#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nx7 s VAL 4 N 0.00 -0.01 -0.60 0.00 0.11 -1.26 -5.01 120.40 113.64 1nx7 s VAL 4 Ca 0.00 0.04 -0.23 0.00 -2.93 0.00 0.00 61.98 58.86 1nx7 s VAL 4 Cb 0.00 -0.21 0.06 0.00 -1.53 0.00 0.00 36.38 34.70 1nx7 s VAL 4 CO 0.00 0.01 0.91 -0.54 -3.33 0.00 0.00 175.10 172.15 1nx7 s LYS 5 N 0.30 3.20 -0.36 1.54 1.02 -1.23 -4.93 119.74 119.26 1nx7 s LYS 5 Ca -0.02 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.06 1nx7 s LYS 5 Cb -0.03 -4.14 -0.02 0.00 -0.52 0.00 0.00 37.83 33.12 1nx7 s LYS 5 CO -0.01 -1.61 1.77 0.71 -0.92 0.00 0.00 175.35 175.30 1nx7 s TYR 6 N 3.81 1.84 -0.07 3.18 2.02 -1.26 -2.22 117.35 124.66 1nx7 s TYR 6 Ca 0.24 0.65 0.02 0.00 -0.37 0.00 0.00 57.07 57.61 1nx7 s TYR 6 Cb -0.16 -4.14 -0.03 0.00 -0.40 0.00 0.00 41.96 37.24 1nx7 s TYR 6 CO 0.14 -2.80 -0.09 0.71 -1.57 0.00 0.00 175.55 171.94 1nx7 s TYR 7 N 7.00 2.87 0.40 2.71 2.02 0.83 -4.72 117.35 128.46 1nx7 s TYR 7 Ca 0.77 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 57.44 1nx7 s TYR 7 Cb -0.21 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1nx7 s TYR 7 CO 0.32 0.27 0.60 -0.08 -1.57 0.00 0.00 175.55 175.09 1nx7 s THR 8 N -0.74 4.25 0.29 -0.71 -1.32 -1.26 -0.35 115.64 115.80 1nx7 s THR 8 Ca 0.11 -0.61 0.02 0.00 -1.21 0.00 0.00 61.69 60.00 1nx7 s THR 8 Cb -0.11 -3.54 0.39 0.00 -1.51 0.00 0.00 72.50 67.73 1nx7 s THR 8 CO 0.01 -0.34 1.46 0.18 -2.21 0.00 0.00 174.62 173.73 1nx7 n LEU 9 N -1.92 -0.11 -0.12 9.08 4.77 -1.26 -0.73 117.00 126.71 1nx7 n LEU 9 Ca -0.00 1.59 -0.05 0.00 -0.03 0.00 0.00 56.01 57.51 1nx7 n LEU 9 Cb 0.57 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1nx7 n LEU 9 CO 0.46 -1.61 0.50 -0.08 -1.33 0.00 0.00 177.39 175.33 1nx7 h GLU 10 N 0.00 -0.08 -0.85 3.23 4.57 -1.96 0.31 114.58 119.79 1nx7 h GLU 10 Ca 0.57 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.95 1nx7 h GLU 10 Cb 1.17 0.02 -0.16 0.00 -0.16 0.00 0.00 28.75 29.63 1nx7 h GLU 10 CO -0.88 -0.06 -0.05 0.93 -1.18 0.00 0.00 179.01 177.78 1nx7 h GLU 11 N -0.09 0.05 -0.64 1.92 4.39 -1.30 0.23 114.58 119.14 1nx7 h GLU 11 Ca 0.05 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1nx7 h GLU 11 Cb 0.22 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1nx7 h GLU 11 CO -0.33 0.03 0.16 0.82 -1.16 0.00 0.00 179.01 178.53 1nx7 h ILE 12 N 0.05 1.25 -0.54 3.13 5.03 -0.89 -3.26 117.51 122.29 1nx7 h ILE 12 Ca 0.47 -0.92 -0.06 0.00 -0.12 0.00 0.00 64.86 64.22 1nx7 h ILE 12 Cb 0.84 0.63 -0.02 0.00 -3.03 0.00 0.00 36.82 35.24 1nx7 h ILE 12 CO -0.80 0.35 0.08 -0.61 -0.68 0.00 0.00 178.15 176.49 1nx7 h GLN 13 N 0.94 0.87 -0.20 2.37 4.15 0.28 0.17 115.11 123.69 1nx7 h GLN 13 Ca 0.20 -0.21 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1nx7 h GLN 13 Cb 0.35 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1nx7 h GLN 13 CO 0.00 0.82 0.21 0.87 -1.93 0.00 0.00 178.83 178.80 1nx7 h LYS 14 N 0.82 0.00 -2.64 1.69 1.57 -1.27 -3.35 116.57 113.39 1nx7 h LYS 14 Ca 0.17 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.24 1nx7 h LYS 14 Cb 0.38 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.35 1nx7 h LYS 14 CO 0.01 0.00 0.15 0.72 -0.57 0.00 0.00 179.45 179.76 1nx7 n HIS 15 N -3.83 2.98 -2.09 -1.35 8.25 0.58 -4.70 115.22 115.06 1nx7 n HIS 15 Ca 0.02 -3.34 -0.06 0.00 -0.26 0.00 0.00 57.72 54.07 1nx7 n HIS 15 Cb 0.34 -0.96 -0.05 0.00 1.12 0.00 0.00 29.99 30.44 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 1.18 -0.95 -3.97 0.41 6.94 0.03 -0.42 115.26 118.48 1nx7 n ASN 16 Ca 0.27 -2.02 -0.11 0.00 -0.02 0.00 0.00 54.58 52.71 1nx7 n ASN 16 Cb 0.37 0.31 -0.12 0.00 -2.36 0.00 0.00 39.78 37.98 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 -1.07 0.32 0.00 0.53 0.01 0.67 -4.83 114.94 110.56 1nx7 s ASN 17 Ca 0.02 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 1nx7 s ASN 17 Cb 0.06 0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.78 1nx7 s ASN 17 CO -0.02 -0.21 0.00 -0.24 -1.51 0.00 0.00 177.10 175.12 1nx7 n SER 18 N 1.91 0.00 0.00 -1.22 2.88 -1.26 -1.68 113.62 114.25 1nx7 n SER 18 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1nx7 n SER 18 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 0.00 -1.51 -1.46 4.81 -1.26 -5.03 118.16 113.71 1nx7 n LYS 19 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1nx7 n LYS 19 Cb 0.00 -0.59 -0.13 0.00 0.02 0.00 0.00 35.03 34.33 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 -2.26 0.67 -3.67 3.14 7.64 -0.68 -4.48 113.62 113.97 1nx7 n SER 20 Ca 0.00 0.05 -0.27 0.00 1.01 0.00 0.00 58.87 59.67 1nx7 n SER 20 Cb 0.26 -1.04 -0.17 0.00 -1.01 0.00 0.00 64.21 62.24 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 9.59 0.22 0.19 0.44 2.01 -1.24 -0.24 115.64 126.62 1nx7 s THR 21 Ca 1.29 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 63.03 1nx7 s THR 21 Cb -1.06 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1nx7 s THR 21 CO 0.45 -0.23 -0.04 0.26 -0.69 0.00 0.00 174.62 174.36 1nx7 s TRP 22 N 2.00 2.73 0.26 4.92 0.52 0.44 -0.16 118.94 129.66 1nx7 s TRP 22 Ca 0.01 -0.19 -0.17 0.00 0.02 0.00 0.00 56.10 55.77 1nx7 s TRP 22 Cb -0.16 -1.31 0.01 0.00 -1.15 0.00 0.00 33.47 30.85 1nx7 s TRP 22 CO -0.08 0.53 0.58 -0.48 0.02 0.00 0.00 176.95 177.52 1nx7 s LEU 23 N -3.01 0.06 -0.16 2.99 0.05 -0.84 -0.30 118.68 117.47 1nx7 s LEU 23 Ca 0.27 -0.77 0.01 0.00 0.05 0.00 0.00 54.13 53.69 1nx7 s LEU 23 Cb -0.09 2.20 0.02 0.00 -2.05 0.00 0.00 46.19 46.27 1nx7 s LEU 23 CO 0.17 -1.23 -0.18 -0.63 -0.55 0.00 0.00 176.35 173.94 1nx7 s ILE 24 N -3.97 1.86 -0.40 1.48 1.01 -0.23 -0.49 121.20 120.47 1nx7 s ILE 24 Ca 0.17 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1nx7 s ILE 24 Cb -0.03 -1.69 0.11 0.00 0.01 0.00 0.00 42.46 40.86 1nx7 s ILE 24 CO 0.08 0.51 0.12 -0.76 0.00 0.00 0.00 174.94 174.88 1nx7 s LEU 25 N 1.26 4.63 -0.84 2.97 1.02 0.09 -0.29 118.68 127.52 1nx7 s LEU 25 Ca 0.02 -2.43 -0.03 0.00 0.02 0.00 0.00 54.13 51.71 1nx7 s LEU 25 Cb -0.13 -1.64 -0.01 0.00 0.02 0.00 0.00 46.19 44.43 1nx7 s LEU 25 CO -0.10 -0.33 0.73 1.41 0.02 0.00 0.00 176.35 178.08 1nx7 n HIS 26 N 3.89 -2.65 0.00 0.29 8.25 -1.26 -3.08 115.22 120.66 1nx7 n HIS 26 Ca 0.04 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.48 1nx7 n HIS 26 Cb 0.39 -3.85 0.00 0.00 1.12 0.00 0.00 29.99 27.65 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 -2.38 0.00 -2.97 4.41 4.01 -1.26 -4.94 117.16 114.03 1nx7 n TYR 27 Ca -0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.31 1nx7 n TYR 27 Cb 0.56 -0.10 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 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 4.37 -0.24 -0.72 1.02 -1.18 0.05 119.74 123.05 1nx7 s LYS 28 Ca 0.00 1.04 -0.08 0.00 0.02 0.00 0.00 55.97 56.96 1nx7 s LYS 28 Cb 0.00 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 1nx7 s LYS 28 CO 0.00 0.33 0.08 0.08 -0.92 0.00 0.00 175.35 174.91 1nx7 s VAL 29 N -1.60 4.47 -0.21 3.17 1.01 0.20 -0.73 120.40 126.71 1nx7 s VAL 29 Ca 0.47 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 1nx7 s VAL 29 Cb -0.17 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1nx7 s VAL 29 CO 0.22 0.36 0.01 -0.31 0.00 0.00 0.00 175.10 175.37 1nx7 s TYR 30 N 1.37 3.04 -0.75 5.22 1.51 0.36 -1.25 117.35 126.85 1nx7 s TYR 30 Ca 0.05 -0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 55.57 1nx7 s TYR 30 Cb -0.15 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1nx7 s TYR 30 CO 0.04 -0.29 2.95 -0.40 -1.11 0.00 0.00 175.55 176.75 1nx7 n ASP 31 N 4.42 6.94 0.00 2.29 5.75 -0.02 -1.98 116.55 133.95 1nx7 n ASP 31 Ca -0.17 -2.88 0.08 0.00 -0.01 0.00 0.00 54.79 51.81 1nx7 n ASP 31 Cb 0.52 -1.37 0.41 0.00 -1.03 0.00 0.00 41.12 39.64 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 0.00 -0.26 -2.12 4.77 -0.65 -2.84 117.00 117.93 1nx7 n LEU 32 Ca 0.56 0.20 0.18 0.00 -0.03 0.00 0.00 56.01 56.92 1nx7 n LEU 32 Cb 0.52 -0.20 0.33 0.00 -2.33 0.00 0.00 43.42 41.74 1nx7 n LEU 32 CO 0.46 -0.10 0.71 0.41 -1.33 0.00 0.00 177.39 177.54 1nx7 n THR 33 N -1.20 -0.33 0.92 -5.08 -1.04 0.78 0.18 114.28 108.52 1nx7 n THR 33 Ca 0.09 1.65 0.12 0.00 -2.04 0.00 0.00 64.05 63.86 1nx7 n THR 33 Cb 0.10 -2.53 0.16 0.00 -1.82 0.00 0.00 70.33 66.24 1nx7 n THR 33 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1nx7 n LYS 34 N -4.94 0.05 -0.04 -2.82 -0.00 -1.13 -4.37 118.16 104.92 1nx7 n LYS 34 Ca 0.23 0.01 0.02 0.00 -0.00 0.00 0.00 58.31 58.57 1nx7 n LYS 34 Cb 0.78 -1.52 -0.15 0.00 -0.00 0.00 0.00 35.03 34.14 1nx7 n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1nx7 n PHE 35 N -1.60 0.13 -0.28 5.58 7.35 0.13 -4.61 117.46 124.16 1nx7 n PHE 35 Ca 0.05 0.04 -0.03 0.00 -0.76 0.00 0.00 57.45 56.75 1nx7 n PHE 35 Cb 0.35 -0.76 -0.00 0.00 0.35 0.00 0.00 39.48 39.42 1nx7 n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1nx7 n LEU 36 N -2.52 -0.55 -0.15 -2.13 4.77 -0.10 -0.24 117.00 116.08 1nx7 n LEU 36 Ca -0.15 1.23 -0.04 0.00 -0.03 0.00 0.00 56.01 57.02 1nx7 n LEU 36 Cb 0.82 -0.24 0.15 0.00 -2.33 0.00 0.00 43.42 41.82 1nx7 n LEU 36 CO 0.44 -1.07 0.94 -0.33 -1.33 0.00 0.00 177.39 176.04 1nx7 h GLU 37 N 0.00 0.87 0.10 3.23 3.07 -1.88 -3.12 114.58 116.85 1nx7 h GLU 37 Ca 0.20 -0.20 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 1nx7 h GLU 37 Cb 0.38 -0.12 0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1nx7 h GLU 37 CO -0.68 0.81 -1.20 0.93 -1.40 0.00 0.00 179.01 177.47 1nx7 h GLU 38 N 0.83 0.59 -6.41 2.33 5.08 -0.88 -3.47 114.58 112.65 1nx7 h GLU 38 Ca 0.17 -0.76 -0.59 0.00 -1.00 0.00 0.00 59.36 57.19 1nx7 h GLU 38 Cb 0.36 0.25 0.04 0.00 0.50 0.00 0.00 28.75 29.90 1nx7 h GLU 38 CO 0.01 1.34 0.99 1.58 -1.00 0.00 0.00 179.01 181.92 1nx7 n HIS 39 N -3.77 2.36 0.03 4.33 -0.00 -0.06 -4.90 115.22 113.21 1nx7 n HIS 39 Ca -0.12 0.06 0.12 0.00 0.46 0.00 0.00 57.72 58.24 1nx7 n HIS 39 Cb 0.96 -2.63 0.57 0.00 -0.12 0.00 0.00 29.99 28.77 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 7.86 0.22 -0.46 1.57 0.13 -1.92 0.17 132.00 139.57 1nx7 h PRO 40 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nx7 h PRO 40 Cb 1.26 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nx7 h PRO 40 CO 0.92 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 1nx7 n GLY 41 N -1.55 0.39 3.49 1.56 0.00 -1.26 -5.03 105.19 102.79 1nx7 n GLY 41 Ca 0.06 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 0.39 -1.80 0.11 -0.02 0.00 0.59 -4.54 105.19 99.91 1nx7 n GLY 42 Ca 0.03 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.58 1nx7 n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nx7 h GLU 43 N 0.00 0.09 -0.83 1.61 -0.00 -1.81 -3.40 114.58 110.23 1nx7 h GLU 43 Ca 0.01 -0.15 0.08 0.00 -0.00 0.00 0.00 59.36 59.30 1nx7 h GLU 43 Cb 0.42 0.06 -0.10 0.00 -0.00 0.00 0.00 28.75 29.12 1nx7 h GLU 43 CO 0.00 1.07 -0.47 -1.91 -0.00 0.00 0.00 179.01 177.71 1nx7 n GLU 44 N -4.27 -0.34 -0.21 1.06 2.13 -1.26 -0.52 120.64 117.23 1nx7 n GLU 44 Ca -0.25 1.26 -0.02 0.00 0.66 0.00 0.00 57.16 58.81 1nx7 n GLU 44 Cb 0.73 -1.85 0.09 0.00 0.27 0.00 0.00 31.44 30.67 1nx7 n GLU 44 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1nx7 h VAL 45 N 0.00 0.90 -0.17 6.31 -1.51 -1.80 0.17 116.25 120.16 1nx7 h VAL 45 Ca 0.15 -0.19 -0.12 0.00 -1.23 0.00 0.00 66.70 65.31 1nx7 h VAL 45 Cb 0.36 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 1nx7 h VAL 45 CO -0.79 0.10 -0.38 -0.07 -1.23 0.00 0.00 177.57 175.21 1nx7 h LEU 46 N 0.55 0.62 -0.95 4.19 3.38 -1.02 -1.33 115.31 120.74 1nx7 h LEU 46 Ca 0.28 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1nx7 h LEU 46 Cb 0.24 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1nx7 h LEU 46 CO -0.21 1.07 0.61 -0.09 0.09 0.00 0.00 178.44 179.91 1nx7 h ARG 47 N 0.20 1.27 -0.30 1.13 2.43 -0.57 0.41 114.38 118.95 1nx7 h ARG 47 Ca 0.00 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1nx7 h ARG 47 Cb 0.98 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1nx7 h ARG 47 CO 0.08 0.86 0.15 0.93 -1.51 0.00 0.00 179.97 180.48 1nx7 h GLU 48 N 1.30 0.44 0.00 0.20 5.08 -0.54 -2.86 114.58 118.20 1nx7 h GLU 48 Ca 0.35 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1nx7 h GLU 48 Cb -0.11 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1nx7 h GLU 48 CO -0.07 0.41 -0.11 1.96 -1.00 0.00 0.00 179.01 180.19 1nx7 h GLN 49 N 0.36 0.00 -6.11 2.33 1.08 -0.73 -3.47 115.11 108.57 1nx7 h GLN 49 Ca 0.10 0.00 -0.76 0.00 -1.45 0.00 0.00 58.65 56.55 1nx7 h GLN 49 Cb 0.12 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.59 1nx7 h GLN 49 CO -0.01 0.11 0.40 0.00 -0.95 0.00 0.00 178.83 178.38 1nx7 n ALA 50 N -2.18 -1.94 -1.70 3.87 0.00 0.14 -2.43 120.51 116.27 1nx7 n ALA 50 Ca -0.00 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1nx7 n ALA 50 Cb 0.33 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 2.56 0.67 3.81 0.00 0.00 0.59 -4.80 105.19 108.02 1nx7 n GLY 51 Ca 0.22 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.83 -0.05 -0.16 -0.02 0.00 -1.02 -4.16 107.32 99.07 1nx7 s GLY 52 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.32 1nx7 s GLY 52 CO 0.00 1.07 1.88 0.51 0.00 0.00 0.00 173.10 176.55 1nx7 s ASP 53 N -3.16 6.12 -0.34 1.64 -4.77 -1.26 -1.07 116.67 113.84 1nx7 s ASP 53 Ca 0.17 1.95 0.08 0.00 -3.30 0.00 0.00 52.55 51.44 1nx7 s ASP 53 Cb -0.02 -2.53 0.58 0.00 -1.09 0.00 0.00 42.92 39.87 1nx7 s ASP 53 CO 0.04 -1.42 1.64 0.00 0.70 0.00 0.00 175.17 176.13 1nx7 n ALA 54 N 9.18 4.70 0.01 2.11 0.00 0.61 -4.66 120.51 132.46 1nx7 n ALA 54 Ca 0.22 -2.96 -0.10 0.00 0.00 0.00 0.00 53.44 50.60 1nx7 n ALA 54 Cb 0.44 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 1.16 0.78 0.00 0.00 2.02 -1.25 0.97 112.91 116.60 1nx7 h THR 55 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1nx7 h THR 55 Cb 2.10 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1nx7 h THR 55 CO 0.65 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.75 1nx7 n GLU 56 N -5.21 0.00 -0.18 6.66 2.13 -1.26 -0.53 120.64 122.25 1nx7 n GLU 56 Ca -0.04 0.78 0.01 0.00 0.66 0.00 0.00 57.16 58.56 1nx7 n GLU 56 Cb 0.13 -1.22 0.27 0.00 0.27 0.00 0.00 31.44 30.88 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 0.80 0.09 4.31 2.35 -1.77 0.23 115.58 121.60 1nx7 h ASN 57 Ca 0.00 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1nx7 h ASN 57 Cb 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1nx7 h ASN 57 CO 0.00 0.60 -0.04 0.15 -1.65 0.00 0.00 177.43 176.48 1nx7 h PHE 58 N 0.94 -0.12 0.03 1.19 3.57 -0.50 -3.36 116.94 118.70 1nx7 h PHE 58 Ca 0.25 -0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.49 1nx7 h PHE 58 Cb -0.08 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1nx7 h PHE 58 CO 0.00 -0.07 -1.38 0.93 -2.23 0.00 0.00 178.31 175.56 1nx7 h GLU 59 N -0.13 0.06 0.55 1.11 4.39 0.38 -2.95 114.58 117.99 1nx7 h GLU 59 Ca -0.01 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1nx7 h GLU 59 Cb 0.10 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1nx7 h GLU 59 CO 0.02 0.86 -0.26 0.22 -1.16 0.00 0.00 179.01 178.69 1nx7 h ASP 60 N 0.02 -0.62 0.31 1.42 3.58 -0.75 -1.99 116.42 118.39 1nx7 h ASP 60 Ca -0.16 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 1nx7 h ASP 60 Cb 1.91 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 43.12 1nx7 h ASP 60 CO 0.12 -0.30 -0.09 -0.37 -2.88 0.00 0.00 179.24 175.72 1nx7 h VAL 61 N -0.96 0.49 -3.30 2.25 -1.51 -1.76 -3.47 116.25 107.99 1nx7 h VAL 61 Ca -0.08 -0.41 -0.07 0.00 -1.23 0.00 0.00 66.70 64.92 1nx7 h VAL 61 Cb 0.63 1.27 0.05 0.00 -2.13 0.00 0.00 31.29 31.11 1nx7 h VAL 61 CO 0.12 0.08 -0.20 0.61 -1.23 0.00 0.00 177.57 176.96 1nx7 n GLY 62 N -0.78 0.34 2.77 5.19 0.00 -0.75 -4.94 105.19 107.03 1nx7 n GLY 62 Ca -0.02 -0.18 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.85 0.45 -1.54 1.61 8.25 -1.12 -4.83 115.22 116.18 1nx7 n HIS 63 Ca -0.04 0.84 -0.37 0.00 -0.26 0.00 0.00 57.72 57.88 1nx7 n HIS 63 Cb 0.53 -1.65 0.05 0.00 1.12 0.00 0.00 29.99 30.05 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 1.21 0.21 -0.12 0.41 7.64 -1.26 -4.43 113.62 117.29 1nx7 n SER 64 Ca 0.16 0.76 -0.05 0.00 1.01 0.00 0.00 58.87 60.75 1nx7 n SER 64 Cb 0.07 -1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 61.90 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 0.28 0.00 -0.79 0.44 2.02 -1.99 0.27 112.91 113.14 1nx7 h THR 65 Ca -0.48 0.00 0.28 0.00 0.77 0.00 0.00 66.41 66.98 1nx7 h THR 65 Cb 1.37 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.63 1nx7 h THR 65 CO 0.49 0.00 0.23 0.47 0.37 0.00 0.00 175.52 177.08 1nx7 n ASP 66 N -3.83 0.10 0.05 4.18 9.92 -1.26 -0.53 116.55 125.18 1nx7 n ASP 66 Ca -0.00 1.33 -0.20 0.00 -0.53 0.00 0.00 54.79 55.39 1nx7 n ASP 66 Cb 0.11 -0.57 -0.13 0.00 -0.64 0.00 0.00 41.12 39.89 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 1.59 -0.03 -0.66 2.24 0.00 -0.90 0.28 119.26 121.78 1nx7 h ALA 67 Ca 0.58 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1nx7 h ALA 67 Cb 1.40 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1nx7 h ALA 67 CO -0.68 0.45 0.44 -0.09 0.00 0.00 0.00 179.25 179.37 1nx7 h ARG 68 N -0.12 0.77 0.17 0.00 2.43 0.74 0.66 114.38 119.03 1nx7 h ARG 68 Ca -0.14 -0.05 -0.30 0.00 -0.81 0.00 0.00 59.98 58.68 1nx7 h ARG 68 Cb 1.62 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 31.01 1nx7 h ARG 68 CO 0.17 0.51 -1.39 0.93 -1.51 0.00 0.00 179.97 178.68 1nx7 h GLU 69 N 0.79 0.36 -0.78 0.20 4.39 -0.70 -3.19 114.58 115.66 1nx7 h GLU 69 Ca 0.26 -0.62 0.09 0.00 0.34 0.00 0.00 59.36 59.44 1nx7 h GLU 69 Cb 0.06 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 1nx7 h GLU 69 CO -0.07 1.28 0.43 1.25 -1.16 0.00 0.00 179.01 180.73 1nx7 h LEU 70 N 0.10 0.60 -1.38 1.33 5.85 -0.02 -2.58 115.31 119.20 1nx7 h LEU 70 Ca -0.20 0.05 0.29 0.00 0.84 0.00 0.00 57.88 58.86 1nx7 h LEU 70 Cb 2.05 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.92 1nx7 h LEU 70 CO 0.22 0.34 0.69 0.28 -0.34 0.00 0.00 178.44 179.63 1nx7 h SER 71 N 0.72 0.41 -0.68 1.25 0.02 -0.86 -0.64 113.55 113.78 1nx7 h SER 71 Ca 0.38 0.09 0.14 0.00 -0.84 0.00 0.00 61.79 61.55 1nx7 h SER 71 Cb 0.36 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 1nx7 h SER 71 CO -0.25 0.05 0.46 0.11 -1.14 0.00 0.00 176.83 176.06 1nx7 h LYS 72 N 0.35 0.33 0.00 3.45 1.79 -1.56 0.30 116.57 121.23 1nx7 h LYS 72 Ca 0.62 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 1nx7 h LYS 72 Cb 1.64 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.21 1nx7 h LYS 72 CO -0.31 0.22 0.00 1.79 -1.08 0.00 0.00 179.45 180.07 1nx7 h THR 73 N 0.34 0.00 -0.39 -0.16 1.35 -1.29 -2.15 112.91 110.61 1nx7 h THR 73 Ca 0.33 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1nx7 h THR 73 Cb 0.80 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1nx7 h THR 73 CO -0.09 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.67 1nx7 n PHE 74 N -2.84 0.50 -2.37 4.73 3.72 0.09 -4.95 117.46 116.35 1nx7 n PHE 74 Ca -0.02 -0.28 -0.42 0.00 -0.05 0.00 0.00 57.45 56.68 1nx7 n PHE 74 Cb 0.12 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.36 4.04 -0.05 4.37 1.01 -0.81 -0.84 121.20 127.55 1nx7 s ILE 75 Ca 0.37 1.39 0.08 0.00 0.00 0.00 0.00 60.65 62.49 1nx7 s ILE 75 Cb 0.21 -3.89 -0.12 0.00 0.01 0.00 0.00 42.46 38.67 1nx7 s ILE 75 CO 0.29 0.01 0.09 2.30 0.00 0.00 0.00 174.94 177.63 1nx7 n ILE 76 N 4.57 0.34 -2.43 2.92 -5.35 -0.38 -4.94 119.36 114.10 1nx7 n ILE 76 Ca 0.12 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1nx7 n ILE 76 Cb 0.45 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 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 2.30 2.41 3.41 3.28 0.00 -1.19 -3.57 105.19 111.82 1nx7 n GLY 77 Ca -0.09 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 0.18 1.15 -0.15 1.61 2.12 -0.94 -0.63 118.70 122.03 1nx7 s GLU 78 Ca 0.00 -0.36 -0.35 0.00 0.36 0.00 0.00 54.97 54.62 1nx7 s GLU 78 Cb 0.00 0.53 -0.12 0.00 0.26 0.00 0.00 34.13 34.80 1nx7 s GLU 78 CO 0.00 -0.46 1.90 -0.11 -0.54 0.00 0.00 175.26 176.06 1nx7 n LEU 79 N 0.01 3.14 -4.20 2.70 7.94 0.11 -0.12 117.00 126.59 1nx7 n LEU 79 Ca -0.17 0.91 -0.48 0.00 -1.11 0.00 0.00 56.01 55.16 1nx7 n LEU 79 Cb 0.63 -1.33 -0.04 0.00 0.53 0.00 0.00 43.42 43.21 1nx7 n LEU 79 CO 0.16 -0.20 0.10 1.57 -1.11 0.00 0.00 177.39 177.91 1nx7 n HIS 80 N 6.95 -0.26 0.02 1.96 -0.00 0.53 -4.47 115.22 119.95 1nx7 n HIS 80 Ca 0.25 0.94 0.00 0.00 -0.00 0.00 0.00 57.72 58.91 1nx7 n HIS 80 Cb 0.27 -1.89 0.01 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 1.04 0.00 -0.00 1.57 -0.04 -1.26 -0.27 135.00 136.05 1nx7 n PRO 81 Ca 0.17 0.36 0.01 0.00 -0.04 0.00 0.00 63.50 64.00 1nx7 n PRO 81 Cb 0.21 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.36 0.49 -0.05 3.54 2.03 -1.26 -4.44 116.55 115.50 1nx7 n ASP 82 Ca 0.00 0.21 -0.06 0.00 0.52 0.00 0.00 54.79 55.46 1nx7 n ASP 82 Cb 0.00 0.74 -0.14 0.00 -0.72 0.00 0.00 41.12 41.00 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 -2.71 0.37 0.00 1.67 -0.08 0.63 -5.19 116.55 111.23 1nx7 n ASP 83 Ca -0.13 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1nx7 n ASP 83 Cb 0.84 0.66 0.00 0.00 2.34 0.00 0.00 41.12 44.96 1nx7 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86