#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 0.42 -2.84 0.00 3.14 -1.26 -4.93 118.33 112.85 1nx7 n VAL 4 Ca 0.00 -0.10 -0.43 0.00 -2.96 0.00 0.00 64.34 60.85 1nx7 n VAL 4 Cb 0.00 -1.51 -0.03 0.00 -1.06 0.00 0.00 33.84 31.24 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 0.32 3.23 -0.06 1.45 1.02 -0.98 -4.88 119.74 119.84 1nx7 s LYS 5 Ca 0.74 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 1nx7 s LYS 5 Cb -0.67 -4.42 -0.05 0.00 -0.52 0.00 0.00 37.83 32.18 1nx7 s LYS 5 CO 0.43 -1.84 1.61 0.71 -0.92 0.00 0.00 175.35 175.34 1nx7 s TYR 6 N 3.91 2.07 -0.04 3.18 2.02 -1.26 -2.24 117.35 124.99 1nx7 s TYR 6 Ca 0.26 0.27 0.03 0.00 -0.37 0.00 0.00 57.07 57.26 1nx7 s TYR 6 Cb -0.13 -3.87 0.00 0.00 -0.40 0.00 0.00 41.96 37.55 1nx7 s TYR 6 CO 0.06 -3.64 -0.12 0.71 -1.57 0.00 0.00 175.55 170.99 1nx7 s TYR 7 N 3.97 1.24 0.59 2.71 2.02 0.76 -4.76 117.35 123.88 1nx7 s TYR 7 Ca 0.71 -0.34 -0.06 0.00 -0.37 0.00 0.00 57.07 57.01 1nx7 s TYR 7 Cb -0.32 -0.87 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 1nx7 s TYR 7 CO 0.28 -0.14 0.91 -0.08 -1.57 0.00 0.00 175.55 174.95 1nx7 s THR 8 N 0.21 3.79 0.21 -0.71 -1.32 -1.26 -0.23 115.64 116.32 1nx7 s THR 8 Ca -0.05 0.08 -0.08 0.00 -1.21 0.00 0.00 61.69 60.43 1nx7 s THR 8 Cb -0.10 -3.51 0.31 0.00 -1.51 0.00 0.00 72.50 67.69 1nx7 s THR 8 CO 0.01 -0.53 1.21 0.18 -2.21 0.00 0.00 174.62 173.28 1nx7 n LEU 9 N -2.59 -0.35 -0.24 9.08 4.77 -1.26 0.06 117.00 126.47 1nx7 n LEU 9 Ca 0.04 1.34 -0.06 0.00 -0.03 0.00 0.00 56.01 57.31 1nx7 n LEU 9 Cb 0.57 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1nx7 n LEU 9 CO 0.53 -1.26 0.38 1.21 -1.33 0.00 0.00 177.39 176.92 1nx7 n GLU 10 N -5.23 -0.25 -0.23 3.23 4.07 -1.26 -0.02 120.64 120.95 1nx7 n GLU 10 Ca 0.11 1.07 0.03 0.00 -0.06 0.00 0.00 57.16 58.31 1nx7 n GLU 10 Cb 0.37 -1.58 0.13 0.00 -0.06 0.00 0.00 31.44 30.30 1nx7 n GLU 10 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1nx7 h GLU 11 N 0.00 0.13 -0.58 5.31 3.07 -0.72 0.24 114.58 122.02 1nx7 h GLU 11 Ca 0.09 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.84 1nx7 h GLU 11 Cb 0.23 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1nx7 h GLU 11 CO -0.53 0.08 -0.04 0.82 -1.40 0.00 0.00 179.01 177.94 1nx7 h ILE 12 N 0.13 1.27 -0.19 3.13 5.03 -1.23 -3.23 117.51 122.41 1nx7 h ILE 12 Ca 0.37 -1.19 -0.05 0.00 -0.12 0.00 0.00 64.86 63.87 1nx7 h ILE 12 Cb 0.62 0.85 -0.01 0.00 -3.03 0.00 0.00 36.82 35.25 1nx7 h ILE 12 CO -0.58 0.43 -0.11 -0.61 -0.68 0.00 0.00 178.15 176.60 1nx7 h GLN 13 N 0.95 0.30 0.00 2.37 4.15 0.27 0.28 115.11 123.44 1nx7 h GLN 13 Ca 0.16 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1nx7 h GLN 13 Cb 0.60 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1nx7 h GLN 13 CO 0.04 0.42 0.00 1.63 -1.93 0.00 0.00 178.83 178.99 1nx7 n LYS 14 N -4.27 0.21 -3.75 1.69 5.02 -0.06 -4.44 118.16 112.56 1nx7 n LYS 14 Ca -0.00 0.14 -0.28 0.00 -2.02 0.00 0.00 58.31 56.15 1nx7 n LYS 14 Cb 0.27 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.66 1nx7 n LYS 14 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1nx7 s HIS 15 N -2.60 2.72 0.00 2.13 3.76 0.99 -4.85 115.29 117.45 1nx7 s HIS 15 Ca 0.15 -2.97 0.00 0.00 -0.15 0.00 0.00 55.06 52.09 1nx7 s HIS 15 Cb 0.11 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.65 1nx7 s HIS 15 CO 0.24 -0.66 0.20 0.27 -0.85 0.00 0.00 174.74 173.95 1nx7 n ASN 16 N 2.42 0.00 -3.93 1.40 0.23 0.18 -1.30 115.26 114.27 1nx7 n ASN 16 Ca 0.21 -1.00 -0.30 0.00 -0.53 0.00 0.00 54.58 52.95 1nx7 n ASN 16 Cb 0.38 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.00 2.70 0.32 0.53 0.02 0.94 -4.89 114.94 114.56 1nx7 s ASN 17 Ca 0.00 0.15 0.12 0.00 -1.02 0.00 0.00 52.86 52.11 1nx7 s ASN 17 Cb 0.00 -0.09 1.02 0.00 0.02 0.00 0.00 41.25 42.20 1nx7 s ASN 17 CO 0.00 -2.98 1.43 -0.24 0.02 0.00 0.00 177.10 175.33 1nx7 n SER 18 N -3.91 0.15 -0.02 -1.22 2.88 -1.26 -3.25 113.62 106.99 1nx7 n SER 18 Ca 0.17 1.52 -0.06 0.00 -1.33 0.00 0.00 58.87 59.18 1nx7 n SER 18 Cb 0.59 -0.67 -0.02 0.00 -0.75 0.00 0.00 64.21 63.36 1nx7 n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1nx7 n LYS 19 N -5.17 0.25 -1.50 -1.46 4.81 -1.26 -5.01 118.16 108.82 1nx7 n LYS 19 Ca 0.29 0.10 -0.31 0.00 -0.87 0.00 0.00 58.31 57.53 1nx7 n LYS 19 Cb 0.99 -0.93 -0.19 0.00 0.02 0.00 0.00 35.03 34.92 1nx7 n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1nx7 n SER 20 N -3.89 -0.57 -3.88 3.14 7.64 -1.20 -4.71 113.62 110.15 1nx7 n SER 20 Ca -0.09 -0.23 -0.29 0.00 1.01 0.00 0.00 58.87 59.27 1nx7 n SER 20 Cb 0.30 -0.74 -0.16 0.00 -1.01 0.00 0.00 64.21 62.60 1nx7 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nx7 s THR 21 N 4.50 1.24 0.10 0.44 2.01 -1.26 -0.04 115.64 122.64 1nx7 s THR 21 Ca 1.33 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 62.40 1nx7 s THR 21 Cb -1.02 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1nx7 s THR 21 CO 0.52 -0.12 -0.19 0.26 -0.69 0.00 0.00 174.62 174.41 1nx7 s TRP 22 N 1.53 2.52 0.28 4.92 0.52 -0.42 -1.83 118.94 126.47 1nx7 s TRP 22 Ca -0.04 -0.27 -0.09 0.00 0.02 0.00 0.00 56.10 55.72 1nx7 s TRP 22 Cb -0.18 -1.37 -0.00 0.00 -1.15 0.00 0.00 33.47 30.77 1nx7 s TRP 22 CO -0.07 0.35 0.47 -0.48 0.02 0.00 0.00 176.95 177.24 1nx7 s LEU 23 N -1.98 0.59 -0.11 2.99 0.05 -0.96 -0.29 118.68 118.97 1nx7 s LEU 23 Ca 0.17 -1.16 0.03 0.00 0.05 0.00 0.00 54.13 53.22 1nx7 s LEU 23 Cb -0.11 1.62 0.00 0.00 -2.05 0.00 0.00 46.19 45.66 1nx7 s LEU 23 CO 0.09 -1.20 -0.23 -0.63 -0.55 0.00 0.00 176.35 173.83 1nx7 s ILE 24 N -3.62 2.03 -0.55 1.48 1.01 -0.09 -0.45 121.20 121.01 1nx7 s ILE 24 Ca 0.26 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.96 1nx7 s ILE 24 Cb -0.00 -1.77 0.14 0.00 0.01 0.00 0.00 42.46 40.84 1nx7 s ILE 24 CO 0.13 0.55 0.32 -0.76 0.00 0.00 0.00 174.94 175.18 1nx7 s LEU 25 N 0.54 4.04 -0.62 2.97 1.02 -0.01 0.01 118.68 126.63 1nx7 s LEU 25 Ca -0.14 -3.15 -0.00 0.00 0.02 0.00 0.00 54.13 50.85 1nx7 s LEU 25 Cb -0.17 -1.49 -0.00 0.00 0.02 0.00 0.00 46.19 44.55 1nx7 s LEU 25 CO 0.05 -0.20 0.58 1.41 0.02 0.00 0.00 176.35 178.21 1nx7 n HIS 26 N 2.90 -2.45 0.00 0.29 8.25 -1.26 -3.73 115.22 119.22 1nx7 n HIS 26 Ca 0.10 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 58.49 1nx7 n HIS 26 Cb 0.34 -3.67 0.00 0.00 1.12 0.00 0.00 29.99 27.78 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 -1.69 0.00 -2.64 4.41 4.01 -1.26 -4.92 117.16 115.08 1nx7 n TYR 27 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1nx7 n TYR 27 Cb 0.50 -0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 39.42 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 0.00 4.58 -0.24 -0.72 -0.14 -1.24 0.11 119.74 122.09 1nx7 s LYS 28 Ca 0.00 1.53 -0.14 0.00 -1.36 0.00 0.00 55.97 56.01 1nx7 s LYS 28 Cb 0.00 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.72 1nx7 s LYS 28 CO 0.00 0.00 0.32 0.08 -0.76 0.00 0.00 175.35 174.99 1nx7 s VAL 29 N 0.56 5.24 -0.25 3.17 1.01 0.21 -0.83 120.40 129.52 1nx7 s VAL 29 Ca 0.51 0.49 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 1nx7 s VAL 29 Cb -0.24 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1nx7 s VAL 29 CO 0.30 0.24 0.08 -0.31 0.00 0.00 0.00 175.10 175.41 1nx7 s TYR 30 N 1.58 3.11 -1.01 5.22 1.51 0.40 -1.22 117.35 126.94 1nx7 s TYR 30 Ca 0.14 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.81 1nx7 s TYR 30 Cb -0.15 -2.24 0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1nx7 s TYR 30 CO 0.08 -0.29 2.77 -0.40 -1.11 0.00 0.00 175.55 176.60 1nx7 n ASP 31 N 4.81 7.46 -0.19 2.29 5.75 0.03 -2.26 116.55 134.44 1nx7 n ASP 31 Ca -0.16 -2.95 0.00 0.00 -0.01 0.00 0.00 54.79 51.67 1nx7 n ASP 31 Cb 0.52 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 1nx7 n ASP 31 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nx7 n LEU 32 N 2.02 0.26 -0.24 -2.12 4.77 -0.82 -3.90 117.00 116.97 1nx7 n LEU 32 Ca 0.60 -0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1nx7 n LEU 32 Cb 0.40 -0.13 0.21 0.00 -2.33 0.00 0.00 43.42 41.57 1nx7 n LEU 32 CO 0.56 0.07 1.22 0.74 -1.33 0.00 0.00 177.39 178.65 1nx7 h THR 33 N 0.00 1.21 -0.01 -5.08 2.02 -1.64 0.13 112.91 109.54 1nx7 h THR 33 Ca 0.00 -0.43 -0.22 0.00 0.77 0.00 0.00 66.41 66.53 1nx7 h THR 33 Cb 0.13 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1nx7 h THR 33 CO 0.00 0.21 -0.91 0.07 0.37 0.00 0.00 175.52 175.26 1nx7 h LYS 34 N 1.06 0.41 0.00 6.66 2.10 -1.89 -3.38 116.57 121.54 1nx7 h LYS 34 Ca 0.28 -0.43 -0.12 0.00 -2.00 0.00 0.00 60.65 58.38 1nx7 h LYS 34 Cb -0.08 0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.35 1nx7 h LYS 34 CO -0.06 1.09 -0.59 0.35 -2.00 0.00 0.00 179.45 178.24 1nx7 h PHE 35 N 0.24 0.00 -0.42 0.07 3.57 -1.04 -3.25 116.94 116.11 1nx7 h PHE 35 Ca -0.07 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.49 1nx7 h PHE 35 Cb 1.54 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.21 1nx7 h PHE 35 CO 0.06 0.59 -0.19 1.28 -2.23 0.00 0.00 178.31 177.82 1nx7 n LEU 36 N -3.56 -0.32 0.08 0.59 4.77 -0.37 -0.33 117.00 117.85 1nx7 n LEU 36 Ca -0.00 0.74 -0.05 0.00 -0.03 0.00 0.00 56.01 56.67 1nx7 n LEU 36 Cb 0.65 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1nx7 n LEU 36 CO 0.41 -0.65 0.18 -0.33 -1.33 0.00 0.00 177.39 175.67 1nx7 h GLU 37 N 0.00 0.00 -0.15 3.23 5.08 -1.86 -3.04 114.58 117.84 1nx7 h GLU 37 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1nx7 h GLU 37 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1nx7 h GLU 37 CO -0.41 0.84 -0.37 0.93 -1.00 0.00 0.00 179.01 178.99 1nx7 h GLU 38 N 0.00 0.51 -6.33 2.33 5.08 -1.08 -3.47 114.58 111.62 1nx7 h GLU 38 Ca -0.02 -0.35 -0.57 0.00 -1.00 0.00 0.00 59.36 57.41 1nx7 h GLU 38 Cb 1.68 0.05 0.02 0.00 0.50 0.00 0.00 28.75 31.01 1nx7 h GLU 38 CO 0.11 0.97 1.15 1.58 -1.00 0.00 0.00 179.01 181.82 1nx7 n HIS 39 N -4.32 2.43 0.21 4.33 -0.00 0.55 -4.89 115.22 113.53 1nx7 n HIS 39 Ca -0.07 -0.16 0.15 0.00 0.46 0.00 0.00 57.72 58.10 1nx7 n HIS 39 Cb 0.52 -2.73 0.78 0.00 -0.12 0.00 0.00 29.99 28.45 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 9.64 0.00 -0.42 1.57 0.13 -1.91 0.13 132.00 141.14 1nx7 h PRO 40 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.41 4.56 1.56 0.00 -1.26 -5.04 105.19 103.97 1nx7 n GLY 41 Ca 0.01 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 0.50 -1.92 0.12 -0.02 0.00 0.45 -4.59 105.19 99.72 1nx7 n GLY 42 Ca 0.05 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.07 0.58 -0.28 1.61 0.00 -1.15 -4.50 120.64 115.83 1nx7 n GLU 43 Ca 0.00 0.47 -0.07 0.00 0.00 0.00 0.00 57.16 57.56 1nx7 n GLU 43 Cb 0.07 -1.67 -0.03 0.00 0.00 0.00 0.00 31.44 29.81 1nx7 n GLU 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1nx7 h GLU 44 N -0.96 -0.13 -0.66 3.44 4.57 -1.90 0.40 114.58 119.33 1nx7 h GLU 44 Ca -0.46 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.84 1nx7 h GLU 44 Cb 1.42 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.96 1nx7 h GLU 44 CO -0.27 -0.09 0.25 -0.39 -1.18 0.00 0.00 179.01 177.33 1nx7 h VAL 45 N -0.14 0.73 -0.07 0.32 -1.51 -1.81 0.22 116.25 113.99 1nx7 h VAL 45 Ca 0.21 -0.14 -0.16 0.00 -1.23 0.00 0.00 66.70 65.38 1nx7 h VAL 45 Cb 0.55 0.28 0.01 0.00 -2.13 0.00 0.00 31.29 29.99 1nx7 h VAL 45 CO -0.80 0.08 -0.59 -0.07 -1.23 0.00 0.00 177.57 174.96 1nx7 h LEU 46 N 0.42 0.65 -0.61 4.19 3.38 -1.23 -1.70 115.31 120.41 1nx7 h LEU 46 Ca 0.34 -0.68 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1nx7 h LEU 46 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1nx7 h LEU 46 CO -0.34 1.23 0.22 -0.09 0.09 0.00 0.00 178.44 179.55 1nx7 h ARG 47 N 0.12 0.92 -0.59 1.13 2.43 -0.68 -0.81 114.38 116.90 1nx7 h ARG 47 Ca -0.05 -0.18 0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1nx7 h ARG 47 Cb 1.25 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 1nx7 h ARG 47 CO 0.12 0.80 0.28 0.93 -1.51 0.00 0.00 179.97 180.59 1nx7 h GLU 48 N 0.85 0.50 0.00 0.20 5.08 -0.50 -0.15 114.58 120.56 1nx7 h GLU 48 Ca 0.20 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nx7 h GLU 48 Cb 0.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1nx7 h GLU 48 CO -0.01 0.33 0.00 1.04 -1.00 0.00 0.00 179.01 179.37 1nx7 n GLN 49 N -4.90 0.06 -1.84 2.33 1.13 -0.65 -4.91 117.38 108.59 1nx7 n GLN 49 Ca 0.07 0.22 -0.37 0.00 -1.94 0.00 0.00 57.00 54.98 1nx7 n GLN 49 Cb 0.20 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.10 1nx7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nx7 s ALA 50 N -2.89 2.64 -1.40 -1.58 0.00 -0.07 -2.57 121.76 115.89 1nx7 s ALA 50 Ca 0.09 1.21 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 1nx7 s ALA 50 Cb 0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1nx7 s ALA 50 CO 0.26 -1.36 0.15 0.41 0.00 0.00 0.00 175.76 175.22 1nx7 n GLY 51 N 0.72 -0.32 3.70 0.00 0.00 0.60 -4.84 105.19 105.05 1nx7 n GLY 51 Ca 0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.40 -0.28 -0.40 -0.02 0.00 -1.06 -4.24 107.32 98.92 1nx7 s GLY 52 Ca 0.08 0.06 -0.27 0.00 0.00 0.00 0.00 44.72 44.59 1nx7 s GLY 52 CO 0.10 0.02 2.06 0.51 0.00 0.00 0.00 173.10 175.78 1nx7 s ASP 53 N -2.85 5.31 -0.10 1.64 -4.77 -1.26 -0.91 116.67 113.74 1nx7 s ASP 53 Ca 0.08 1.19 0.19 0.00 -3.30 0.00 0.00 52.55 50.72 1nx7 s ASP 53 Cb -0.04 -2.52 0.72 0.00 -1.09 0.00 0.00 42.92 39.99 1nx7 s ASP 53 CO -0.00 -2.18 1.62 0.00 0.70 0.00 0.00 175.17 175.30 1nx7 n ALA 54 N 12.46 2.99 -0.39 2.11 0.00 0.10 -4.46 120.51 133.33 1nx7 n ALA 54 Ca 0.27 -1.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.16 1nx7 n ALA 54 Cb 0.49 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 1.23 -0.54 0.00 0.00 -1.04 0.42 -0.68 114.28 113.68 1nx7 n THR 55 Ca 0.26 2.34 0.00 0.00 -2.04 0.00 0.00 64.05 64.60 1nx7 n THR 55 Cb 0.85 -3.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.29 1nx7 n THR 55 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1nx7 n GLU 56 N -5.44 0.00 -0.24 -2.82 2.13 -1.26 -0.62 120.64 112.38 1nx7 n GLU 56 Ca 0.09 0.63 -0.02 0.00 0.66 0.00 0.00 57.16 58.53 1nx7 n GLU 56 Cb 0.39 -1.06 0.10 0.00 0.27 0.00 0.00 31.44 31.13 1nx7 n GLU 56 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1nx7 h ASN 57 N 0.00 0.60 -0.20 4.31 2.35 -1.43 0.22 115.58 121.43 1nx7 h ASN 57 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1nx7 h ASN 57 Cb 0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1nx7 h ASN 57 CO 0.00 0.39 0.13 0.15 -1.65 0.00 0.00 177.43 176.45 1nx7 h PHE 58 N 0.73 0.25 -0.02 1.19 3.57 -0.61 -0.46 116.94 121.59 1nx7 h PHE 58 Ca 0.30 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.56 1nx7 h PHE 58 Cb 0.16 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.83 1nx7 h PHE 58 CO -0.07 0.18 -0.98 0.93 -2.23 0.00 0.00 178.31 176.14 1nx7 h GLU 59 N 0.26 0.61 -0.26 1.11 4.39 0.31 0.16 114.58 121.16 1nx7 h GLU 59 Ca 0.07 -0.63 -0.06 0.00 0.34 0.00 0.00 59.36 59.08 1nx7 h GLU 59 Cb -0.01 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1nx7 h GLU 59 CO -0.01 1.24 -0.06 -0.44 -1.16 0.00 0.00 179.01 178.57 1nx7 h ASP 60 N 0.35 0.50 -0.09 1.42 3.32 -0.67 -2.39 116.42 118.87 1nx7 h ASP 60 Ca -0.10 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 1nx7 h ASP 60 Cb 1.62 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 1nx7 h ASP 60 CO 0.18 0.75 -0.01 0.58 -1.72 0.00 0.00 179.24 179.03 1nx7 h VAL 61 N 0.25 1.13 0.00 -1.35 2.07 -1.07 -3.46 116.25 113.82 1nx7 h VAL 61 Ca 0.07 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1nx7 h VAL 61 Cb 0.53 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1nx7 h VAL 61 CO 0.03 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1nx7 n GLY 62 N -1.14 1.29 7.00 2.17 0.00 0.55 -4.92 105.19 110.15 1nx7 n GLY 62 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -3.57 1.61 8.25 -1.26 -4.77 115.22 115.47 1nx7 n HIS 63 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1nx7 n HIS 63 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1nx7 n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1nx7 s SER 64 N -4.00 -0.37 0.13 0.41 1.04 -1.26 -5.02 113.70 104.63 1nx7 s SER 64 Ca 0.00 0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.51 1nx7 s SER 64 Cb 0.00 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.37 1nx7 s SER 64 CO 0.00 -0.37 1.58 0.74 0.98 0.00 0.00 173.24 176.17 1nx7 h THR 65 N 2.52 0.14 -0.99 2.02 2.02 -1.99 0.44 112.91 117.07 1nx7 h THR 65 Ca -0.19 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.35 1nx7 h THR 65 Cb 1.17 0.14 -0.17 0.00 -1.74 0.00 0.00 68.15 67.54 1nx7 h THR 65 CO 0.31 0.00 0.38 0.44 0.37 0.00 0.00 175.52 177.02 1nx7 h ASP 66 N -0.51 0.10 0.13 4.18 5.19 -1.98 0.67 116.42 124.21 1nx7 h ASP 66 Ca 0.07 0.25 -0.30 0.00 -0.62 0.00 0.00 57.03 56.43 1nx7 h ASP 66 Cb 0.63 0.31 0.03 0.00 0.18 0.00 0.00 39.33 40.49 1nx7 h ASP 66 CO -0.39 -0.36 -1.24 0.00 -3.12 0.00 0.00 179.24 174.13 1nx7 h ALA 67 N 1.96 -0.02 -0.92 3.45 0.00 -1.43 0.32 119.26 122.62 1nx7 h ALA 67 Ca 0.74 -0.77 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1nx7 h ALA 67 Cb 1.81 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.62 1nx7 h ALA 67 CO -0.78 0.67 0.52 0.00 0.00 0.00 0.00 179.25 179.66 1nx7 h ARG 68 N 0.25 0.73 0.02 0.00 2.47 0.28 0.11 114.38 118.25 1nx7 h ARG 68 Ca -0.19 -0.04 -0.28 0.00 -1.26 0.00 0.00 59.98 58.20 1nx7 h ARG 68 Cb 1.92 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 30.04 1nx7 h ARG 68 CO 0.24 0.48 -1.55 0.93 0.56 0.00 0.00 179.97 180.63 1nx7 h GLU 69 N 0.75 0.05 -0.48 0.04 4.39 -0.70 -3.27 114.58 115.36 1nx7 h GLU 69 Ca 0.49 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1nx7 h GLU 69 Cb 0.65 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1nx7 h GLU 69 CO -0.34 0.74 0.30 1.25 -1.16 0.00 0.00 179.01 179.80 1nx7 h LEU 70 N 0.01 0.57 -1.00 1.33 5.85 -0.16 -3.18 115.31 118.74 1nx7 h LEU 70 Ca -0.23 -0.04 0.31 0.00 0.84 0.00 0.00 57.88 58.75 1nx7 h LEU 70 Cb 1.96 -0.14 -0.15 0.00 0.37 0.00 0.00 40.66 42.70 1nx7 h LEU 70 CO 0.10 0.45 0.56 -1.28 -0.34 0.00 0.00 178.44 177.93 1nx7 h SER 71 N 0.65 0.52 -0.96 1.25 0.87 -0.82 -0.22 113.55 114.84 1nx7 h SER 71 Ca 0.17 0.18 0.23 0.00 -1.23 0.00 0.00 61.79 61.15 1nx7 h SER 71 Cb -0.03 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 61.98 1nx7 h SER 71 CO -0.03 -0.10 0.63 0.11 -0.53 0.00 0.00 176.83 176.91 1nx7 h LYS 72 N 0.36 0.38 0.00 2.24 1.79 -1.67 -0.39 116.57 119.27 1nx7 h LYS 72 Ca 0.71 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.16 1nx7 h LYS 72 Cb 1.58 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.15 1nx7 h LYS 72 CO -0.59 0.25 0.00 0.25 -1.08 0.00 0.00 179.45 178.28 1nx7 n THR 73 N -4.54 1.11 -0.06 -0.16 -2.24 -0.09 -1.66 114.28 106.65 1nx7 n THR 73 Ca 0.22 0.58 0.09 0.00 -2.27 0.00 0.00 64.05 62.67 1nx7 n THR 73 Cb 0.78 -1.56 0.21 0.00 -2.10 0.00 0.00 70.33 67.66 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 -2.13 0.58 -2.30 4.78 3.72 -0.16 -4.94 117.46 117.01 1nx7 n PHE 74 Ca -0.00 -0.39 -0.43 0.00 -0.05 0.00 0.00 57.45 56.58 1nx7 n PHE 74 Cb 0.08 -0.01 -0.02 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 -1.11 3.93 -0.14 4.37 1.01 -0.66 -0.79 121.20 127.82 1nx7 s ILE 75 Ca 0.34 1.03 0.16 0.00 0.00 0.00 0.00 60.65 62.17 1nx7 s ILE 75 Cb 0.18 -4.03 -0.24 0.00 0.01 0.00 0.00 42.46 38.38 1nx7 s ILE 75 CO 0.25 -0.50 0.30 2.30 0.00 0.00 0.00 174.94 177.29 1nx7 n ILE 76 N 6.54 1.44 -3.21 2.92 -5.35 -0.35 -4.96 119.36 116.38 1nx7 n ILE 76 Ca 0.17 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 1nx7 n ILE 76 Cb 0.47 -0.66 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 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 1.67 2.61 3.45 3.28 0.00 -1.14 -2.31 105.19 112.74 1nx7 n GLY 77 Ca -0.26 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 1nx7 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nx7 s GLU 78 N -1.81 1.16 0.16 1.61 2.12 -0.95 -0.62 118.70 120.37 1nx7 s GLU 78 Ca 0.00 -0.30 -0.34 0.00 0.36 0.00 0.00 54.97 54.70 1nx7 s GLU 78 Cb 0.00 0.54 -0.14 0.00 0.26 0.00 0.00 34.13 34.78 1nx7 s GLU 78 CO 0.00 -0.48 1.54 -0.11 -0.54 0.00 0.00 175.26 175.67 1nx7 n LEU 79 N -0.09 2.94 -4.50 2.70 7.94 0.12 -0.17 117.00 125.94 1nx7 n LEU 79 Ca -0.16 1.09 -0.49 0.00 -1.11 0.00 0.00 56.01 55.34 1nx7 n LEU 79 Cb 0.63 -1.40 -0.04 0.00 0.53 0.00 0.00 43.42 43.14 1nx7 n LEU 79 CO 0.14 -0.38 0.37 1.57 -1.11 0.00 0.00 177.39 177.97 1nx7 n HIS 80 N 3.21 0.48 0.00 1.96 -0.00 0.68 -4.53 115.22 117.01 1nx7 n HIS 80 Ca 0.17 0.85 0.00 0.00 -0.00 0.00 0.00 57.72 58.74 1nx7 n HIS 80 Cb 0.28 -2.12 0.00 0.00 -0.00 0.00 0.00 29.99 28.15 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 1.17 0.00 -0.00 1.57 -0.04 -1.26 -0.01 135.00 136.43 1nx7 n PRO 81 Ca 0.16 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.91 1nx7 n PRO 81 Cb 0.24 -1.54 -0.14 0.00 -0.04 0.00 0.00 33.50 32.02 1nx7 n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1nx7 h ASP 82 N 0.00 0.15 1.10 3.54 3.58 -2.00 -3.37 116.42 119.42 1nx7 h ASP 82 Ca 0.00 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 1nx7 h ASP 82 Cb 0.08 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1nx7 h ASP 82 CO 0.00 1.28 -0.91 -0.78 -2.88 0.00 0.00 179.24 175.95 1nx7 h ASP 83 N 0.03 0.00 0.00 2.28 1.82 -0.76 -3.54 116.42 116.25 1nx7 h ASP 83 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1nx7 h ASP 83 Cb 2.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.02 1nx7 h ASP 83 CO 0.09 0.06 0.00 0.54 -1.61 0.00 0.00 179.24 178.32