26 117.38 1j0q n ASN 17 Ca -0.02 -3.38 -0.09 0.00 -0.02 0.00 0.00 54.58 51.08 1j0q n ASN 17 Cb 1.00 -0.46 0.04 0.00 -2.36 0.00 0.00 39.78 38.00 1j0q n ASN 17 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1j0q n SER 18 N -1.32 -2.78 0.14 0.53 7.64 -1.26 -4.81 113.62 111.76 1j0q n SER 18 Ca 0.17 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1j0q n SER 18 Cb 0.66 -2.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.91 1j0q n SER 18 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1j0q n LYS 19 N -2.57 0.00 -4.11 1.43 4.76 -1.26 -5.09 118.16 111.32 1j0q n LYS 19 Ca -0.12 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.18 1j0q n LYS 19 Cb 0.58 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.64 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 -2.00 0.77 -0.32 4.39 0.01 -1.26 -4.99 113.70 110.30 1j0q s SER 20 Ca 0.00 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1j0q s SER 20 Cb 0.00 -0.01 0.09 0.00 0.21 0.00 0.00 66.02 66.31 1j0q s SER 20 CO 0.00 -0.09 0.03 -0.89 0.41 0.00 0.00 173.24 172.70 1j0q s THR 21 N -0.86 2.09 0.14 1.44 2.01 -1.25 -2.51 115.64 116.69 1j0q s THR 21 Ca -0.05 -2.10 -0.02 0.00 0.31 0.00 0.00 61.69 59.82 1j0q s THR 21 Cb -0.07 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1j0q s THR 21 CO 0.00 -0.51 0.35 0.26 -0.69 0.00 0.00 174.62 174.03 1j0q s TRP 22 N 1.02 3.49 0.07 4.92 0.52 0.48 -1.16 118.94 128.27 1j0q s TRP 22 Ca 0.07 0.42 -0.13 0.00 0.02 0.00 0.00 56.10 56.48 1j0q s TRP 22 Cb -0.19 -1.90 0.02 0.00 -1.15 0.00 0.00 33.47 30.24 1j0q s TRP 22 CO -0.09 0.45 0.30 -0.48 0.02 0.00 0.00 176.95 177.15 1j0q s LEU 23 N -2.83 0.89 -0.23 2.99 0.05 0.02 -0.09 118.68 119.48 1j0q s LEU 23 Ca 0.39 -0.31 -0.13 0.00 0.05 0.00 0.00 54.13 54.13 1j0q s LEU 23 Cb -0.12 1.40 -0.04 0.00 -2.05 0.00 0.00 46.19 45.37 1j0q s LEU 23 CO 0.27 -0.69 0.27 -0.63 -0.55 0.00 0.00 176.35 175.02 1j0q s ILE 24 N -3.09 5.28 -0.15 1.48 1.01 -0.44 -1.11 121.20 124.18 1j0q s ILE 24 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1j0q s ILE 24 Cb 0.01 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.90 1j0q s ILE 24 CO -0.07 0.29 -0.15 -0.76 0.00 0.00 0.00 174.94 174.25 1j0q s LEU 25 N 1.26 1.75 -1.42 2.97 1.02 -0.39 -0.52 118.68 123.36 1j0q s LEU 25 Ca 0.12 -0.51 -0.10 0.00 0.02 0.00 0.00 54.13 53.66 1j0q s LEU 25 Cb -0.14 -1.22 0.04 0.00 0.02 0.00 0.00 46.19 44.88 1j0q s LEU 25 CO 0.06 -0.05 1.10 1.41 0.02 0.00 0.00 176.35 178.89 1j0q n HIS 26 N 4.75 -2.63 -2.95 0.29 8.25 -1.26 -0.85 115.22 120.82 1j0q n HIS 26 Ca -0.18 0.97 -0.19 0.00 -0.26 0.00 0.00 57.72 58.07 1j0q n HIS 26 Cb 0.50 -4.64 0.00 0.00 1.12 0.00 0.00 29.99 26.97 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 -4.85 -1.67 -4.43 4.41 4.02 -1.26 -4.99 117.16 108.40 1j0q n TYR 27 Ca 0.00 0.30 -0.21 0.00 -0.01 0.00 0.00 57.90 57.98 1j0q n TYR 27 Cb 0.55 -3.17 -0.10 0.00 -0.02 0.00 0.00 39.34 36.60 1j0q n TYR 27 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1j0q s LYS 28 N -5.58 1.54 -0.03 -0.72 -0.14 -0.03 -4.08 119.74 110.71 1j0q s LYS 28 Ca 0.23 -1.76 0.07 0.00 -1.36 0.00 0.00 55.97 53.15 1j0q s LYS 28 Cb -0.12 -1.24 -0.02 0.00 -1.68 0.00 0.00 37.83 34.77 1j0q s LYS 28 CO 0.28 0.09 -0.25 0.08 -0.76 0.00 0.00 175.35 174.79 1j0q s VAL 29 N -2.93 2.07 -0.08 3.17 1.01 -0.00 -1.26 120.40 122.38 1j0q s VAL 29 Ca 0.29 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1j0q s VAL 29 Cb 0.02 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1j0q s VAL 29 CO 0.12 0.58 -0.04 -0.31 0.00 0.00 0.00 175.10 175.45 1j0q s TYR 30 N -0.49 0.99 -0.14 5.22 1.51 -0.27 -1.18 117.35 123.00 1j0q s TYR 30 Ca 0.06 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.64 1j0q s TYR 30 Cb -0.11 -0.94 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 1j0q s TYR 30 CO 0.00 -0.37 0.20 0.34 -1.11 0.00 0.00 175.55 174.61 1j0q s ASP 31 N 1.67 6.40 -0.06 2.29 -1.08 -1.00 -0.80 116.67 124.09 1j0q s ASP 31 Ca 0.02 0.47 -0.09 0.00 -0.52 0.00 0.00 52.55 52.42 1j0q s ASP 31 Cb -0.13 -2.12 -0.03 0.00 -1.46 0.00 0.00 42.92 39.18 1j0q s ASP 31 CO -0.05 0.27 -0.18 0.18 0.52 0.00 0.00 175.17 175.91 1j0q n LEU 32 N 2.72 1.42 0.00 -1.34 4.77 -0.31 -4.80 117.00 119.46 1j0q n LEU 32 Ca -0.17 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1j0q n LEU 32 Cb 0.53 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1j0q n LEU 32 CO 0.35 -0.47 0.00 0.41 -1.33 0.00 0.00 177.39 176.35 1j0q n THR 33 N -3.89 0.00 -0.09 -5.08 -1.04 -1.26 -0.80 114.28 102.12 1j0q n THR 33 Ca -0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 1j0q n THR 33 Cb 0.27 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.74 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 0.71 0.00 -2.82 1.57 -1.97 -3.31 116.57 110.76 1j0q h LYS 34 Ca 0.00 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1j0q h LYS 34 Cb 0.00 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1j0q h LYS 34 CO 0.00 1.00 -0.14 0.35 -0.57 0.00 0.00 179.45 180.09 1j0q h PHE 35 N 0.46 0.00 -0.97 -1.35 3.57 -1.35 -0.51 116.94 116.79 1j0q h PHE 35 Ca 0.04 0.00 0.36 0.00 3.53 0.00 0.00 57.97 61.90 1j0q h PHE 35 Cb 0.87 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.43 1j0q h PHE 35 CO 0.07 0.14 0.35 1.28 -2.23 0.00 0.00 178.31 177.92 1j0q n LEU 36 N -3.90 0.18 0.03 0.59 4.77 -1.25 -0.14 117.00 117.28 1j0q n LEU 36 Ca -0.02 1.62 -0.11 0.00 -0.03 0.00 0.00 56.01 57.47 1j0q n LEU 36 Cb 0.23 -0.72 -0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1j0q n LEU 36 CO 0.32 -1.76 0.41 -0.08 -1.33 0.00 0.00 177.39 174.96 1j0q h GLU 37 N 0.00 -0.15 -0.85 3.23 4.22 -1.31 -2.71 114.58 117.01 1j0q h GLU 37 Ca 0.74 0.01 0.01 0.00 0.08 0.00 0.00 59.36 60.21 1j0q h GLU 37 Cb 1.84 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 31.08 1j0q h GLU 37 CO -0.80 0.33 0.56 1.49 -2.18 0.00 0.00 179.01 178.41 1j0q h GLU 38 N -0.84 1.10 -6.37 1.92 4.81 -1.34 -3.45 114.58 110.41 1j0q h GLU 38 Ca -0.02 -0.07 -0.58 0.00 -0.13 0.00 0.00 59.36 58.57 1j0q h GLU 38 Cb 0.56 -0.25 0.03 0.00 0.63 0.00 0.00 28.75 29.72 1j0q h GLU 38 CO 0.03 0.73 1.07 1.58 -0.73 0.00 0.00 179.01 181.69 1j0q n HIS 39 N -4.51 2.41 -0.34 0.92 -0.00 0.80 -4.90 115.22 109.60 1j0q n HIS 39 Ca 0.09 -0.05 0.16 0.00 0.46 0.00 0.00 57.72 58.39 1j0q n HIS 39 Cb 0.03 -2.68 0.38 0.00 -0.12 0.00 0.00 29.99 27.60 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 8.72 0.63 0.00 1.57 0.11 -1.90 0.19 132.00 141.32 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 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j0q h PRO 40 CO 0.94 0.42 -0.02 0.78 -0.21 0.00 0.00 178.00 179.91 1j0q h GLY 41 N 0.65 0.00 0.00 -0.55 0.00 -1.95 -3.49 103.07 97.72 1j0q h GLY 41 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1j0q h GLY 41 CO -0.36 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.79 1j0q n GLY 42 N -1.07 -0.78 0.16 4.60 0.00 0.67 -4.42 105.19 104.35 1j0q n GLY 42 Ca -0.03 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.28 -0.73 1.61 4.22 -1.75 -3.33 114.58 114.32 1j0q h GLU 43 Ca 0.00 0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.54 1j0q h GLU 43 Cb 0.00 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.20 1j0q h GLU 43 CO 0.00 0.10 -0.53 0.93 -2.18 0.00 0.00 179.01 177.33 1j0q h GLU 44 N -0.80 -0.17 -0.58 1.92 5.08 -1.90 0.28 114.58 118.41 1j0q h GLU 44 Ca -0.03 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1j0q h GLU 44 Cb 0.51 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1j0q h GLU 44 CO 0.05 -0.11 0.16 -0.24 -1.00 0.00 0.00 179.01 177.87 1j0q h VAL 45 N -0.17 1.23 -0.41 3.13 3.04 -1.77 0.16 116.25 121.46 1j0q h VAL 45 Ca 0.15 -0.81 -0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1j0q h VAL 45 Cb 0.52 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 1j0q h VAL 45 CO -0.78 0.31 0.24 -0.07 -1.01 0.00 0.00 177.57 176.25 1j0q h LEU 46 N 0.86 0.50 -0.25 3.16 3.38 -1.10 -3.08 115.31 118.78 1j0q h LEU 46 Ca 0.19 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1j0q h LEU 46 Cb 0.28 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1j0q h LEU 46 CO -0.00 0.43 -0.73 -0.09 0.09 0.00 0.00 178.44 178.13 1j0q h ARG 47 N 0.54 0.72 -0.82 1.13 2.43 0.87 0.44 114.38 119.68 1j0q h ARG 47 Ca 0.15 -0.56 0.20 0.00 -0.81 0.00 0.00 59.98 58.96 1j0q h ARG 47 Cb 0.02 0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 29.54 1j0q h ARG 47 CO -0.03 1.18 0.09 1.49 -1.51 0.00 0.00 179.97 181.19 1j0q h GLU 48 N 0.50 0.13 0.00 0.20 4.81 -0.82 -2.49 114.58 116.92 1j0q h GLU 48 Ca -0.04 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 58.96 1j0q h GLU 48 Cb 1.34 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 1j0q h GLU 48 CO 0.15 0.09 -1.24 0.37 -0.73 0.00 0.00 179.01 177.64 1j0q h GLN 49 N 0.14 0.00 -7.25 1.92 5.75 -1.18 -3.48 115.11 111.00 1j0q h GLN 49 Ca 0.48 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 58.45 1j0q h GLN 49 Cb 0.90 0.00 0.17 0.00 1.07 0.00 0.00 27.48 29.62 1j0q h GLN 49 CO -0.68 0.69 0.29 0.00 -2.65 0.00 0.00 178.83 176.48 1j0q s ALA 50 N -2.72 1.85 -1.35 3.38 0.00 0.14 -3.05 121.76 120.01 1j0q s ALA 50 Ca -0.01 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 1j0q s ALA 50 Cb 0.09 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 1j0q s ALA 50 CO 0.81 -2.26 0.51 0.41 0.00 0.00 0.00 175.76 175.23 1j0q n GLY 51 N -0.07 -0.36 0.00 0.00 0.00 0.87 -4.96 105.19 100.68 1j0q n GLY 51 Ca 0.12 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.90 0.76 3.75 -0.02 0.00 -1.17 -4.32 105.19 102.29 1j0q n GLY 52 Ca -0.27 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.15 6.99 -0.02 1.61 2.15 -1.26 -1.33 116.67 124.66 1j0q s ASP 53 Ca 0.00 2.42 0.03 0.00 0.43 0.00 0.00 52.55 55.42 1j0q s ASP 53 Cb 0.00 -2.62 0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1j0q s ASP 53 CO 0.00 -0.41 0.86 0.00 -0.17 0.00 0.00 175.17 175.45 1j0q n ALA 54 N 1.77 1.71 0.13 3.66 0.00 0.33 -4.81 120.51 123.30 1j0q n ALA 54 Ca 0.02 -1.05 -0.13 0.00 0.00 0.00 0.00 53.44 52.28 1j0q n ALA 54 Cb 0.43 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 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 1.63 0.69 0.15 0.00 2.02 -1.73 0.13 112.91 115.81 1j0q h THR 55 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1j0q h THR 55 Cb 0.81 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1j0q h THR 55 CO 0.00 0.00 -0.07 -0.33 0.37 0.00 0.00 175.52 175.49 1j0q h GLU 56 N -0.33 -0.20 -0.55 6.66 5.08 -1.90 -0.85 114.58 122.49 1j0q h GLU 56 Ca -0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1j0q h GLU 56 Cb 0.30 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1j0q h GLU 56 CO -0.01 -0.11 0.35 -0.97 -1.00 0.00 0.00 179.01 177.28 1j0q h ASN 57 N -0.23 0.60 -0.43 1.42 -0.73 -1.91 0.31 115.58 114.60 1j0q h ASN 57 Ca -0.02 -0.01 0.07 0.00 1.87 0.00 0.00 56.30 58.21 1j0q h ASN 57 Cb 0.18 -0.14 -0.06 0.00 0.27 0.00 0.00 38.32 38.57 1j0q h ASN 57 CO 0.03 0.43 0.08 0.15 -0.37 0.00 0.00 177.43 177.75 1j0q h PHE 58 N 0.71 0.13 -0.03 0.67 3.04 -0.26 -1.36 116.94 119.84 1j0q h PHE 58 Ca 0.21 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.07 1j0q h PHE 58 Cb -0.04 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 1j0q h PHE 58 CO -0.05 0.00 -0.55 0.93 -2.02 0.00 0.00 178.31 176.62 1j0q h GLU 59 N 0.21 0.09 -0.46 1.11 4.39 -0.67 0.30 114.58 119.55 1j0q h GLU 59 Ca 0.21 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1j0q h GLU 59 Cb 0.27 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1j0q h GLU 59 CO -0.28 0.62 0.28 0.22 -1.16 0.00 0.00 179.01 178.69 1j0q h ASP 60 N 0.07 0.55 0.08 1.42 3.58 0.48 -0.85 116.42 121.75 1j0q h ASP 60 Ca -0.00 -0.05 -0.20 0.00 0.42 0.00 0.00 57.03 57.20 1j0q h ASP 60 Cb 0.99 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1j0q h ASP 60 CO 0.08 0.43 -0.74 -0.74 -2.88 0.00 0.00 179.24 175.39 1j0q h HIS 61 N 0.61 0.76 0.00 0.28 2.76 -1.25 -3.48 115.15 114.84 1j0q h HIS 61 Ca 0.17 -0.33 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 1j0q h HIS 61 Cb -0.02 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1j0q h HIS 61 CO -0.03 1.12 0.00 0.41 -1.30 0.00 0.00 177.93 178.13 1j0q n GLY 62 N 0.60 2.43 0.87 5.26 0.00 0.10 -4.94 105.19 109.51 1j0q n GLY 62 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 -2.36 -1.52 1.61 8.25 -1.26 -4.70 115.22 115.25 1j0q n HIS 63 Ca 0.00 1.29 -0.30 0.00 -0.26 0.00 0.00 57.72 58.45 1j0q n HIS 63 Cb 0.00 -2.17 0.09 0.00 1.12 0.00 0.00 29.99 29.03 1j0q n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1j0q s SER 64 N -4.98 4.53 0.31 0.41 0.15 -1.26 -4.87 113.70 107.99 1j0q s SER 64 Ca 0.00 1.38 0.08 0.00 0.70 0.00 0.00 55.95 58.11 1j0q s SER 64 Cb 0.00 -2.13 0.88 0.00 -1.71 0.00 0.00 66.02 63.06 1j0q s SER 64 CO 0.00 -1.95 1.69 0.71 1.20 0.00 0.00 173.24 174.89 1j0q h THR 65 N -1.08 0.43 -0.03 6.45 1.35 -1.98 -0.59 112.91 117.46 1j0q h THR 65 Ca -0.47 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1j0q h THR 65 Cb 1.26 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1j0q h THR 65 CO 0.58 0.08 0.00 0.44 -0.25 0.00 0.00 175.52 176.37 1j0q h ASP 66 N 0.42 0.05 -0.76 5.36 5.19 -1.99 0.15 116.42 124.83 1j0q h ASP 66 Ca 0.64 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.73 1j0q h ASP 66 Cb 1.29 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.75 1j0q h ASP 66 CO -0.55 0.33 0.36 0.00 -3.12 0.00 0.00 179.24 176.26 1j0q h ALA 67 N 0.73 1.18 0.19 3.45 0.00 -1.81 0.91 119.26 123.91 1j0q h ALA 67 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1j0q h ALA 67 Cb 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1j0q h ALA 67 CO 0.00 0.62 -0.32 -0.09 0.00 0.00 0.00 179.25 179.46 1j0q h ARG 68 N 1.10 -0.53 -0.69 0.00 9.65 -0.58 0.56 114.38 123.90 1j0q h ARG 68 Ca 0.27 0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.31 1j0q h ARG 68 Cb 0.12 0.12 -0.13 0.00 -1.39 0.00 0.00 29.97 28.69 1j0q h ARG 68 CO -0.03 -0.35 -0.25 1.49 2.80 0.00 0.00 179.97 183.63 1j0q h GLU 69 N -0.55 -0.06 -0.55 0.20 4.57 -0.36 -0.05 114.58 117.79 1j0q h GLU 69 Ca -0.02 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 1j0q h GLU 69 Cb 0.51 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.02 1j0q h GLU 69 CO -0.11 -0.04 0.04 -0.07 -1.18 0.00 0.00 179.01 177.65 1j0q h LEU 70 N -0.06 -0.15 -1.38 1.64 -0.00 -0.64 -0.12 115.31 114.61 1j0q h LEU 70 Ca 0.31 0.12 0.01 0.00 -0.00 0.00 0.00 57.88 58.32 1j0q h LEU 70 Cb 0.54 0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.37 1j0q h LEU 70 CO -0.73 -0.05 0.43 0.77 -0.00 0.00 0.00 178.44 178.85 1j0q h SER 71 N 0.16 0.72 0.08 -0.43 4.64 0.10 -1.21 113.55 117.62 1j0q h SER 71 Ca 0.28 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1j0q h SER 71 Cb 0.43 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 1j0q h SER 71 CO -0.43 0.52 -0.19 0.11 -0.87 0.00 0.00 176.83 175.97 1j0q h LYS 72 N 0.85 -0.34 0.00 4.77 1.57 -0.27 -0.90 116.57 122.25 1j0q h LYS 72 Ca 0.24 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1j0q h LYS 72 Cb -0.07 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1j0q h LYS 72 CO -0.05 -0.23 0.00 0.00 -0.57 0.00 0.00 179.45 178.60 1j0q h THR 73 N -0.36 0.00 0.00 -0.16 1.03 -0.91 -0.44 112.91 112.08 1j0q h THR 73 Ca 0.03 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1j0q h THR 73 Cb 0.39 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1j0q h THR 73 CO -0.12 0.00 -0.36 0.49 -0.01 0.00 0.00 175.52 175.51 1j0q n PHE 74 N -2.39 0.17 -1.67 0.00 3.72 -0.43 -4.92 117.46 111.94 1j0q n PHE 74 Ca 0.01 0.05 -0.46 0.00 -0.05 0.00 0.00 57.45 57.00 1j0q n PHE 74 Cb 0.18 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.25 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 -1.67 0.51 0.00 4.37 5.41 -0.18 -2.38 119.36 125.43 1j0q n ILE 75 Ca 0.05 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1j0q n ILE 75 Cb 0.36 -1.48 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 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 2.57 0.00 -0.68 1.39 -5.35 -0.33 -4.92 119.36 112.04 1j0q n ILE 76 Ca 0.14 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1j0q n ILE 76 Cb 0.30 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 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 0.68 -1.46 3.06 3.28 0.00 -1.20 -4.98 105.19 104.56 1j0q n GLY 77 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.68 0.49 -0.23 1.61 2.02 -1.26 -0.82 118.70 118.83 1j0q s GLU 78 Ca 0.00 -0.83 -0.26 0.00 0.02 0.00 0.00 54.97 53.90 1j0q s GLU 78 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.41 1j0q s GLU 78 CO 0.00 -0.10 0.92 -1.17 0.02 0.00 0.00 175.26 174.93 1j0q s LEU 79 N -2.09 4.10 0.52 1.80 1.98 -1.26 -0.26 118.68 123.47 1j0q s LEU 79 Ca -0.06 1.19 -0.21 0.00 -2.89 0.00 0.00 54.13 52.16 1j0q s LEU 79 Cb -0.02 -3.34 -0.08 0.00 0.66 0.00 0.00 46.19 43.41 1j0q s LEU 79 CO -0.05 -0.57 0.98 1.57 -1.89 0.00 0.00 176.35 176.39 1j0q n HIS 80 N 6.06 0.97 0.07 5.38 -0.00 0.46 -4.82 115.22 123.33 1j0q n HIS 80 Ca 0.08 0.49 -0.16 0.00 -0.00 0.00 0.00 57.72 58.13 1j0q n HIS 80 Cb 0.47 -2.18 -0.14 0.00 -0.00 0.00 0.00 29.99 28.14 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 1.01 0.24 0.00 1.57 0.11 -1.91 -1.66 132.00 131.36 1j0q h PRO 81 Ca -0.47 -0.41 -0.01 0.00 0.11 0.00 0.00 66.00 65.21 1j0q h PRO 81 Cb 1.35 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.61 1j0q h PRO 81 CO 0.54 1.12 -0.07 0.22 -0.21 0.00 0.00 178.00 179.60 1j0q h ASP 82 N 0.07 0.00 0.00 -2.05 3.58 -2.01 -2.35 116.42 113.66 1j0q h ASP 82 Ca -0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1j0q h ASP 82 Cb 2.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.05 1j0q h ASP 82 CO 0.17 0.07 0.00 0.47 -2.88 0.00 0.00 179.24 177.07 1j0q n ASP 83 N -4.12 0.00 0.00 2.28 8.00 -1.20 -5.19 116.55 116.32 1j0q n ASP 83 Ca -0.03 0.89 0.00 0.00 0.71 0.00 0.00 54.79 56.36 1j0q n ASP 83 Cb 0.15 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1j0q n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67