#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nx7 n VAL 4 N 0.00 2.52 -3.50 0.00 3.14 -1.26 -4.99 118.33 114.24 1nx7 n VAL 4 Ca 0.00 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.46 1nx7 n VAL 4 Cb 0.00 -1.88 -0.06 0.00 -1.06 0.00 0.00 33.84 30.84 1nx7 n VAL 4 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1nx7 s LYS 5 N -2.32 2.87 -0.06 1.45 1.02 -1.26 -5.02 119.74 116.43 1nx7 s LYS 5 Ca 0.58 -2.11 -0.29 0.00 0.02 0.00 0.00 55.97 54.17 1nx7 s LYS 5 Cb -0.46 -4.07 -0.07 0.00 -0.52 0.00 0.00 37.83 32.71 1nx7 s LYS 5 CO 0.60 -1.23 1.88 0.71 -0.92 0.00 0.00 175.35 176.38 1nx7 s TYR 6 N 0.77 1.55 -0.08 3.18 2.02 -1.26 -3.22 117.35 120.31 1nx7 s TYR 6 Ca 0.11 -0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 1nx7 s TYR 6 Cb -0.21 -4.08 -0.01 0.00 -0.40 0.00 0.00 41.96 37.26 1nx7 s TYR 6 CO -0.03 -4.58 -0.22 0.71 -1.57 0.00 0.00 175.55 169.86 1nx7 s TYR 7 N 5.01 2.55 0.45 2.71 2.02 0.13 -4.77 117.35 125.44 1nx7 s TYR 7 Ca 0.84 -0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1nx7 s TYR 7 Cb -0.37 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1nx7 s TYR 7 CO 0.36 -0.21 0.69 -0.08 -1.57 0.00 0.00 175.55 174.74 1nx7 s THR 8 N -0.05 4.36 0.29 -0.71 -1.32 -1.26 -0.41 115.64 116.54 1nx7 s THR 8 Ca -0.06 -0.30 0.02 0.00 -1.21 0.00 0.00 61.69 60.14 1nx7 s THR 8 Cb -0.15 -3.63 0.39 0.00 -1.51 0.00 0.00 72.50 67.60 1nx7 s THR 8 CO 0.05 -0.49 1.44 0.18 -2.21 0.00 0.00 174.62 173.58 1nx7 n LEU 9 N -2.11 -0.09 -0.15 9.08 4.77 -1.26 -0.45 117.00 126.79 1nx7 n LEU 9 Ca 0.00 1.56 -0.06 0.00 -0.03 0.00 0.00 56.01 57.48 1nx7 n LEU 9 Cb 0.57 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1nx7 n LEU 9 CO 0.49 -1.59 0.49 -0.08 -1.33 0.00 0.00 177.39 175.38 1nx7 h GLU 10 N 0.00 -0.08 -0.77 3.23 4.57 -1.97 0.36 114.58 119.92 1nx7 h GLU 10 Ca 0.57 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.93 1nx7 h GLU 10 Cb 1.18 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.66 1nx7 h GLU 10 CO -0.86 -0.05 0.07 0.93 -1.18 0.00 0.00 179.01 177.92 1nx7 h GLU 11 N -0.08 0.14 -0.43 1.92 4.39 -1.12 0.22 114.58 119.63 1nx7 h GLU 11 Ca 0.06 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1nx7 h GLU 11 Cb 0.24 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1nx7 h GLU 11 CO -0.40 0.09 0.09 0.82 -1.16 0.00 0.00 179.01 178.46 1nx7 h ILE 12 N 0.15 1.24 -0.50 3.13 5.03 -0.97 -3.28 117.51 122.31 1nx7 h ILE 12 Ca 0.44 -0.82 -0.04 0.00 -0.12 0.00 0.00 64.86 64.31 1nx7 h ILE 12 Cb 0.79 0.95 -0.02 0.00 -3.03 0.00 0.00 36.82 35.51 1nx7 h ILE 12 CO -0.64 0.29 0.15 -0.61 -0.68 0.00 0.00 178.15 176.66 1nx7 h GLN 13 N 0.56 0.74 0.00 2.37 4.15 0.28 0.35 115.11 123.56 1nx7 h GLN 13 Ca 0.13 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1nx7 h GLN 13 Cb 0.33 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1nx7 h GLN 13 CO 0.00 0.65 0.00 1.63 -1.93 0.00 0.00 178.83 179.18 1nx7 n LYS 14 N -4.31 0.06 -3.44 1.69 5.02 -0.23 -4.18 118.16 112.78 1nx7 n LYS 14 Ca 0.04 0.15 -0.27 0.00 -2.02 0.00 0.00 58.31 56.21 1nx7 n LYS 14 Cb 0.19 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 1nx7 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nx7 n HIS 15 N -1.17 -0.04 -2.34 2.13 8.25 0.12 -4.94 115.22 117.23 1nx7 n HIS 15 Ca 0.02 -3.53 0.03 0.00 -0.26 0.00 0.00 57.72 53.98 1nx7 n HIS 15 Cb 0.02 0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.15 1nx7 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1nx7 n ASN 16 N 2.43 0.69 -4.17 0.41 0.23 0.08 -0.77 115.26 114.16 1nx7 n ASN 16 Ca 0.27 -2.00 -0.11 0.00 -0.53 0.00 0.00 54.58 52.21 1nx7 n ASN 16 Cb 0.46 -0.27 -0.10 0.00 -2.08 0.00 0.00 39.78 37.80 1nx7 n ASN 16 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1nx7 s ASN 17 N -1.69 0.21 0.36 0.53 0.01 -0.06 -4.79 114.94 109.50 1nx7 s ASN 17 Ca 0.24 -1.30 0.18 0.00 -0.71 0.00 0.00 52.86 51.27 1nx7 s ASN 17 Cb 0.27 0.35 1.23 0.00 0.41 0.00 0.00 41.25 43.51 1nx7 s ASN 17 CO -0.12 -0.80 1.61 -1.28 -1.51 0.00 0.00 177.10 175.01 1nx7 h SER 18 N 2.71 0.39 0.07 -1.22 0.87 -1.97 0.41 113.55 114.81 1nx7 h SER 18 Ca -0.35 0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 1nx7 h SER 18 Cb 1.23 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.40 1nx7 h SER 18 CO 0.55 -0.31 -0.16 0.07 -0.53 0.00 0.00 176.83 176.45 1nx7 h LYS 19 N 0.13 0.19 -1.47 2.24 2.10 -1.96 -3.41 116.57 114.39 1nx7 h LYS 19 Ca 0.80 -0.05 -0.19 0.00 -2.00 0.00 0.00 60.65 59.21 1nx7 h LYS 19 Cb 1.99 -0.03 -0.25 0.00 -0.90 0.00 0.00 32.23 33.04 1nx7 h LYS 19 CO -0.70 0.36 -0.55 -1.12 -2.00 0.00 0.00 179.45 175.43 1nx7 s SER 20 N -6.90 -0.22 -0.58 7.07 0.01 0.14 -5.01 113.70 108.21 1nx7 s SER 20 Ca -0.05 -0.95 -0.06 0.00 1.31 0.00 0.00 55.95 56.21 1nx7 s SER 20 Cb 0.15 1.31 0.15 0.00 0.21 0.00 0.00 66.02 67.84 1nx7 s SER 20 CO 0.73 -0.24 0.42 -0.89 0.41 0.00 0.00 173.24 173.67 1nx7 s THR 21 N 1.88 3.99 0.11 1.44 2.01 -0.94 -0.74 115.64 123.39 1nx7 s THR 21 Ca 0.15 -2.48 0.03 0.00 0.31 0.00 0.00 61.69 59.69 1nx7 s THR 21 Cb -0.10 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1nx7 s THR 21 CO -0.11 -0.84 0.17 0.26 -0.69 0.00 0.00 174.62 173.41 1nx7 s TRP 22 N 0.49 3.32 0.28 4.92 0.52 0.05 -0.33 118.94 128.18 1nx7 s TRP 22 Ca 0.13 0.10 -0.16 0.00 0.02 0.00 0.00 56.10 56.19 1nx7 s TRP 22 Cb -0.21 -1.63 0.01 0.00 -1.15 0.00 0.00 33.47 30.49 1nx7 s TRP 22 CO -0.04 0.54 0.61 -0.48 0.02 0.00 0.00 176.95 177.60 1nx7 s LEU 23 N -2.79 0.08 -0.14 2.99 0.05 -0.76 -0.06 118.68 118.05 1nx7 s LEU 23 Ca 0.32 -0.85 0.02 0.00 0.05 0.00 0.00 54.13 53.68 1nx7 s LEU 23 Cb -0.12 2.27 0.01 0.00 -2.05 0.00 0.00 46.19 46.30 1nx7 s LEU 23 CO 0.25 -1.29 -0.21 -0.63 -0.55 0.00 0.00 176.35 173.91 1nx7 s ILE 24 N -3.75 2.14 -0.51 1.48 1.01 -0.28 -0.41 121.20 120.87 1nx7 s ILE 24 Ca 0.17 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1nx7 s ILE 24 Cb -0.03 -1.85 0.13 0.00 0.01 0.00 0.00 42.46 40.71 1nx7 s ILE 24 CO 0.09 0.55 0.27 -0.76 0.00 0.00 0.00 174.94 175.09 1nx7 s LEU 25 N 0.75 4.67 -0.90 2.97 1.02 -0.08 0.16 118.68 127.27 1nx7 s LEU 25 Ca -0.08 -2.79 -0.04 0.00 0.02 0.00 0.00 54.13 51.24 1nx7 s LEU 25 Cb -0.16 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 1nx7 s LEU 25 CO -0.00 -0.31 0.81 1.41 0.02 0.00 0.00 176.35 178.28 1nx7 n HIS 26 N 3.46 -2.69 -0.82 0.29 8.25 -1.26 -3.04 115.22 119.41 1nx7 n HIS 26 Ca 0.05 0.98 -0.02 0.00 -0.26 0.00 0.00 57.72 58.47 1nx7 n HIS 26 Cb 0.36 -4.08 -0.01 0.00 1.12 0.00 0.00 29.99 27.38 1nx7 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1nx7 n TYR 27 N -2.56 -0.04 -3.86 4.41 4.01 -1.26 -4.95 117.16 112.91 1nx7 n TYR 27 Ca -0.04 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.34 1nx7 n TYR 27 Cb 0.56 -1.74 -0.10 0.00 -0.31 0.00 0.00 39.34 37.75 1nx7 n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1nx7 s LYS 28 N -1.69 3.97 -0.12 -0.72 -0.14 -1.17 -0.14 119.74 119.73 1nx7 s LYS 28 Ca 0.00 -0.34 -0.23 0.00 -1.36 0.00 0.00 55.97 54.05 1nx7 s LYS 28 Cb 0.00 -3.33 -0.03 0.00 -1.68 0.00 0.00 37.83 32.79 1nx7 s LYS 28 CO 0.00 0.15 0.70 0.08 -0.76 0.00 0.00 175.35 175.51 1nx7 s VAL 29 N 0.74 5.02 -0.21 3.17 1.01 0.09 -0.90 120.40 129.31 1nx7 s VAL 29 Ca 0.05 1.39 -0.06 0.00 0.00 0.00 0.00 61.98 63.37 1nx7 s VAL 29 Cb -0.13 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1nx7 s VAL 29 CO 0.02 0.18 0.01 -0.31 0.00 0.00 0.00 175.10 175.01 1nx7 s TYR 30 N 1.29 3.05 -0.51 5.22 1.51 0.45 -1.28 117.35 127.07 1nx7 s TYR 30 Ca 0.35 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 1nx7 s TYR 30 Cb -0.17 -2.13 0.03 0.00 -0.11 0.00 0.00 41.96 39.58 1nx7 s TYR 30 CO 0.15 -0.30 1.23 0.34 -1.11 0.00 0.00 175.55 175.86 1nx7 s ASP 31 N 1.20 6.47 -0.70 2.29 -1.08 0.01 -1.83 116.67 123.04 1nx7 s ASP 31 Ca 0.03 0.38 0.01 0.00 -0.52 0.00 0.00 52.55 52.45 1nx7 s ASP 31 Cb -0.14 -2.55 0.38 0.00 -1.46 0.00 0.00 42.92 39.14 1nx7 s ASP 31 CO 0.02 -1.41 1.70 0.18 0.52 0.00 0.00 175.17 176.17 1nx7 n LEU 32 N 8.40 6.51 -0.08 -1.34 4.77 0.55 -4.67 117.00 131.14 1nx7 n LEU 32 Ca 0.12 -4.97 -0.15 0.00 -0.03 0.00 0.00 56.01 50.98 1nx7 n LEU 32 Cb 0.49 -0.85 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1nx7 n LEU 32 CO 0.72 1.93 0.08 0.74 -1.33 0.00 0.00 177.39 179.53 1nx7 h THR 33 N 2.19 1.36 -0.11 -5.08 2.02 -1.86 -3.30 112.91 108.14 1nx7 h THR 33 Ca 0.47 -2.16 -0.13 0.00 0.77 0.00 0.00 66.41 65.37 1nx7 h THR 33 Cb 0.36 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1nx7 h THR 33 CO 1.23 0.46 -0.50 0.07 0.37 0.00 0.00 175.52 177.15 1nx7 h LYS 34 N -1.00 0.29 0.00 6.66 2.10 -1.91 -3.31 116.57 119.39 1nx7 h LYS 34 Ca -0.10 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1nx7 h LYS 34 Cb 1.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1nx7 h LYS 34 CO -0.06 0.73 0.00 0.34 -2.00 0.00 0.00 179.45 178.46 1nx7 n PHE 35 N -3.95 0.73 -0.23 0.07 7.35 -1.26 -3.53 117.46 116.63 1nx7 n PHE 35 Ca -0.02 0.25 -0.04 0.00 -0.76 0.00 0.00 57.45 56.88 1nx7 n PHE 35 Cb 0.55 -0.91 0.02 0.00 0.35 0.00 0.00 39.48 39.50 1nx7 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1nx7 h LEU 36 N 0.00 -1.11 -0.10 -2.13 3.38 -1.66 0.84 115.31 114.53 1nx7 h LEU 36 Ca 0.00 0.24 -0.24 0.00 0.09 0.00 0.00 57.88 57.97 1nx7 h LEU 36 Cb 0.50 0.58 0.01 0.00 0.09 0.00 0.00 40.66 41.84 1nx7 h LEU 36 CO 0.00 -0.29 -0.85 -0.33 0.09 0.00 0.00 178.44 177.05 1nx7 h GLU 37 N -0.12 0.76 -0.41 1.13 5.08 -1.85 -3.15 114.58 116.02 1nx7 h GLU 37 Ca 0.27 -0.68 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1nx7 h GLU 37 Cb 0.56 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1nx7 h GLU 37 CO -0.73 1.28 0.22 0.93 -1.00 0.00 0.00 179.01 179.71 1nx7 h GLU 38 N 0.48 0.44 -6.35 2.33 5.08 -1.55 -3.45 114.58 111.56 1nx7 h GLU 38 Ca -0.08 -0.03 -0.55 0.00 -1.00 0.00 0.00 59.36 57.71 1nx7 h GLU 38 Cb 1.49 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.66 1nx7 h GLU 38 CO 0.17 0.29 1.21 1.58 -1.00 0.00 0.00 179.01 181.27 1nx7 n HIS 39 N -4.89 2.49 0.23 4.33 -0.00 0.23 -4.89 115.22 112.72 1nx7 n HIS 39 Ca 0.02 -0.32 0.14 0.00 0.46 0.00 0.00 57.72 58.02 1nx7 n HIS 39 Cb 0.08 -2.78 0.78 0.00 -0.12 0.00 0.00 29.99 27.94 1nx7 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1nx7 h PRO 40 N 10.34 0.00 -0.07 1.57 0.13 -1.91 0.12 132.00 142.18 1nx7 h PRO 40 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1nx7 h PRO 40 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1nx7 h PRO 40 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 1nx7 n GLY 41 N -1.45 -0.76 3.23 1.56 0.00 -1.26 -5.03 105.19 101.48 1nx7 n GLY 41 Ca -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1nx7 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nx7 n GLY 42 N 0.53 -2.12 0.12 -0.02 0.00 0.40 -4.63 105.19 99.47 1nx7 n GLY 42 Ca 0.01 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 1nx7 n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nx7 n GLU 43 N -0.83 0.57 -0.30 1.61 0.00 -1.19 -4.48 120.64 116.02 1nx7 n GLU 43 Ca 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 57.16 57.45 1nx7 n GLU 43 Cb 0.04 -1.58 -0.05 0.00 0.00 0.00 0.00 31.44 29.84 1nx7 n GLU 43 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1nx7 h GLU 44 N -1.00 -0.13 -0.11 3.44 4.39 -1.90 0.69 114.58 119.96 1nx7 h GLU 44 Ca -0.51 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.21 1nx7 h GLU 44 Cb 1.42 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.09 1nx7 h GLU 44 CO -0.31 -0.08 0.07 -0.24 -1.16 0.00 0.00 179.01 177.29 1nx7 h VAL 45 N -0.13 1.01 0.08 3.13 3.04 -1.82 0.21 116.25 121.76 1nx7 h VAL 45 Ca 0.19 -0.04 -0.10 0.00 -1.01 0.00 0.00 66.70 65.74 1nx7 h VAL 45 Cb 0.52 0.89 0.01 0.00 -2.01 0.00 0.00 31.29 30.70 1nx7 h VAL 45 CO -0.82 0.02 -0.45 -0.07 -1.01 0.00 0.00 177.57 175.24 1nx7 h LEU 46 N 0.11 0.26 -0.99 3.16 3.38 -1.26 -2.87 115.31 117.11 1nx7 h LEU 46 Ca 0.04 -0.97 0.09 0.00 0.09 0.00 0.00 57.88 57.13 1nx7 h LEU 46 Cb 0.04 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1nx7 h LEU 46 CO -0.01 1.21 0.63 -0.09 0.09 0.00 0.00 178.44 180.27 1nx7 h ARG 47 N -0.64 1.04 -0.51 1.13 1.12 -0.30 0.32 114.38 116.55 1nx7 h ARG 47 Ca -0.08 -0.06 0.01 0.00 -1.11 0.00 0.00 59.98 58.74 1nx7 h ARG 47 Cb 1.35 -0.24 -0.03 0.00 -0.01 0.00 0.00 29.97 31.04 1nx7 h ARG 47 CO 0.08 0.69 0.32 0.93 -3.11 0.00 0.00 179.97 178.88 1nx7 h GLU 48 N 1.07 0.62 0.00 0.20 5.08 -0.68 -2.34 114.58 118.54 1nx7 h GLU 48 Ca 0.45 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 1nx7 h GLU 48 Cb 0.30 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1nx7 h GLU 48 CO -0.21 0.41 -0.13 1.96 -1.00 0.00 0.00 179.01 180.04 1nx7 h GLN 49 N 0.64 0.00 -6.21 2.33 1.08 -0.97 -3.47 115.11 108.51 1nx7 h GLN 49 Ca 0.20 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.70 1nx7 h GLN 49 Cb -0.03 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.47 1nx7 h GLN 49 CO -0.07 0.13 0.21 0.00 -0.95 0.00 0.00 178.83 178.15 1nx7 n ALA 50 N -2.20 -1.65 -2.69 3.87 0.00 0.10 -2.38 120.51 115.56 1nx7 n ALA 50 Ca -0.01 0.51 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 1nx7 n ALA 50 Cb 0.33 -1.95 0.02 0.00 0.00 0.00 0.00 19.45 17.85 1nx7 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nx7 n GLY 51 N 2.04 0.51 3.71 0.00 0.00 0.91 -4.69 105.19 107.68 1nx7 n GLY 51 Ca 0.17 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 1nx7 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nx7 s GLY 52 N -3.04 -0.29 -0.30 -0.02 0.00 -1.00 -4.25 107.32 98.43 1nx7 s GLY 52 Ca 0.13 0.31 -0.28 0.00 0.00 0.00 0.00 44.72 44.88 1nx7 s GLY 52 CO 0.16 0.11 1.95 0.51 0.00 0.00 0.00 173.10 175.83 1nx7 s ASP 53 N -2.97 5.71 -0.04 1.64 -4.77 -1.26 -1.12 116.67 113.86 1nx7 s ASP 53 Ca 0.13 1.48 0.21 0.00 -3.30 0.00 0.00 52.55 51.08 1nx7 s ASP 53 Cb 0.01 -2.52 0.67 0.00 -1.09 0.00 0.00 42.92 39.99 1nx7 s ASP 53 CO 0.00 -1.82 1.57 0.00 0.70 0.00 0.00 175.17 175.62 1nx7 n ALA 54 N 10.88 2.63 -0.34 2.11 0.00 0.12 -4.56 120.51 131.35 1nx7 n ALA 54 Ca 0.25 -1.41 -0.05 0.00 0.00 0.00 0.00 53.44 52.23 1nx7 n ALA 54 Cb 0.46 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 1nx7 n ALA 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nx7 n THR 55 N 1.46 -0.52 -0.13 0.00 -1.04 0.84 -0.38 114.28 114.52 1nx7 n THR 55 Ca 0.25 2.01 -0.10 0.00 -2.04 0.00 0.00 64.05 64.17 1nx7 n THR 55 Cb 0.72 -2.56 -0.07 0.00 -1.82 0.00 0.00 70.33 66.59 1nx7 n THR 55 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1nx7 h GLU 56 N 0.00 -0.25 -0.67 -2.82 4.57 -1.87 0.11 114.58 113.66 1nx7 h GLU 56 Ca 0.21 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.47 1nx7 h GLU 56 Cb 0.42 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 1nx7 h GLU 56 CO -0.81 -0.16 0.36 -0.91 -1.18 0.00 0.00 179.01 176.30 1nx7 h ASN 57 N -0.26 0.52 -0.19 1.04 -0.26 -1.39 0.13 115.58 115.17 1nx7 h ASN 57 Ca 0.06 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1nx7 h ASN 57 Cb 0.42 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1nx7 h ASN 57 CO -0.47 0.33 0.10 0.15 -1.06 0.00 0.00 177.43 176.48 1nx7 h PHE 58 N 0.66 0.27 0.01 1.19 3.57 -0.11 -3.35 116.94 119.17 1nx7 h PHE 58 Ca 0.30 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.58 1nx7 h PHE 58 Cb 0.22 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1nx7 h PHE 58 CO -0.09 0.27 -1.01 0.93 -2.23 0.00 0.00 178.31 176.18 1nx7 h GLU 59 N 0.19 0.02 0.17 1.11 4.39 -0.12 0.42 114.58 120.76 1nx7 h GLU 59 Ca 0.07 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1nx7 h GLU 59 Cb 0.09 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1nx7 h GLU 59 CO -0.01 1.01 -0.43 0.22 -1.16 0.00 0.00 179.01 178.64 1nx7 h ASP 60 N 0.01 -1.26 0.99 1.42 3.58 -0.89 -2.06 116.42 118.20 1nx7 h ASP 60 Ca -0.02 0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.48 1nx7 h ASP 60 Cb 1.77 0.46 -0.01 0.00 1.72 0.00 0.00 39.33 43.27 1nx7 h ASP 60 CO 0.14 -0.47 -0.37 1.62 -2.88 0.00 0.00 179.24 177.27 1nx7 h VAL 61 N -0.66 0.81 0.00 2.25 3.04 -1.69 -3.47 116.25 116.53 1nx7 h VAL 61 Ca -0.02 -1.58 0.00 0.00 -1.01 0.00 0.00 66.70 64.09 1nx7 h VAL 61 Cb 0.64 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 1nx7 h VAL 61 CO -0.19 0.36 0.00 0.61 -1.01 0.00 0.00 177.57 177.34 1nx7 n GLY 62 N 0.41 2.11 0.93 3.17 0.00 0.14 -4.86 105.19 107.09 1nx7 n GLY 62 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1nx7 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nx7 n HIS 63 N 0.00 -2.51 -1.72 1.61 8.25 -1.26 -4.81 115.22 114.78 1nx7 n HIS 63 Ca 0.00 1.38 -0.42 0.00 -0.26 0.00 0.00 57.72 58.42 1nx7 n HIS 63 Cb 0.00 -2.29 -0.01 0.00 1.12 0.00 0.00 29.99 28.81 1nx7 n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1nx7 n SER 64 N -2.99 3.11 -0.12 0.41 7.64 -1.26 -4.78 113.62 115.63 1nx7 n SER 64 Ca -0.04 1.20 -0.05 0.00 1.01 0.00 0.00 58.87 61.00 1nx7 n SER 64 Cb 0.38 -1.52 0.02 0.00 -1.01 0.00 0.00 64.21 62.08 1nx7 n SER 64 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1nx7 h THR 65 N 2.75 0.64 -0.99 0.44 2.02 -1.99 0.23 112.91 116.02 1nx7 h THR 65 Ca -0.47 -0.01 0.35 0.00 0.77 0.00 0.00 66.41 67.04 1nx7 h THR 65 Cb 1.27 0.60 -0.18 0.00 -1.74 0.00 0.00 68.15 68.10 1nx7 h THR 65 CO 0.65 0.01 0.35 0.44 0.37 0.00 0.00 175.52 177.34 1nx7 h ASP 66 N 0.04 0.05 0.17 4.18 5.19 -1.98 0.11 116.42 124.18 1nx7 h ASP 66 Ca 0.19 0.26 -0.31 0.00 -0.62 0.00 0.00 57.03 56.55 1nx7 h ASP 66 Cb 0.28 0.33 0.03 0.00 0.18 0.00 0.00 39.33 40.16 1nx7 h ASP 66 CO -0.37 -0.36 -1.31 0.00 -3.12 0.00 0.00 179.24 174.08 1nx7 h ALA 67 N 1.97 -0.08 -0.78 3.45 0.00 -1.00 0.23 119.26 123.05 1nx7 h ALA 67 Ca 0.74 -0.80 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1nx7 h ALA 67 Cb 1.78 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 1nx7 h ALA 67 CO -0.80 0.66 0.42 -0.09 0.00 0.00 0.00 179.25 179.45 1nx7 h ARG 68 N 0.19 0.68 0.07 0.00 2.43 0.35 0.05 114.38 118.15 1nx7 h ARG 68 Ca -0.21 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 58.66 1nx7 h ARG 68 Cb 2.00 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 31.40 1nx7 h ARG 68 CO 0.25 0.45 -1.11 0.93 -1.51 0.00 0.00 179.97 178.98 1nx7 h GLU 69 N 0.70 0.39 -0.67 0.20 4.39 -0.68 -3.00 114.58 115.91 1nx7 h GLU 69 Ca 0.38 -0.51 0.09 0.00 0.34 0.00 0.00 59.36 59.66 1nx7 h GLU 69 Cb 0.38 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 29.13 1nx7 h GLU 69 CO -0.26 1.19 0.30 1.25 -1.16 0.00 0.00 179.01 180.33 1nx7 h LEU 70 N 0.17 0.35 -1.37 1.33 5.85 -0.12 -2.55 115.31 118.98 1nx7 h LEU 70 Ca -0.12 0.07 0.41 0.00 0.84 0.00 0.00 57.88 59.08 1nx7 h LEU 70 Cb 1.78 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.70 1nx7 h LEU 70 CO 0.19 0.20 0.81 0.28 -0.34 0.00 0.00 178.44 179.58 1nx7 h SER 71 N 0.51 0.28 -0.69 1.25 0.02 -0.84 -0.51 113.55 113.57 1nx7 h SER 71 Ca 0.33 0.14 0.18 0.00 -0.84 0.00 0.00 61.79 61.59 1nx7 h SER 71 Cb 0.38 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1nx7 h SER 71 CO -0.29 -0.16 0.48 0.11 -1.14 0.00 0.00 176.83 175.84 1nx7 h LYS 72 N 0.13 0.15 0.00 3.45 1.79 -1.55 0.28 116.57 120.81 1nx7 h LYS 72 Ca 0.79 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.25 1nx7 h LYS 72 Cb 2.39 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 33.01 1nx7 h LYS 72 CO -0.42 0.10 0.00 0.25 -1.08 0.00 0.00 179.45 178.30 1nx7 n THR 73 N -4.40 0.35 0.13 -0.16 -2.24 -0.20 -2.36 114.28 105.40 1nx7 n THR 73 Ca 0.13 0.09 0.03 0.00 -2.27 0.00 0.00 64.05 62.03 1nx7 n THR 73 Cb 0.66 -0.87 0.04 0.00 -2.10 0.00 0.00 70.33 68.05 1nx7 n THR 73 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nx7 n PHE 74 N -1.16 0.08 -2.13 4.78 3.72 0.09 -5.02 117.46 117.82 1nx7 n PHE 74 Ca 0.08 -0.16 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 1nx7 n PHE 74 Cb 0.08 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 1nx7 n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1nx7 s ILE 75 N -0.64 2.96 0.00 4.37 1.01 -1.00 -0.81 121.20 127.10 1nx7 s ILE 75 Ca 0.08 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1nx7 s ILE 75 Cb 0.05 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1nx7 s ILE 75 CO 0.07 0.13 0.00 2.30 0.00 0.00 0.00 174.94 177.44 1nx7 n ILE 76 N 2.44 0.00 -3.20 2.92 -5.35 -0.40 -4.87 119.36 110.90 1nx7 n ILE 76 Ca 0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1nx7 n ILE 76 Cb 0.42 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 1nx7 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nx7 n GLY 77 N 2.19 0.84 3.45 3.28 0.00 -1.22 -4.04 105.19 109.70 1nx7 n GLY 77 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 1nx7 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nx7 s GLU 78 N 0.05 1.31 -0.01 1.61 2.02 -1.20 -0.73 118.70 121.74 1nx7 s GLU 78 Ca 0.00 -1.08 -0.32 0.00 0.02 0.00 0.00 54.97 53.59 1nx7 s GLU 78 Cb 0.00 0.45 -0.10 0.00 0.10 0.00 0.00 34.13 34.58 1nx7 s GLU 78 CO 0.00 -0.52 1.95 -0.11 0.02 0.00 0.00 175.26 176.59 1nx7 n LEU 79 N -0.29 3.90 -4.37 1.80 7.94 0.80 0.17 117.00 126.94 1nx7 n LEU 79 Ca -0.07 0.92 -0.52 0.00 -1.11 0.00 0.00 56.01 55.23 1nx7 n LEU 79 Cb 0.63 -1.47 -0.05 0.00 0.53 0.00 0.00 43.42 43.06 1nx7 n LEU 79 CO 0.21 0.10 0.25 1.57 -1.11 0.00 0.00 177.39 178.42 1nx7 n HIS 80 N 7.25 0.03 0.08 1.96 -0.00 0.45 -4.63 115.22 120.36 1nx7 n HIS 80 Ca 0.21 0.99 0.01 0.00 -0.00 0.00 0.00 57.72 58.94 1nx7 n HIS 80 Cb 0.37 -1.99 0.05 0.00 -0.00 0.00 0.00 29.99 28.42 1nx7 n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1nx7 n PRO 81 N 1.21 0.02 -0.01 1.57 -0.04 -1.26 -0.47 135.00 136.01 1nx7 n PRO 81 Ca 0.19 0.34 -0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1nx7 n PRO 81 Cb 0.17 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.01 1nx7 n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1nx7 n ASP 82 N -1.37 0.46 -0.01 3.54 2.03 -1.26 -4.36 116.55 115.57 1nx7 n ASP 82 Ca 0.01 0.20 -0.08 0.00 0.52 0.00 0.00 54.79 55.44 1nx7 n ASP 82 Cb 0.02 0.77 -0.14 0.00 -0.72 0.00 0.00 41.12 41.05 1nx7 n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1nx7 h ASP 83 N 0.00 0.00 0.00 1.67 1.82 -1.11 -3.54 116.42 115.27 1nx7 h ASP 83 Ca -0.23 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1nx7 h ASP 83 Cb 1.62 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1nx7 h ASP 83 CO 0.03 0.98 0.00 0.54 -1.61 0.00 0.00 179.24 179.18