#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 1.60 -2.98 0.00 3.14 -1.26 -4.98 118.33 113.85 1nx7 n VAL 4 Ca 0.00 -0.40 -0.43 0.00 -2.96 0.00 0.00 64.34 60.55 1nx7 n VAL 4 Cb 0.00 -1.95 -0.05 0.00 -1.06 0.00 0.00 33.84 30.78 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 -1.44 3.29 -0.34 1.45 1.02 -1.25 -5.00 119.74 117.46 1nx7 s LYS 5 Ca 0.58 -0.40 -0.28 0.00 0.02 0.00 0.00 55.97 55.89 1nx7 s LYS 5 Cb -0.49 -4.03 -0.04 0.00 -0.52 0.00 0.00 37.83 32.76 1nx7 s LYS 5 CO 0.58 -1.28 2.03 0.71 -0.92 0.00 0.00 175.35 176.46 1nx7 s TYR 6 N 3.34 1.48 -0.16 3.18 2.02 -1.26 -2.73 117.35 123.22 1nx7 s TYR 6 Ca 0.26 0.73 -0.07 0.00 -0.37 0.00 0.00 57.07 57.62 1nx7 s TYR 6 Cb -0.14 -3.98 -0.04 0.00 -0.40 0.00 0.00 41.96 37.39 1nx7 s TYR 6 CO 0.18 -3.23 0.07 0.71 -1.57 0.00 0.00 175.55 171.72 1nx7 s TYR 7 N 8.28 3.32 0.44 2.71 2.02 0.11 -4.64 117.35 129.59 1nx7 s TYR 7 Ca 0.88 0.21 -0.04 0.00 -0.37 0.00 0.00 57.07 57.75 1nx7 s TYR 7 Cb -0.24 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1nx7 s TYR 7 CO 0.32 0.34 0.72 -0.08 -1.57 0.00 0.00 175.55 175.27 1nx7 s THR 8 N -0.11 4.96 0.22 -0.71 -1.32 -1.26 -0.38 115.64 117.03 1nx7 s THR 8 Ca 0.08 0.05 -0.07 0.00 -1.21 0.00 0.00 61.69 60.54 1nx7 s THR 8 Cb -0.12 -3.85 0.36 0.00 -1.51 0.00 0.00 72.50 67.37 1nx7 s THR 8 CO 0.01 -0.74 1.27 0.18 -2.21 0.00 0.00 174.62 173.13 1nx7 n LEU 9 N -2.04 -0.32 -0.08 9.08 4.77 -1.26 0.00 117.00 127.16 1nx7 n LEU 9 Ca -0.01 1.40 -0.02 0.00 -0.03 0.00 0.00 56.01 57.35 1nx7 n LEU 9 Cb 0.55 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1nx7 n LEU 9 CO 0.52 -1.33 0.29 1.21 -1.33 0.00 0.00 177.39 176.74 1nx7 n GLU 10 N -5.31 -0.09 -0.25 3.23 4.07 -1.26 -0.09 120.64 120.94 1nx7 n GLU 10 Ca 0.13 0.69 0.06 0.00 -0.06 0.00 0.00 57.16 57.97 1nx7 n GLU 10 Cb 0.40 -1.02 0.18 0.00 -0.06 0.00 0.00 31.44 30.93 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 0.24 -0.13 5.31 4.39 -0.78 0.11 114.58 123.72 1nx7 h GLU 11 Ca 0.03 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.54 1nx7 h GLU 11 Cb 0.08 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1nx7 h GLU 11 CO -0.18 0.16 -0.67 0.82 -1.16 0.00 0.00 179.01 177.98 1nx7 h ILE 12 N 0.25 1.34 -0.01 3.13 5.03 -1.25 -3.31 117.51 122.70 1nx7 h ILE 12 Ca 0.41 -1.99 -0.11 0.00 -0.12 0.00 0.00 64.86 63.06 1nx7 h ILE 12 Cb 0.71 1.97 -0.01 0.00 -3.03 0.00 0.00 36.82 36.46 1nx7 h ILE 12 CO -0.52 0.61 -0.50 -0.61 -0.68 0.00 0.00 178.15 176.45 1nx7 h GLN 13 N 0.36 0.03 0.00 2.37 4.15 0.20 0.34 115.11 122.57 1nx7 h GLN 13 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1nx7 h GLN 13 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1nx7 h GLN 13 CO 0.12 0.52 0.00 1.63 -1.93 0.00 0.00 178.83 179.17 1nx7 n LYS 14 N -3.95 0.09 -3.43 1.69 5.02 -0.41 -4.18 118.16 113.00 1nx7 n LYS 14 Ca -0.02 0.24 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 1nx7 n LYS 14 Cb 0.52 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.38 1.27 -2.43 2.13 8.25 0.12 -4.87 115.22 118.30 1nx7 n HIS 15 Ca 0.04 -3.81 0.02 0.00 -0.26 0.00 0.00 57.72 53.72 1nx7 n HIS 15 Cb 0.11 -0.32 0.01 0.00 1.12 0.00 0.00 29.99 30.90 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 1.66 0.68 -4.49 0.41 6.94 -0.74 -0.69 115.26 119.03 1nx7 n ASN 16 Ca 0.25 -2.00 -0.25 0.00 -0.02 0.00 0.00 54.58 52.56 1nx7 n ASN 16 Cb 0.45 -0.20 -0.10 0.00 -2.36 0.00 0.00 39.78 37.57 1nx7 n ASN 16 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1nx7 s ASN 17 N -1.90 3.75 0.54 0.53 0.02 0.09 -4.85 114.94 113.13 1nx7 s ASN 17 Ca 0.28 -0.85 0.25 0.00 -1.02 0.00 0.00 52.86 51.52 1nx7 s ASN 17 Cb 0.32 -0.42 1.44 0.00 0.02 0.00 0.00 41.25 42.61 1nx7 s ASN 17 CO -0.14 0.08 2.03 0.28 0.02 0.00 0.00 177.10 179.37 1nx7 h SER 18 N 2.68 0.00 -0.06 -1.22 0.02 -1.99 0.24 113.55 113.23 1nx7 h SER 18 Ca -0.44 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.46 1nx7 h SER 18 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1nx7 h SER 18 CO 0.55 0.00 -0.10 0.50 -1.14 0.00 0.00 176.83 176.64 1nx7 h LYS 19 N 0.00 0.34 -1.13 3.45 3.64 -1.98 -3.44 116.57 117.46 1nx7 h LYS 19 Ca 0.18 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1nx7 h LYS 19 Cb 0.78 -0.05 -0.22 0.00 -0.41 0.00 0.00 32.23 32.33 1nx7 h LYS 19 CO -0.00 0.45 -0.38 -1.12 -2.27 0.00 0.00 179.45 176.13 1nx7 s SER 20 N -6.83 -1.25 -0.52 4.20 0.01 0.84 -5.02 113.70 105.14 1nx7 s SER 20 Ca -0.06 0.26 -0.08 0.00 1.31 0.00 0.00 55.95 57.37 1nx7 s SER 20 Cb 0.15 1.91 0.13 0.00 0.21 0.00 0.00 66.02 68.42 1nx7 s SER 20 CO 0.75 -0.30 0.38 -0.89 0.41 0.00 0.00 173.24 173.59 1nx7 s THR 21 N 2.79 4.15 0.08 1.44 2.01 -1.17 -0.73 115.64 124.21 1nx7 s THR 21 Ca 0.12 -2.05 0.01 0.00 0.31 0.00 0.00 61.69 60.08 1nx7 s THR 21 Cb -0.12 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1nx7 s THR 21 CO -0.25 -0.80 0.23 0.26 -0.69 0.00 0.00 174.62 173.36 1nx7 s TRP 22 N 1.02 3.51 0.22 4.92 0.52 0.13 -0.75 118.94 128.52 1nx7 s TRP 22 Ca 0.09 0.21 -0.15 0.00 0.02 0.00 0.00 56.10 56.27 1nx7 s TRP 22 Cb -0.24 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.36 1nx7 s TRP 22 CO -0.02 0.57 0.51 -0.48 0.02 0.00 0.00 176.95 177.54 1nx7 s LEU 23 N -2.71 0.21 -0.14 2.99 0.05 -0.12 -0.19 118.68 118.78 1nx7 s LEU 23 Ca 0.35 -0.68 0.01 0.00 0.05 0.00 0.00 54.13 53.85 1nx7 s LEU 23 Cb -0.12 1.99 -0.00 0.00 -2.05 0.00 0.00 46.19 46.00 1nx7 s LEU 23 CO 0.28 -1.10 -0.16 -0.63 -0.55 0.00 0.00 176.35 174.19 1nx7 s ILE 24 N -3.94 2.65 -0.35 1.48 1.01 -0.22 -0.36 121.20 121.47 1nx7 s ILE 24 Ca 0.14 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1nx7 s ILE 24 Cb -0.01 -2.10 0.11 0.00 0.01 0.00 0.00 42.46 40.47 1nx7 s ILE 24 CO 0.02 0.53 0.12 -0.76 0.00 0.00 0.00 174.94 174.85 1nx7 s LEU 25 N 0.60 2.94 -0.80 2.97 2.01 0.33 -0.31 118.68 126.42 1nx7 s LEU 25 Ca -0.09 -1.98 -0.04 0.00 0.01 0.00 0.00 54.13 52.02 1nx7 s LEU 25 Cb -0.16 -1.09 -0.05 0.00 0.01 0.00 0.00 46.19 44.90 1nx7 s LEU 25 CO 0.03 -0.37 0.69 1.41 1.01 0.00 0.00 176.35 179.12 1nx7 n HIS 26 N 4.41 -1.84 0.00 0.29 8.25 -1.26 -3.39 115.22 121.68 1nx7 n HIS 26 Ca 0.02 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 1nx7 n HIS 26 Cb 0.40 -3.76 0.00 0.00 1.12 0.00 0.00 29.99 27.75 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 -2.83 0.00 -2.31 4.41 4.01 -1.26 -4.93 117.16 114.24 1nx7 n TYR 27 Ca -0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 1nx7 n TYR 27 Cb 0.59 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.58 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 4.50 -0.17 -0.72 -0.14 -1.22 0.04 119.74 122.03 1nx7 s LYS 28 Ca 0.00 1.98 -0.08 0.00 -1.36 0.00 0.00 55.97 56.51 1nx7 s LYS 28 Cb 0.00 -3.16 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 1nx7 s LYS 28 CO 0.00 -0.01 0.11 0.08 -0.76 0.00 0.00 175.35 174.77 1nx7 s VAL 29 N -0.84 5.25 -0.05 3.17 1.01 0.30 -0.52 120.40 128.72 1nx7 s VAL 29 Ca 0.49 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.65 1nx7 s VAL 29 Cb -0.35 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1nx7 s VAL 29 CO 0.44 0.51 -0.23 -0.31 0.00 0.00 0.00 175.10 175.50 1nx7 s TYR 30 N -0.11 2.23 -0.93 5.22 1.51 0.51 -0.94 117.35 124.84 1nx7 s TYR 30 Ca 0.09 -0.64 -0.00 0.00 -1.01 0.00 0.00 57.07 55.51 1nx7 s TYR 30 Cb -0.12 -1.47 0.33 0.00 -0.11 0.00 0.00 41.96 40.59 1nx7 s TYR 30 CO 0.00 -0.19 1.73 -0.40 -1.11 0.00 0.00 175.55 175.59 1nx7 n ASP 31 N 2.95 6.97 0.00 2.29 5.75 -1.12 -0.95 116.55 132.44 1nx7 n ASP 31 Ca -0.17 -3.71 0.02 0.00 -0.01 0.00 0.00 54.79 50.91 1nx7 n ASP 31 Cb 0.52 -1.06 0.11 0.00 -1.03 0.00 0.00 41.12 39.66 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 -0.16 0.00 -0.33 -2.12 4.77 0.07 -4.09 117.00 115.14 1nx7 n LEU 32 Ca 0.46 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.63 1nx7 n LEU 32 Cb 0.28 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.75 1nx7 n LEU 32 CO 0.49 0.00 0.91 0.74 -1.33 0.00 0.00 177.39 178.20 1nx7 h THR 33 N 0.00 0.08 0.00 -5.08 2.02 -1.85 0.33 112.91 108.41 1nx7 h THR 33 Ca 0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1nx7 h THR 33 Cb 0.00 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1nx7 h THR 33 CO 0.00 0.01 -0.89 0.07 0.37 0.00 0.00 175.52 175.08 1nx7 h LYS 34 N 0.06 0.00 0.00 6.66 5.09 -1.92 -3.36 116.57 123.09 1nx7 h LYS 34 Ca 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 61.37 1nx7 h LYS 34 Cb 1.49 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.82 1nx7 h LYS 34 CO -0.82 0.22 -0.16 0.35 -2.09 0.00 0.00 179.45 176.94 1nx7 h PHE 35 N 0.00 0.00 -0.65 0.07 3.57 -0.68 -3.35 116.94 115.90 1nx7 h PHE 35 Ca -0.06 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.52 1nx7 h PHE 35 Cb 1.29 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.94 1nx7 h PHE 35 CO 0.00 0.16 -0.32 1.28 -2.23 0.00 0.00 178.31 177.21 1nx7 n LEU 36 N -3.16 -0.55 0.01 0.59 4.77 -0.52 -0.47 117.00 117.67 1nx7 n LEU 36 Ca 0.03 1.14 -0.11 0.00 -0.03 0.00 0.00 56.01 57.04 1nx7 n LEU 36 Cb 0.55 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1nx7 n LEU 36 CO 0.35 -0.97 0.41 -0.33 -1.33 0.00 0.00 177.39 175.52 1nx7 h GLU 37 N 0.00 0.56 -0.41 3.23 5.08 -1.88 -3.06 114.58 118.10 1nx7 h GLU 37 Ca 0.16 -0.39 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 1nx7 h GLU 37 Cb 0.32 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1nx7 h GLU 37 CO -0.62 1.01 -0.22 0.93 -1.00 0.00 0.00 179.01 179.11 1nx7 h GLU 38 N 0.41 0.87 -6.29 2.33 5.08 -1.16 -3.45 114.58 112.37 1nx7 h GLU 38 Ca -0.01 -0.39 -0.59 0.00 -1.00 0.00 0.00 59.36 57.37 1nx7 h GLU 38 Cb 1.20 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.45 1nx7 h GLU 38 CO 0.12 1.04 1.16 1.58 -1.00 0.00 0.00 179.01 181.90 1nx7 n HIS 39 N -4.20 2.38 0.29 4.33 -0.00 0.38 -4.88 115.22 113.52 1nx7 n HIS 39 Ca -0.01 -0.13 0.14 0.00 0.46 0.00 0.00 57.72 58.17 1nx7 n HIS 39 Cb 0.45 -2.71 0.86 0.00 -0.12 0.00 0.00 29.99 28.46 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 9.83 0.00 -0.62 1.57 0.13 -1.91 0.16 132.00 141.16 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1nx7 h PRO 40 CO 0.95 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 1nx7 n GLY 41 N -1.33 0.91 4.42 1.56 0.00 -1.26 -5.03 105.19 104.46 1nx7 n GLY 41 Ca -0.03 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 0.33 -1.88 0.12 -0.02 0.00 0.56 -4.59 105.19 99.71 1nx7 n GLY 42 Ca 0.04 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.25 0.60 -0.31 1.61 0.00 -1.16 -4.50 120.64 115.63 1nx7 n GLU 43 Ca 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 57.16 57.54 1nx7 n GLU 43 Cb 0.09 -1.67 -0.03 0.00 0.00 0.00 0.00 31.44 29.83 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 -0.82 -0.11 -0.58 3.44 4.81 -1.90 0.68 114.58 120.10 1nx7 h GLU 44 Ca -0.45 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.88 1nx7 h GLU 44 Cb 1.50 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.82 1nx7 h GLU 44 CO -0.22 -0.07 0.15 -0.39 -0.73 0.00 0.00 179.01 177.74 1nx7 h VAL 45 N -0.11 0.69 -0.12 0.32 -1.51 -1.81 0.20 116.25 113.91 1nx7 h VAL 45 Ca 0.22 -0.10 -0.07 0.00 -1.23 0.00 0.00 66.70 65.52 1nx7 h VAL 45 Cb 0.54 0.38 -0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1nx7 h VAL 45 CO -0.83 0.05 -0.19 -0.07 -1.23 0.00 0.00 177.57 175.30 1nx7 h LEU 46 N 0.29 0.37 -1.34 4.19 3.38 -1.22 -0.82 115.31 120.16 1nx7 h LEU 46 Ca 0.30 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1nx7 h LEU 46 Cb 0.42 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1nx7 h LEU 46 CO -0.36 0.84 -0.07 -0.09 0.09 0.00 0.00 178.44 178.85 1nx7 h ARG 47 N -0.08 0.35 -0.11 1.13 1.12 -0.51 0.38 114.38 116.67 1nx7 h ARG 47 Ca 0.01 -0.08 -0.03 0.00 -1.11 0.00 0.00 59.98 58.77 1nx7 h ARG 47 Cb 0.77 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.67 1nx7 h ARG 47 CO 0.04 0.44 -0.07 0.93 -3.11 0.00 0.00 179.97 178.21 1nx7 h GLU 48 N 0.34 0.23 0.00 0.20 5.08 -0.55 -3.20 114.58 116.68 1nx7 h GLU 48 Ca 0.07 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1nx7 h GLU 48 Cb 0.34 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1nx7 h GLU 48 CO 0.02 0.60 -0.05 1.96 -1.00 0.00 0.00 179.01 180.54 1nx7 h GLN 49 N -0.14 0.00 -6.06 2.33 1.08 -0.55 -3.46 115.11 108.31 1nx7 h GLN 49 Ca 0.02 0.00 -0.80 0.00 -1.45 0.00 0.00 58.65 56.42 1nx7 h GLN 49 Cb 0.54 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.01 1nx7 h GLN 49 CO 0.02 0.05 0.46 0.00 -0.95 0.00 0.00 178.83 178.41 1nx7 n ALA 50 N -2.15 -1.95 -1.04 3.87 0.00 0.13 -1.90 120.51 117.47 1nx7 n ALA 50 Ca -0.01 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1nx7 n ALA 50 Cb 0.23 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 2.93 0.64 3.82 0.00 0.00 0.73 -4.65 105.19 108.66 1nx7 n GLY 51 Ca 0.25 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.75 -0.05 0.03 -0.02 0.00 -0.80 -4.15 107.32 99.58 1nx7 s GLY 52 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.16 1nx7 s GLY 52 CO 0.00 0.06 1.33 -0.35 0.00 0.00 0.00 173.10 174.14 1nx7 s ASP 53 N -2.98 6.92 -0.04 1.64 -1.08 -1.26 -1.06 116.67 118.81 1nx7 s ASP 53 Ca 0.13 2.09 0.10 0.00 -0.52 0.00 0.00 52.55 54.35 1nx7 s ASP 53 Cb -0.04 -2.57 0.29 0.00 -1.46 0.00 0.00 42.92 39.14 1nx7 s ASP 53 CO 0.06 -0.63 1.23 0.00 0.52 0.00 0.00 175.17 176.35 1nx7 n ALA 54 N 4.78 2.31 -0.27 3.66 0.00 0.58 -4.73 120.51 126.84 1nx7 n ALA 54 Ca 0.12 -1.43 -0.04 0.00 0.00 0.00 0.00 53.44 52.09 1nx7 n ALA 54 Cb 0.44 -0.40 0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 1.47 0.10 -0.61 0.00 2.02 -1.92 0.20 112.91 114.18 1nx7 h THR 55 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1nx7 h THR 55 Cb 0.84 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 1nx7 h THR 55 CO 0.04 0.00 -0.41 -0.08 0.37 0.00 0.00 175.52 175.45 1nx7 h GLU 56 N -0.10 -0.05 -0.36 6.66 4.57 -1.93 0.24 114.58 123.61 1nx7 h GLU 56 Ca 0.27 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1nx7 h GLU 56 Cb 0.57 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 1nx7 h GLU 56 CO -0.80 -0.04 0.18 -0.97 -1.18 0.00 0.00 179.01 176.21 1nx7 h ASN 57 N -0.06 0.46 -1.00 1.04 -0.73 -1.81 0.89 115.58 114.37 1nx7 h ASN 57 Ca 0.10 -0.11 0.15 0.00 1.87 0.00 0.00 56.30 58.31 1nx7 h ASN 57 Cb 0.31 -0.12 -0.09 0.00 0.27 0.00 0.00 38.32 38.69 1nx7 h ASN 57 CO -0.61 0.44 0.62 0.15 -0.37 0.00 0.00 177.43 177.67 1nx7 h PHE 58 N 0.44 1.10 0.04 0.67 3.57 -0.02 0.35 116.94 123.09 1nx7 h PHE 58 Ca 0.12 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.39 1nx7 h PHE 58 Cb 0.10 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 1nx7 h PHE 58 CO -0.02 0.36 -1.40 0.93 -2.23 0.00 0.00 178.31 175.95 1nx7 h GLU 59 N 0.89 0.09 -0.10 1.11 4.39 -0.10 0.45 114.58 121.31 1nx7 h GLU 59 Ca 0.53 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 60.08 1nx7 h GLU 59 Cb 0.67 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1nx7 h GLU 59 CO -0.31 0.89 0.05 0.22 -1.16 0.00 0.00 179.01 178.70 1nx7 h ASP 60 N 0.02 0.07 0.50 1.42 3.58 -0.45 -1.81 116.42 119.76 1nx7 h ASP 60 Ca -0.17 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.20 1nx7 h ASP 60 Cb 1.93 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.96 1nx7 h ASP 60 CO 0.13 0.06 -0.40 0.58 -2.88 0.00 0.00 179.24 176.72 1nx7 h VAL 61 N 0.11 1.18 0.00 2.25 2.07 -0.97 -3.47 116.25 117.41 1nx7 h VAL 61 Ca 0.04 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1nx7 h VAL 61 Cb 0.01 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1nx7 h VAL 61 CO -0.03 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.57 1nx7 n GLY 62 N -0.22 1.78 1.11 2.17 0.00 0.16 -4.87 105.19 105.32 1nx7 n GLY 62 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.05 -1.39 1.61 8.25 -1.24 -4.65 115.22 114.75 1nx7 n HIS 63 Ca 0.00 1.62 -0.34 0.00 -0.26 0.00 0.00 57.72 58.74 1nx7 n HIS 63 Cb 0.00 -2.76 0.10 0.00 1.12 0.00 0.00 29.99 28.45 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 -2.84 4.09 0.13 0.41 1.04 -1.26 -4.77 113.70 110.50 1nx7 s SER 64 Ca 0.00 2.39 -0.32 0.00 0.48 0.00 0.00 55.95 58.51 1nx7 s SER 64 Cb 0.00 -2.59 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 1nx7 s SER 64 CO 0.00 -2.34 1.53 0.74 0.98 0.00 0.00 173.24 174.16 1nx7 h THR 65 N -0.34 0.00 -0.97 2.02 2.02 -1.99 0.26 112.91 113.90 1nx7 h THR 65 Ca -0.48 0.00 0.28 0.00 0.77 0.00 0.00 66.41 66.99 1nx7 h THR 65 Cb 1.30 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.53 1nx7 h THR 65 CO 0.49 0.00 0.08 0.47 0.37 0.00 0.00 175.52 176.93 1nx7 n ASP 66 N -5.29 -0.06 0.01 4.18 9.92 -1.26 -0.60 116.55 123.45 1nx7 n ASP 66 Ca -0.02 1.64 -0.13 0.00 -0.53 0.00 0.00 54.79 55.75 1nx7 n ASP 66 Cb 0.32 -0.62 -0.01 0.00 -0.64 0.00 0.00 41.12 40.16 1nx7 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nx7 h ALA 67 N 1.94 0.48 -0.10 2.24 0.00 -1.36 0.22 119.26 122.68 1nx7 h ALA 67 Ca 0.62 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nx7 h ALA 67 Cb 1.33 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nx7 h ALA 67 CO -0.89 0.72 0.06 -0.09 0.00 0.00 0.00 179.25 179.05 1nx7 h ARG 68 N 0.43 0.13 -0.45 0.00 2.43 0.50 0.82 114.38 118.23 1nx7 h ARG 68 Ca -0.03 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1nx7 h ARG 68 Cb 1.32 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1nx7 h ARG 68 CO 0.14 0.11 -0.22 0.93 -1.51 0.00 0.00 179.97 179.42 1nx7 h GLU 69 N 0.12 0.93 -0.68 0.20 4.39 -0.56 -1.82 114.58 117.16 1nx7 h GLU 69 Ca 0.04 -0.39 0.06 0.00 0.34 0.00 0.00 59.36 59.41 1nx7 h GLU 69 Cb 0.01 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.56 1nx7 h GLU 69 CO -0.01 1.05 0.38 1.25 -1.16 0.00 0.00 179.01 180.52 1nx7 h LEU 70 N 0.80 0.57 -0.91 1.33 5.85 -0.47 -2.79 115.31 119.69 1nx7 h LEU 70 Ca 0.11 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.03 1nx7 h LEU 70 Cb 0.78 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.62 1nx7 h LEU 70 CO 0.06 0.36 0.49 -1.28 -0.34 0.00 0.00 178.44 177.73 1nx7 h SER 71 N 0.70 0.58 -0.08 1.25 0.87 0.06 -0.47 113.55 116.46 1nx7 h SER 71 Ca 0.31 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.99 1nx7 h SER 71 Cb 0.19 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1nx7 h SER 71 CO -0.18 0.20 0.08 0.11 -0.53 0.00 0.00 176.83 176.51 1nx7 h LYS 72 N 0.63 0.00 0.00 2.24 1.57 -1.36 0.50 116.57 120.16 1nx7 h LYS 72 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1nx7 h LYS 72 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1nx7 h LYS 72 CO -0.39 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.28 1nx7 h THR 73 N 0.00 0.00 -0.33 -0.16 1.35 -1.18 -2.87 112.91 109.72 1nx7 h THR 73 Ca 0.04 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1nx7 h THR 73 Cb 0.19 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1nx7 h THR 73 CO -0.00 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.76 1nx7 n PHE 74 N -2.43 0.97 -2.38 4.73 3.72 0.17 -4.99 117.46 117.24 1nx7 n PHE 74 Ca 0.01 -0.77 -0.42 0.00 -0.05 0.00 0.00 57.45 56.22 1nx7 n PHE 74 Cb 0.19 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.44 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 -2.38 4.06 -0.05 4.37 1.01 -1.09 -2.80 121.20 124.34 1nx7 s ILE 75 Ca 0.40 1.42 0.07 0.00 0.00 0.00 0.00 60.65 62.53 1nx7 s ILE 75 Cb 0.30 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.76 1nx7 s ILE 75 CO 0.12 0.01 0.08 2.30 0.00 0.00 0.00 174.94 177.45 1nx7 n ILE 76 N 4.58 0.29 -2.02 2.92 -5.35 -0.11 -4.99 119.36 114.68 1nx7 n ILE 76 Ca 0.11 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1nx7 n ILE 76 Cb 0.45 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 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 2.35 2.58 3.49 3.28 0.00 -1.13 -3.92 105.19 111.85 1nx7 n GLY 77 Ca -0.08 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 1.20 0.96 0.03 1.61 -6.30 -1.10 -0.54 118.70 114.56 1nx7 s GLU 78 Ca 0.00 -0.18 -0.30 0.00 -2.50 0.00 0.00 54.97 51.98 1nx7 s GLU 78 Cb 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 34.13 34.48 1nx7 s GLU 78 CO 0.00 -0.39 1.97 -0.11 0.02 0.00 0.00 175.26 176.75 1nx7 n LEU 79 N 0.07 4.13 -4.50 2.70 7.94 0.11 0.07 117.00 127.52 1nx7 n LEU 79 Ca -0.13 0.91 -0.55 0.00 -1.11 0.00 0.00 56.01 55.13 1nx7 n LEU 79 Cb 0.61 -1.52 -0.06 0.00 0.53 0.00 0.00 43.42 42.98 1nx7 n LEU 79 CO 0.14 0.19 0.49 1.57 -1.11 0.00 0.00 177.39 178.67 1nx7 n HIS 80 N 7.43 0.56 0.21 1.96 -0.00 0.49 -4.65 115.22 121.22 1nx7 n HIS 80 Ca 0.20 0.95 0.02 0.00 -0.00 0.00 0.00 57.72 58.89 1nx7 n HIS 80 Cb 0.40 -2.11 0.10 0.00 -0.00 0.00 0.00 29.99 28.38 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 1.51 0.10 -0.10 1.57 -0.04 -1.26 -0.39 135.00 136.40 1nx7 n PRO 81 Ca 0.19 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.58 1nx7 n PRO 81 Cb 0.15 -1.50 -0.15 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 -1.03 0.26 -0.00 3.54 2.03 -1.26 -4.74 116.55 115.34 1nx7 n ASP 82 Ca 0.03 -0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.33 1nx7 n ASP 82 Cb 0.01 0.96 -0.00 0.00 -0.72 0.00 0.00 41.12 41.37 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 -0.05 0.00 1.67 1.82 -1.05 -3.54 116.42 115.28 1nx7 h ASP 83 Ca -0.52 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 1nx7 h ASP 83 Cb 2.19 0.01 0.00 0.00 0.68 0.00 0.00 39.33 42.21 1nx7 h ASP 83 CO 0.03 0.19 0.00 0.54 -1.61 0.00 0.00 179.24 178.39