#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 0.53 -2.63 0.00 3.14 -1.26 -4.91 118.33 113.19 1nx7 n VAL 4 Ca 0.00 -0.13 -0.42 0.00 -2.96 0.00 0.00 64.34 60.83 1nx7 n VAL 4 Cb 0.00 -1.25 -0.03 0.00 -1.06 0.00 0.00 33.84 31.50 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 0.09 3.22 -0.19 1.45 1.02 -1.02 -4.84 119.74 119.47 1nx7 s LYS 5 Ca 0.75 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 1nx7 s LYS 5 Cb -0.75 -4.33 -0.04 0.00 -0.52 0.00 0.00 37.83 32.19 1nx7 s LYS 5 CO 0.47 -2.07 1.77 0.71 -0.92 0.00 0.00 175.35 175.31 1nx7 s TYR 6 N 5.18 1.83 -0.02 3.18 2.02 -1.26 -1.21 117.35 127.07 1nx7 s TYR 6 Ca 0.33 0.41 0.06 0.00 -0.37 0.00 0.00 57.07 57.50 1nx7 s TYR 6 Cb -0.09 -4.02 -0.01 0.00 -0.40 0.00 0.00 41.96 37.44 1nx7 s TYR 6 CO 0.11 -3.47 -0.19 0.71 -1.57 0.00 0.00 175.55 171.14 1nx7 s TYR 7 N 5.68 1.75 0.46 2.71 2.02 0.11 -4.76 117.35 125.31 1nx7 s TYR 7 Ca 0.79 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 57.10 1nx7 s TYR 7 Cb -0.28 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.13 1nx7 s TYR 7 CO 0.32 -0.07 0.69 -0.08 -1.57 0.00 0.00 175.55 174.85 1nx7 s THR 8 N -0.33 4.22 0.23 -0.71 -1.32 -1.26 -0.62 115.64 115.85 1nx7 s THR 8 Ca 0.05 -0.35 -0.04 0.00 -1.21 0.00 0.00 61.69 60.13 1nx7 s THR 8 Cb -0.09 -3.58 0.36 0.00 -1.51 0.00 0.00 72.50 67.69 1nx7 s THR 8 CO 0.00 -0.44 1.26 0.18 -2.21 0.00 0.00 174.62 173.41 1nx7 n LEU 9 N -2.12 -0.23 -0.20 9.08 4.77 -1.26 -0.64 117.00 126.40 1nx7 n LEU 9 Ca 0.01 1.38 -0.05 0.00 -0.03 0.00 0.00 56.01 57.31 1nx7 n LEU 9 Cb 0.57 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1nx7 n LEU 9 CO 0.49 -1.35 0.48 1.21 -1.33 0.00 0.00 177.39 176.90 1nx7 n GLU 10 N -5.26 -0.21 -0.29 3.23 4.07 -1.26 0.18 120.64 121.10 1nx7 n GLU 10 Ca 0.15 1.23 0.06 0.00 -0.06 0.00 0.00 57.16 58.54 1nx7 n GLU 10 Cb 0.47 -1.83 0.16 0.00 -0.06 0.00 0.00 31.44 30.18 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 0.03 -0.54 5.31 3.07 -1.25 0.74 114.58 121.96 1nx7 h GLU 11 Ca 0.08 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.86 1nx7 h GLU 11 Cb 0.20 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1nx7 h GLU 11 CO -0.45 0.02 0.05 0.82 -1.40 0.00 0.00 179.01 178.05 1nx7 h ILE 12 N 0.04 1.26 -0.47 3.13 5.03 -1.10 -3.28 117.51 122.11 1nx7 h ILE 12 Ca 0.44 -1.03 -0.04 0.00 -0.12 0.00 0.00 64.86 64.12 1nx7 h ILE 12 Cb 0.76 0.87 -0.02 0.00 -3.03 0.00 0.00 36.82 35.40 1nx7 h ILE 12 CO -0.81 0.37 0.13 -0.61 -0.68 0.00 0.00 178.15 176.55 1nx7 h GLN 13 N 0.80 0.69 -1.00 2.37 4.15 0.21 0.24 115.11 122.57 1nx7 h GLN 13 Ca 0.16 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.52 1nx7 h GLN 13 Cb 0.47 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 1nx7 h GLN 13 CO 0.02 0.61 0.65 0.87 -1.93 0.00 0.00 178.83 179.05 1nx7 h LYS 14 N 0.68 1.16 -4.25 1.69 1.57 -1.47 -3.39 116.57 112.55 1nx7 h LYS 14 Ca 0.16 -0.07 -0.75 0.00 -1.87 0.00 0.00 60.65 58.12 1nx7 h LYS 14 Cb 0.22 -0.26 -0.18 0.00 0.08 0.00 0.00 32.23 32.09 1nx7 h LYS 14 CO -0.01 0.77 1.51 0.72 -0.57 0.00 0.00 179.45 181.87 1nx7 n HIS 15 N -4.48 4.27 -1.49 -1.35 8.25 0.83 -4.19 115.22 117.06 1nx7 n HIS 15 Ca 0.15 -3.18 0.00 0.00 -0.26 0.00 0.00 57.72 54.43 1nx7 n HIS 15 Cb 0.16 -2.06 0.00 0.00 1.12 0.00 0.00 29.99 29.21 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 4.81 0.00 0.42 0.41 0.23 -1.12 -0.58 115.26 119.44 1nx7 n ASN 16 Ca 0.37 -0.75 -0.17 0.00 -0.53 0.00 0.00 54.58 53.50 1nx7 n ASN 16 Cb 0.40 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.02 1nx7 n ASN 16 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1nx7 h ASN 17 N 0.00 -0.93 0.00 0.53 -0.73 -1.69 -3.47 115.58 109.30 1nx7 h ASN 17 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1nx7 h ASN 17 Cb 0.54 0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.37 1nx7 h ASN 17 CO 0.00 -0.57 0.00 -0.24 -0.37 0.00 0.00 177.43 176.25 1nx7 n SER 18 N -5.50 -2.19 -0.05 1.15 2.88 -1.26 -4.94 113.62 103.70 1nx7 n SER 18 Ca -0.14 0.56 -0.09 0.00 -1.33 0.00 0.00 58.87 57.87 1nx7 n SER 18 Cb 0.43 2.23 -0.08 0.00 -0.75 0.00 0.00 64.21 66.04 1nx7 n SER 18 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1nx7 h LYS 19 N 0.00 -0.01 -6.56 -1.46 2.10 -1.97 -3.46 116.57 105.21 1nx7 h LYS 19 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 1nx7 h LYS 19 Cb 0.00 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 31.38 1nx7 h LYS 19 CO 0.00 0.61 1.03 0.43 -2.00 0.00 0.00 179.45 179.52 1nx7 n SER 20 N -4.69 3.87 -3.32 7.07 7.64 -1.26 -4.79 113.62 118.14 1nx7 n SER 20 Ca -0.06 1.03 -0.08 0.00 1.01 0.00 0.00 58.87 60.77 1nx7 n SER 20 Cb 0.30 -1.53 -0.07 0.00 -1.01 0.00 0.00 64.21 61.90 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 1.92 -0.66 0.25 0.44 2.01 -1.24 -2.79 115.64 115.57 1nx7 s THR 21 Ca 0.79 -0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.78 1nx7 s THR 21 Cb -0.53 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1nx7 s THR 21 CO 0.36 -0.14 -0.01 0.26 -0.69 0.00 0.00 174.62 174.41 1nx7 s TRP 22 N 2.58 2.71 0.30 4.92 0.52 0.26 -1.61 118.94 128.62 1nx7 s TRP 22 Ca 0.13 -0.21 -0.17 0.00 0.02 0.00 0.00 56.10 55.87 1nx7 s TRP 22 Cb -0.15 -1.23 0.02 0.00 -1.15 0.00 0.00 33.47 30.96 1nx7 s TRP 22 CO -0.19 0.60 0.66 -0.48 0.02 0.00 0.00 176.95 177.56 1nx7 s LEU 23 N -3.51 0.00 -0.15 2.99 0.05 -0.56 -0.27 118.68 117.24 1nx7 s LEU 23 Ca 0.30 -0.84 0.02 0.00 0.05 0.00 0.00 54.13 53.66 1nx7 s LEU 23 Cb -0.07 2.44 0.01 0.00 -2.05 0.00 0.00 46.19 46.52 1nx7 s LEU 23 CO 0.19 -1.36 -0.20 -0.63 -0.55 0.00 0.00 176.35 173.81 1nx7 s ILE 24 N -3.59 2.24 -0.48 1.48 1.01 -0.06 -0.44 121.20 121.36 1nx7 s ILE 24 Ca 0.16 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1nx7 s ILE 24 Cb -0.04 -1.91 0.13 0.00 0.01 0.00 0.00 42.46 40.64 1nx7 s ILE 24 CO 0.09 0.54 0.24 -0.76 0.00 0.00 0.00 174.94 175.04 1nx7 s LEU 25 N 0.88 3.75 -0.83 2.97 1.02 0.24 -0.22 118.68 126.50 1nx7 s LEU 25 Ca -0.05 -2.80 -0.03 0.00 0.02 0.00 0.00 54.13 51.27 1nx7 s LEU 25 Cb -0.15 -1.42 -0.01 0.00 0.02 0.00 0.00 46.19 44.63 1nx7 s LEU 25 CO -0.03 -0.26 0.72 1.41 0.02 0.00 0.00 176.35 178.21 1nx7 n HIS 26 N 3.37 -2.65 0.00 0.29 8.25 -1.26 -3.20 115.22 120.01 1nx7 n HIS 26 Ca 0.06 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.50 1nx7 n HIS 26 Cb 0.34 -3.81 0.00 0.00 1.12 0.00 0.00 29.99 27.64 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 -2.33 0.00 -2.53 4.41 4.01 -1.26 -4.93 117.16 114.53 1nx7 n TYR 27 Ca -0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.25 1nx7 n TYR 27 Cb 0.56 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.51 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 4.54 -0.23 -0.72 -0.14 -1.20 0.10 119.74 122.09 1nx7 s LYS 28 Ca 0.00 1.67 -0.16 0.00 -1.36 0.00 0.00 55.97 56.12 1nx7 s LYS 28 Cb 0.00 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.77 1nx7 s LYS 28 CO 0.00 -0.06 0.40 0.08 -0.76 0.00 0.00 175.35 175.02 1nx7 s VAL 29 N 0.46 5.17 -0.19 3.17 1.01 0.29 -0.59 120.40 129.73 1nx7 s VAL 29 Ca 0.53 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 63.14 1nx7 s VAL 29 Cb -0.28 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1nx7 s VAL 29 CO 0.31 0.20 0.01 -0.31 0.00 0.00 0.00 175.10 175.31 1nx7 s TYR 30 N 1.69 3.08 -0.65 5.22 1.51 0.42 -1.13 117.35 127.48 1nx7 s TYR 30 Ca 0.18 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1nx7 s TYR 30 Cb -0.15 -2.06 0.14 0.00 -0.11 0.00 0.00 41.96 39.79 1nx7 s TYR 30 CO 0.09 -0.10 2.53 -0.40 -1.11 0.00 0.00 175.55 176.55 1nx7 n ASP 31 N 3.93 6.91 0.00 2.29 5.75 -0.08 -1.49 116.55 133.86 1nx7 n ASP 31 Ca -0.17 -3.36 0.01 0.00 -0.01 0.00 0.00 54.79 51.25 1nx7 n ASP 31 Cb 0.52 -1.21 0.04 0.00 -1.03 0.00 0.00 41.12 39.44 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 0.60 0.00 -0.34 -2.12 4.77 -0.88 -4.16 117.00 114.87 1nx7 n LEU 32 Ca 0.51 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.74 1nx7 n LEU 32 Cb 0.44 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.04 1nx7 n LEU 32 CO 0.41 0.00 1.21 0.74 -1.33 0.00 0.00 177.39 178.42 1nx7 h THR 33 N 0.00 0.45 0.05 -5.08 2.02 -1.61 0.22 112.91 108.96 1nx7 h THR 33 Ca 0.00 -0.13 -0.34 0.00 0.77 0.00 0.00 66.41 66.71 1nx7 h THR 33 Cb 0.00 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.42 1nx7 h THR 33 CO 0.00 0.07 -2.01 0.29 0.37 0.00 0.00 175.52 174.24 1nx7 n LYS 34 N -4.69 0.69 0.19 6.66 5.02 -1.26 -4.46 118.16 120.31 1nx7 n LYS 34 Ca 0.28 0.23 0.16 0.00 -2.02 0.00 0.00 58.31 56.95 1nx7 n LYS 34 Cb 0.95 -1.69 0.78 0.00 -0.02 0.00 0.00 35.03 35.05 1nx7 n LYS 34 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1nx7 h PHE 35 N 0.03 0.00 -0.51 2.13 3.57 -0.91 -1.25 116.94 119.99 1nx7 h PHE 35 Ca -0.41 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.18 1nx7 h PHE 35 Cb 2.04 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 40.68 1nx7 h PHE 35 CO 0.04 0.00 -0.16 1.28 -2.23 0.00 0.00 178.31 177.24 1nx7 n LEU 36 N -4.03 -0.24 0.05 0.59 4.77 -0.38 -0.51 117.00 117.25 1nx7 n LEU 36 Ca 0.02 0.89 -0.14 0.00 -0.03 0.00 0.00 56.01 56.75 1nx7 n LEU 36 Cb 0.30 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1nx7 n LEU 36 CO 0.30 -0.83 0.24 -0.33 -1.33 0.00 0.00 177.39 175.44 1nx7 h GLU 37 N 0.00 0.49 0.21 3.23 5.08 -1.54 -3.06 114.58 119.00 1nx7 h GLU 37 Ca 0.22 -0.47 -0.32 0.00 -1.00 0.00 0.00 59.36 57.80 1nx7 h GLU 37 Cb 0.35 0.12 0.03 0.00 0.50 0.00 0.00 28.75 29.74 1nx7 h GLU 37 CO -0.52 1.11 -1.40 0.93 -1.00 0.00 0.00 179.01 178.13 1nx7 h GLU 38 N 0.31 0.44 -6.43 2.33 4.39 -1.15 -3.48 114.58 110.99 1nx7 h GLU 38 Ca -0.07 -0.76 -0.57 0.00 0.34 0.00 0.00 59.36 58.31 1nx7 h GLU 38 Cb 1.48 0.28 0.04 0.00 -0.10 0.00 0.00 28.75 30.45 1nx7 h GLU 38 CO 0.16 1.36 1.04 1.58 -1.16 0.00 0.00 179.01 181.99 1nx7 n HIS 39 N -3.65 2.45 0.18 4.33 -0.00 0.34 -4.89 115.22 113.98 1nx7 n HIS 39 Ca -0.14 -0.02 0.13 0.00 0.46 0.00 0.00 57.72 58.15 1nx7 n HIS 39 Cb 1.08 -2.67 0.70 0.00 -0.12 0.00 0.00 29.99 28.97 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 8.22 0.00 -0.52 1.57 0.13 -1.91 0.17 132.00 139.65 1nx7 h PRO 40 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nx7 h PRO 40 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nx7 h PRO 40 CO 0.93 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 1nx7 n GLY 41 N -1.54 0.67 6.21 1.56 0.00 -1.26 -5.03 105.19 105.80 1nx7 n GLY 41 Ca 0.01 -0.16 0.01 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 0.42 -1.66 0.13 -0.02 0.00 0.59 -4.59 105.19 100.05 1nx7 n GLY 42 Ca 0.05 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.06 0.61 -0.21 1.61 0.00 -1.15 -4.53 120.64 115.91 1nx7 n GLU 43 Ca 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 57.16 57.46 1nx7 n GLU 43 Cb 0.04 -1.60 -0.00 0.00 0.00 0.00 0.00 31.44 29.87 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 -0.78 -0.17 0.00 3.44 4.81 -1.90 0.16 114.58 120.15 1nx7 h GLU 44 Ca -0.54 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1nx7 h GLU 44 Cb 1.59 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 1nx7 h GLU 44 CO -0.26 -0.11 -0.11 -0.24 -0.73 0.00 0.00 179.01 177.55 1nx7 h VAL 45 N -0.17 1.01 0.15 0.32 3.04 -1.83 0.14 116.25 118.90 1nx7 h VAL 45 Ca 0.22 -0.39 -0.23 0.00 -1.01 0.00 0.00 66.70 65.30 1nx7 h VAL 45 Cb 0.56 1.21 0.03 0.00 -2.01 0.00 0.00 31.29 31.07 1nx7 h VAL 45 CO -0.69 0.11 -0.98 -0.07 -1.01 0.00 0.00 177.57 174.93 1nx7 h LEU 46 N 0.00 0.61 -0.48 3.16 3.38 -1.04 -2.98 115.31 117.96 1nx7 h LEU 46 Ca -0.00 -0.91 0.08 0.00 0.09 0.00 0.00 57.88 57.14 1nx7 h LEU 46 Cb 0.20 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1nx7 h LEU 46 CO 0.01 1.46 0.11 -0.09 0.09 0.00 0.00 178.44 180.03 1nx7 h ARG 47 N -0.15 0.25 -0.70 1.13 2.43 -0.24 0.92 114.38 118.01 1nx7 h ARG 47 Ca -0.16 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.10 1nx7 h ARG 47 Cb 1.74 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 31.16 1nx7 h ARG 47 CO 0.18 0.16 0.31 0.93 -1.51 0.00 0.00 179.97 180.05 1nx7 h GLU 48 N 0.26 0.50 0.00 0.20 5.08 -0.78 0.37 114.58 120.21 1nx7 h GLU 48 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1nx7 h GLU 48 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1nx7 h GLU 48 CO -0.30 0.33 0.00 1.04 -1.00 0.00 0.00 179.01 179.08 1nx7 n GLN 49 N -4.93 0.17 -1.79 2.33 1.13 -0.79 -4.92 117.38 108.58 1nx7 n GLN 49 Ca 0.12 0.09 -0.41 0.00 -1.94 0.00 0.00 57.00 54.85 1nx7 n GLN 49 Cb 0.32 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.16 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 -2.78 3.66 -0.58 -1.58 0.00 0.25 -2.53 121.76 118.21 1nx7 s ALA 50 Ca 0.17 1.58 -0.01 0.00 0.00 0.00 0.00 51.96 53.70 1nx7 s ALA 50 Cb 0.15 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1nx7 s ALA 50 CO 0.38 -1.03 0.13 0.41 0.00 0.00 0.00 175.76 175.66 1nx7 n GLY 51 N 1.31 0.18 3.81 0.00 0.00 0.63 -4.85 105.19 106.28 1nx7 n GLY 51 Ca 0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.81 -0.14 -0.30 -0.02 0.00 -1.05 -4.11 107.32 98.89 1nx7 s GLY 52 Ca 0.07 -0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.39 1nx7 s GLY 52 CO 0.08 0.00 2.06 0.51 0.00 0.00 0.00 173.10 175.75 1nx7 s ASP 53 N -2.95 5.52 -0.23 1.64 -4.77 -1.26 -0.89 116.67 113.73 1nx7 s ASP 53 Ca 0.12 1.52 0.14 0.00 -3.30 0.00 0.00 52.55 51.04 1nx7 s ASP 53 Cb -0.04 -2.52 0.74 0.00 -1.09 0.00 0.00 42.92 40.02 1nx7 s ASP 53 CO 0.05 -1.96 1.67 0.00 0.70 0.00 0.00 175.17 175.63 1nx7 n ALA 54 N 11.57 3.76 -0.09 2.11 0.00 0.70 -4.51 120.51 134.04 1nx7 n ALA 54 Ca 0.27 -2.10 -0.09 0.00 0.00 0.00 0.00 53.44 51.53 1nx7 n ALA 54 Cb 0.47 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 1nx7 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nx7 h THR 55 N 3.24 0.22 -0.10 0.00 2.02 -0.97 0.10 112.91 117.43 1nx7 h THR 55 Ca 0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1nx7 h THR 55 Cb 1.89 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1nx7 h THR 55 CO 0.45 0.00 -0.06 1.21 0.37 0.00 0.00 175.52 177.50 1nx7 n GLU 56 N -5.42 -0.04 -0.14 6.66 0.00 -1.26 -0.61 120.64 119.82 1nx7 n GLU 56 Ca -0.00 0.88 -0.06 0.00 0.00 0.00 0.00 57.16 57.97 1nx7 n GLU 56 Cb 0.34 -1.31 0.02 0.00 0.00 0.00 0.00 31.44 30.49 1nx7 n GLU 56 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1nx7 h ASN 57 N 0.00 0.41 -0.17 4.31 -0.00 -1.60 0.17 115.58 118.70 1nx7 h ASN 57 Ca 0.02 0.01 0.01 0.00 -0.00 0.00 0.00 56.30 56.33 1nx7 h ASN 57 Cb 0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 38.27 1nx7 h ASN 57 CO -0.09 0.30 0.08 0.15 -0.00 0.00 0.00 177.43 177.86 1nx7 h PHE 58 N 0.52 0.14 0.00 0.67 3.57 -0.46 -1.51 116.94 119.87 1nx7 h PHE 58 Ca 0.18 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.46 1nx7 h PHE 58 Cb 0.03 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1nx7 h PHE 58 CO -0.07 0.08 -0.95 0.93 -2.23 0.00 0.00 178.31 176.07 1nx7 h GLU 59 N 0.17 0.41 -0.02 1.11 4.39 -0.06 -0.62 114.58 119.97 1nx7 h GLU 59 Ca 0.07 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 59.32 1nx7 h GLU 59 Cb 0.02 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1nx7 h GLU 59 CO -0.06 1.11 0.00 0.22 -1.16 0.00 0.00 179.01 179.12 1nx7 h ASP 60 N 0.23 0.03 -0.67 1.42 1.82 -0.74 -2.48 116.42 116.03 1nx7 h ASP 60 Ca -0.08 -0.30 0.07 0.00 -0.39 0.00 0.00 57.03 56.33 1nx7 h ASP 60 Cb 1.59 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 41.55 1nx7 h ASP 60 CO 0.16 0.32 0.44 0.58 -1.61 0.00 0.00 179.24 179.13 1nx7 h VAL 61 N -0.26 0.98 -2.84 2.25 2.07 -1.27 -3.47 116.25 113.71 1nx7 h VAL 61 Ca 0.00 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1nx7 h VAL 61 Cb 0.30 0.29 0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1nx7 h VAL 61 CO 0.00 0.12 -0.13 0.61 0.02 0.00 0.00 177.57 178.19 1nx7 n GLY 62 N -1.47 0.40 3.61 2.17 0.00 -0.24 -4.95 105.19 104.70 1nx7 n GLY 62 Ca 0.10 -0.31 -0.47 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.59 1.56 -1.40 1.61 8.25 -1.20 -4.93 115.22 117.53 1nx7 n HIS 63 Ca -0.04 0.61 -0.36 0.00 -0.26 0.00 0.00 57.72 57.67 1nx7 n HIS 63 Cb 0.52 -2.33 0.08 0.00 1.12 0.00 0.00 29.99 29.39 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 1.91 0.61 -0.11 0.41 7.64 -1.26 -4.54 113.62 118.28 1nx7 n SER 64 Ca 0.13 0.69 -0.11 0.00 1.01 0.00 0.00 58.87 60.59 1nx7 n SER 64 Cb 0.28 -1.42 -0.08 0.00 -1.01 0.00 0.00 64.21 61.98 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 -0.15 0.00 -0.96 0.44 2.02 -1.99 0.24 112.91 112.51 1nx7 h THR 65 Ca -0.48 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.00 1nx7 h THR 65 Cb 1.34 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.58 1nx7 h THR 65 CO 0.48 0.00 0.24 0.44 0.37 0.00 0.00 175.52 177.05 1nx7 h ASP 66 N -0.32 -0.09 -0.13 4.18 5.19 -1.97 0.91 116.42 124.19 1nx7 h ASP 66 Ca 0.06 0.25 -0.20 0.00 -0.62 0.00 0.00 57.03 56.51 1nx7 h ASP 66 Cb 0.48 0.35 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1nx7 h ASP 66 CO -0.48 -0.30 -0.67 0.00 -3.12 0.00 0.00 179.24 174.66 1nx7 h ALA 67 N 1.92 0.43 -0.11 3.45 0.00 -0.98 0.33 119.26 124.31 1nx7 h ALA 67 Ca 0.65 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1nx7 h ALA 67 Cb 1.46 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1nx7 h ALA 67 CO -0.79 0.69 -0.10 -0.09 0.00 0.00 0.00 179.25 178.96 1nx7 h ARG 68 N 0.54 -0.12 0.00 0.00 2.43 0.43 -0.76 114.38 116.90 1nx7 h ARG 68 Ca -0.02 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1nx7 h ARG 68 Cb 1.28 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1nx7 h ARG 68 CO 0.14 -0.08 -0.24 0.93 -1.51 0.00 0.00 179.97 179.20 1nx7 h GLU 69 N -0.13 0.00 -0.16 0.20 4.39 -0.45 -2.08 114.58 116.35 1nx7 h GLU 69 Ca 0.08 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1nx7 h GLU 69 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1nx7 h GLU 69 CO -0.19 0.24 -0.00 1.25 -1.16 0.00 0.00 179.01 179.15 1nx7 h LEU 70 N 0.00 0.28 -0.97 1.33 5.85 -0.20 -3.33 115.31 118.27 1nx7 h LEU 70 Ca -0.00 -0.31 0.39 0.00 0.84 0.00 0.00 57.88 58.79 1nx7 h LEU 70 Cb 0.99 -0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.77 1nx7 h LEU 70 CO 0.03 0.53 0.44 -1.54 -0.34 0.00 0.00 178.44 177.56 1nx7 n SER 71 N -4.74 0.27 -0.35 1.25 3.41 -0.31 -1.52 113.62 111.64 1nx7 n SER 71 Ca -0.05 1.62 0.24 0.00 -0.26 0.00 0.00 58.87 60.42 1nx7 n SER 71 Cb 0.22 -0.76 0.51 0.00 -0.26 0.00 0.00 64.21 63.92 1nx7 n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nx7 h LYS 72 N 0.00 0.35 0.00 4.33 1.79 -1.67 0.23 116.57 121.60 1nx7 h LYS 72 Ca 0.79 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.24 1nx7 h LYS 72 Cb 2.03 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.60 1nx7 h LYS 72 CO -0.78 0.23 0.21 1.79 -1.08 0.00 0.00 179.45 179.82 1nx7 h THR 73 N 0.36 0.00 -0.28 -0.16 1.35 -1.54 -1.24 112.91 111.41 1nx7 h THR 73 Ca 0.65 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.51 1nx7 h THR 73 Cb 1.65 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1nx7 h THR 73 CO -0.37 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.39 1nx7 n PHE 74 N -2.91 0.35 -2.47 4.73 3.72 0.07 -4.96 117.46 116.00 1nx7 n PHE 74 Ca -0.02 -0.27 -0.43 0.00 -0.05 0.00 0.00 57.45 56.68 1nx7 n PHE 74 Cb 0.26 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.15 4.18 -0.17 4.37 1.01 -0.47 -0.90 121.20 128.07 1nx7 s ILE 75 Ca 0.26 1.31 0.18 0.00 0.00 0.00 0.00 60.65 62.41 1nx7 s ILE 75 Cb 0.15 -4.25 -0.26 0.00 0.01 0.00 0.00 42.46 38.11 1nx7 s ILE 75 CO 0.21 -0.56 0.15 2.30 0.00 0.00 0.00 174.94 177.04 1nx7 n ILE 76 N 6.32 1.22 -2.73 2.92 -5.35 -0.28 -4.98 119.36 116.48 1nx7 n ILE 76 Ca 0.14 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 1nx7 n ILE 76 Cb 0.47 -0.42 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 1.68 2.39 3.48 3.28 0.00 -1.14 -2.43 105.19 112.45 1nx7 n GLY 77 Ca -0.29 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.08 1.14 -0.32 1.61 2.12 -0.35 -0.55 118.70 121.27 1nx7 s GLU 78 Ca 0.00 -0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.03 1nx7 s GLU 78 Cb 0.00 0.53 -0.07 0.00 0.26 0.00 0.00 34.13 34.85 1nx7 s GLU 78 CO 0.00 -0.41 2.28 -0.11 -0.54 0.00 0.00 175.26 176.47 1nx7 n LEU 79 N 0.44 2.80 -2.68 2.70 7.94 0.12 0.05 117.00 128.36 1nx7 n LEU 79 Ca -0.18 0.07 -0.31 0.00 -1.11 0.00 0.00 56.01 54.47 1nx7 n LEU 79 Cb 0.60 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 43.02 1nx7 n LEU 79 CO 0.20 -0.90 0.11 1.57 -1.11 0.00 0.00 177.39 177.26 1nx7 n HIS 80 N 12.39 -0.06 0.01 1.96 -0.00 0.21 -4.71 115.22 125.01 1nx7 n HIS 80 Ca 0.34 0.60 0.00 0.00 -0.00 0.00 0.00 57.72 58.67 1nx7 n HIS 80 Cb 0.43 -1.21 0.00 0.00 -0.00 0.00 0.00 29.99 29.21 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 0.71 0.00 -0.01 1.57 -0.04 -1.26 -0.37 135.00 135.60 1nx7 n PRO 81 Ca 0.11 0.31 -0.04 0.00 -0.04 0.00 0.00 63.50 63.84 1nx7 n PRO 81 Cb 0.12 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.31 0.69 -1.16 3.54 2.03 -1.26 -4.14 116.55 114.95 1nx7 n ASP 82 Ca 0.00 0.32 0.07 0.00 0.52 0.00 0.00 54.79 55.70 1nx7 n ASP 82 Cb 0.00 0.30 0.26 0.00 -0.72 0.00 0.00 41.12 40.96 1nx7 n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1nx7 n ASP 83 N -2.89 3.37 0.00 1.67 -0.08 0.50 -5.19 116.55 113.94 1nx7 n ASP 83 Ca -0.15 -2.21 0.00 0.00 -1.51 0.00 0.00 54.79 50.91 1nx7 n ASP 83 Cb 0.94 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1nx7 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86