#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 2.29 -3.08 0.00 3.14 -1.26 -4.98 118.33 114.44 1nx7 n VAL 4 Ca 0.00 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.44 1nx7 n VAL 4 Cb 0.00 -1.79 -0.05 0.00 -1.06 0.00 0.00 33.84 30.94 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 -2.16 3.06 -0.46 1.45 1.02 -1.23 -4.94 119.74 116.49 1nx7 s LYS 5 Ca 0.57 -1.20 -0.28 0.00 0.02 0.00 0.00 55.97 55.08 1nx7 s LYS 5 Cb -0.49 -4.24 -0.01 0.00 -0.52 0.00 0.00 37.83 32.56 1nx7 s LYS 5 CO 0.61 -1.55 1.72 0.71 -0.92 0.00 0.00 175.35 175.92 1nx7 s TYR 6 N 2.90 1.90 -0.05 3.18 2.02 -1.26 -1.53 117.35 124.51 1nx7 s TYR 6 Ca 0.14 0.67 0.04 0.00 -0.37 0.00 0.00 57.07 57.55 1nx7 s TYR 6 Cb -0.23 -4.17 -0.02 0.00 -0.40 0.00 0.00 41.96 37.14 1nx7 s TYR 6 CO 0.07 -2.49 -0.17 0.71 -1.57 0.00 0.00 175.55 172.11 1nx7 s TYR 7 N 7.28 2.64 0.40 2.71 2.02 0.17 -4.59 117.35 127.98 1nx7 s TYR 7 Ca 0.70 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 57.14 1nx7 s TYR 7 Cb -0.17 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1nx7 s TYR 7 CO 0.28 0.12 0.63 -0.08 -1.57 0.00 0.00 175.55 174.94 1nx7 s THR 8 N -0.64 4.79 0.34 -0.71 -1.32 -1.26 -0.49 115.64 116.35 1nx7 s THR 8 Ca 0.10 -0.31 0.14 0.00 -1.21 0.00 0.00 61.69 60.40 1nx7 s THR 8 Cb -0.11 -3.77 0.36 0.00 -1.51 0.00 0.00 72.50 67.47 1nx7 s THR 8 CO 0.01 -0.57 1.51 0.18 -2.21 0.00 0.00 174.62 173.53 1nx7 n LEU 9 N -1.97 0.18 -0.02 9.08 4.77 -1.26 -0.43 117.00 127.35 1nx7 n LEU 9 Ca -0.02 1.60 -0.09 0.00 -0.03 0.00 0.00 56.01 57.47 1nx7 n LEU 9 Cb 0.56 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1nx7 n LEU 9 CO 0.50 -1.74 0.50 -0.08 -1.33 0.00 0.00 177.39 175.24 1nx7 h GLU 10 N 0.00 -0.32 -0.76 3.23 4.57 -1.95 0.34 114.58 119.69 1nx7 h GLU 10 Ca 0.74 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 59.11 1nx7 h GLU 10 Cb 1.83 0.07 -0.13 0.00 -0.16 0.00 0.00 28.75 30.36 1nx7 h GLU 10 CO -0.79 -0.21 0.01 0.93 -1.18 0.00 0.00 179.01 177.76 1nx7 h GLU 11 N -0.33 0.10 -0.53 1.92 4.39 -1.11 0.21 114.58 119.23 1nx7 h GLU 11 Ca 0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1nx7 h GLU 11 Cb 0.40 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1nx7 h GLU 11 CO -0.28 0.07 0.27 0.82 -1.16 0.00 0.00 179.01 178.73 1nx7 h ILE 12 N 0.10 1.19 -0.22 3.13 5.03 -0.93 -3.21 117.51 122.61 1nx7 h ILE 12 Ca 0.42 -0.52 -0.10 0.00 -0.12 0.00 0.00 64.86 64.54 1nx7 h ILE 12 Cb 0.74 0.56 -0.01 0.00 -3.03 0.00 0.00 36.82 35.08 1nx7 h ILE 12 CO -0.67 0.21 -0.28 -0.61 -0.68 0.00 0.00 178.15 176.12 1nx7 h GLN 13 N 0.71 0.43 -0.04 2.37 4.15 0.27 0.18 115.11 123.19 1nx7 h GLN 13 Ca 0.18 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1nx7 h GLN 13 Cb 0.09 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 1nx7 h GLN 13 CO -0.03 0.68 0.06 0.87 -1.93 0.00 0.00 178.83 178.48 1nx7 h LYS 14 N 0.38 0.00 -2.52 1.69 1.57 -1.05 -3.34 116.57 113.30 1nx7 h LYS 14 Ca 0.05 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.13 1nx7 h LYS 14 Cb 0.69 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.65 1nx7 h LYS 14 CO 0.05 0.00 0.08 0.72 -0.57 0.00 0.00 179.45 179.73 1nx7 n HIS 15 N -3.56 2.99 -1.75 -1.35 8.25 0.65 -4.56 115.22 115.88 1nx7 n HIS 15 Ca -0.02 -3.38 0.00 0.00 -0.26 0.00 0.00 57.72 54.06 1nx7 n HIS 15 Cb 0.15 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.37 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 0.99 0.00 -0.00 0.41 6.94 -1.07 -0.89 115.26 121.64 1nx7 n ASN 16 Ca 0.29 -0.88 -0.08 0.00 -0.02 0.00 0.00 54.58 53.89 1nx7 n ASN 16 Cb 0.37 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.88 1nx7 n ASN 16 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1nx7 h ASN 17 N 0.00 0.60 0.00 0.53 -0.00 -1.80 -3.46 115.58 111.44 1nx7 h ASN 17 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 56.30 56.02 1nx7 h ASN 17 Cb 0.79 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.94 1nx7 h ASN 17 CO 0.00 0.96 0.00 -0.24 -0.00 0.00 0.00 177.43 178.15 1nx7 n SER 18 N -4.01 -0.88 0.04 1.15 2.88 -1.26 -4.99 113.62 106.56 1nx7 n SER 18 Ca -0.02 0.31 -0.09 0.00 -1.33 0.00 0.00 58.87 57.74 1nx7 n SER 18 Cb 0.54 1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 65.00 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 -0.20 -6.16 -1.46 2.10 -1.99 -3.45 116.57 105.41 1nx7 h LYS 19 Ca 0.00 0.01 -0.67 0.00 -2.00 0.00 0.00 60.65 57.99 1nx7 h LYS 19 Cb 0.00 0.05 0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1nx7 h LYS 19 CO 0.00 0.17 1.11 0.43 -2.00 0.00 0.00 179.45 179.16 1nx7 n SER 20 N -4.90 2.77 -3.50 7.07 7.64 -1.26 -4.66 113.62 116.79 1nx7 n SER 20 Ca -0.06 0.87 -0.27 0.00 1.01 0.00 0.00 58.87 60.42 1nx7 n SER 20 Cb 0.23 -1.27 -0.10 0.00 -1.01 0.00 0.00 64.21 62.07 1nx7 n SER 20 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nx7 n THR 21 N 5.48 0.04 -3.50 0.44 -1.04 -1.24 -2.60 114.28 111.86 1nx7 n THR 21 Ca 0.28 -4.11 -0.31 0.00 -2.04 0.00 0.00 64.05 57.87 1nx7 n THR 21 Cb 0.22 -1.90 -0.05 0.00 -1.82 0.00 0.00 70.33 66.79 1nx7 n THR 21 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1nx7 s TRP 22 N -0.85 3.45 0.26 -1.42 0.52 -0.07 -0.11 118.94 120.72 1nx7 s TRP 22 Ca 0.32 0.72 -0.20 0.00 0.02 0.00 0.00 56.10 56.95 1nx7 s TRP 22 Cb 0.05 -2.14 0.02 0.00 -1.15 0.00 0.00 33.47 30.26 1nx7 s TRP 22 CO -0.16 0.31 0.67 -0.48 0.02 0.00 0.00 176.95 177.32 1nx7 s LEU 23 N -2.89 -0.22 -0.15 2.99 0.05 -0.91 -0.22 118.68 117.32 1nx7 s LEU 23 Ca 0.44 -0.56 -0.01 0.00 0.05 0.00 0.00 54.13 54.05 1nx7 s LEU 23 Cb -0.11 2.59 -0.01 0.00 -2.05 0.00 0.00 46.19 46.60 1nx7 s LEU 23 CO 0.24 -1.27 -0.11 -0.63 -0.55 0.00 0.00 176.35 174.03 1nx7 s ILE 24 N -3.91 3.13 -0.66 1.48 1.01 -0.23 -0.57 121.20 121.46 1nx7 s ILE 24 Ca 0.11 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1nx7 s ILE 24 Cb -0.05 -2.34 0.16 0.00 0.01 0.00 0.00 42.46 40.24 1nx7 s ILE 24 CO 0.04 0.50 0.44 -0.76 0.00 0.00 0.00 174.94 175.16 1nx7 s LEU 25 N 0.65 4.73 -0.54 2.97 1.02 0.34 0.21 118.68 128.06 1nx7 s LEU 25 Ca -0.06 -3.57 -0.10 0.00 0.02 0.00 0.00 54.13 50.42 1nx7 s LEU 25 Cb -0.15 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.41 1nx7 s LEU 25 CO 0.03 -0.14 0.63 0.00 0.02 0.00 0.00 176.35 176.89 1nx7 n HIS 26 N 2.37 -3.29 0.00 0.29 1.44 -1.26 -3.53 115.22 111.24 1nx7 n HIS 26 Ca 0.15 1.30 0.00 0.00 -2.01 0.00 0.00 57.72 57.16 1nx7 n HIS 26 Cb 0.34 -4.09 0.00 0.00 0.12 0.00 0.00 29.99 26.36 1nx7 n HIS 26 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1nx7 n TYR 27 N -0.84 0.00 -2.60 -1.40 9.36 -1.26 -4.94 117.16 115.48 1nx7 n TYR 27 Ca 0.08 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.87 1nx7 n TYR 27 Cb 0.47 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.15 1nx7 n TYR 27 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1nx7 s LYS 28 N 0.00 4.46 -0.19 2.98 -0.14 -1.23 0.19 119.74 125.81 1nx7 s LYS 28 Ca 0.00 1.53 -0.16 0.00 -1.36 0.00 0.00 55.97 55.98 1nx7 s LYS 28 Cb 0.00 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 1nx7 s LYS 28 CO 0.00 -0.23 0.41 0.08 -0.76 0.00 0.00 175.35 174.85 1nx7 s VAL 29 N 1.49 5.20 -0.22 3.17 1.01 0.27 -0.51 120.40 130.81 1nx7 s VAL 29 Ca 0.53 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 1nx7 s VAL 29 Cb -0.23 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1nx7 s VAL 29 CO 0.25 0.27 0.01 -0.31 0.00 0.00 0.00 175.10 175.31 1nx7 s TYR 30 N 1.19 3.02 -0.44 5.22 1.51 0.27 -1.02 117.35 127.10 1nx7 s TYR 30 Ca 0.20 -0.64 -0.28 0.00 -1.01 0.00 0.00 57.07 55.34 1nx7 s TYR 30 Cb -0.15 -2.14 0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1nx7 s TYR 30 CO 0.08 -0.40 1.09 0.34 -1.11 0.00 0.00 175.55 175.54 1nx7 s ASP 31 N 1.40 6.68 -0.12 2.29 -1.08 -0.41 -2.15 116.67 123.28 1nx7 s ASP 31 Ca 0.05 0.55 0.17 0.00 -0.52 0.00 0.00 52.55 52.80 1nx7 s ASP 31 Cb -0.15 -2.53 0.68 0.00 -1.46 0.00 0.00 42.92 39.47 1nx7 s ASP 31 CO 0.00 -1.13 1.60 0.18 0.52 0.00 0.00 175.17 176.34 1nx7 n LEU 32 N 7.50 4.63 -0.26 -1.34 4.77 0.84 -4.65 117.00 128.50 1nx7 n LEU 32 Ca 0.11 -2.49 0.01 0.00 -0.03 0.00 0.00 56.01 53.61 1nx7 n LEU 32 Cb 0.48 -0.56 0.14 0.00 -2.33 0.00 0.00 43.42 41.16 1nx7 n LEU 32 CO 0.67 0.79 1.10 0.74 -1.33 0.00 0.00 177.39 179.36 1nx7 h THR 33 N 3.76 0.89 0.00 -5.08 2.02 -1.81 0.26 112.91 112.94 1nx7 h THR 33 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1nx7 h THR 33 Cb 1.44 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1nx7 h THR 33 CO 0.23 0.12 -0.22 0.07 0.37 0.00 0.00 175.52 176.10 1nx7 h LYS 34 N 0.68 0.00 0.00 6.66 5.09 -1.91 -3.37 116.57 123.72 1nx7 h LYS 34 Ca 0.36 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 61.02 1nx7 h LYS 34 Cb 0.34 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.65 1nx7 h LYS 34 CO -0.25 0.00 -0.78 0.35 -2.09 0.00 0.00 179.45 176.69 1nx7 h PHE 35 N 0.00 0.00 -0.52 0.07 3.57 -1.27 -3.39 116.94 115.40 1nx7 h PHE 35 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1nx7 h PHE 35 Cb 0.95 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1nx7 h PHE 35 CO 0.00 0.32 -0.30 1.28 -2.23 0.00 0.00 178.31 177.38 1nx7 n LEU 36 N -2.98 -0.53 0.02 0.59 4.77 -0.61 -0.71 117.00 117.55 1nx7 n LEU 36 Ca -0.01 0.92 -0.13 0.00 -0.03 0.00 0.00 56.01 56.76 1nx7 n LEU 36 Cb 0.68 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1nx7 n LEU 36 CO 0.40 -0.76 0.34 -0.33 -1.33 0.00 0.00 177.39 175.71 1nx7 h GLU 37 N 0.00 0.56 -0.48 3.23 5.08 -1.89 -3.11 114.58 117.97 1nx7 h GLU 37 Ca 0.09 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.92 1nx7 h GLU 37 Cb 0.22 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1nx7 h GLU 37 CO -0.49 1.07 -0.03 0.93 -1.00 0.00 0.00 179.01 179.50 1nx7 h GLU 38 N 0.39 0.87 -6.34 2.33 5.08 -1.22 -3.45 114.58 112.24 1nx7 h GLU 38 Ca -0.03 -0.29 -0.58 0.00 -1.00 0.00 0.00 59.36 57.45 1nx7 h GLU 38 Cb 1.32 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.52 1nx7 h GLU 38 CO 0.14 0.93 1.12 1.58 -1.00 0.00 0.00 179.01 181.78 1nx7 n HIS 39 N -4.31 2.41 0.18 4.33 -0.00 0.12 -4.89 115.22 113.06 1nx7 n HIS 39 Ca 0.01 -0.11 0.14 0.00 0.46 0.00 0.00 57.72 58.21 1nx7 n HIS 39 Cb 0.33 -2.71 0.72 0.00 -0.12 0.00 0.00 29.99 28.22 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 9.34 0.00 -0.04 1.57 0.13 -1.91 0.13 132.00 141.22 1nx7 h PRO 40 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 1nx7 n GLY 41 N -1.52 -0.81 2.51 1.56 0.00 -1.26 -5.03 105.19 100.64 1nx7 n GLY 41 Ca 0.01 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 0.61 -1.99 0.13 -0.02 0.00 0.46 -4.56 105.19 99.81 1nx7 n GLY 42 Ca 0.03 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.78 0.67 -0.14 1.61 -0.00 -1.17 -4.43 120.64 115.40 1nx7 n GLU 43 Ca 0.00 0.35 -0.04 0.00 -0.00 0.00 0.00 57.16 57.48 1nx7 n GLU 43 Cb 0.17 -1.68 -0.03 0.00 -0.00 0.00 0.00 31.44 29.90 1nx7 n GLU 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1nx7 n GLU 44 N -3.84 -0.14 0.26 3.44 -0.58 -1.26 -0.60 120.64 117.91 1nx7 n GLU 44 Ca -0.36 0.81 0.09 0.00 -0.42 0.00 0.00 57.16 57.28 1nx7 n GLU 44 Cb 0.91 -1.20 0.66 0.00 -0.57 0.00 0.00 31.44 31.23 1nx7 n GLU 44 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1nx7 h VAL 45 N 0.00 0.92 0.09 2.62 3.04 -1.80 0.11 116.25 121.24 1nx7 h VAL 45 Ca 0.05 -0.22 -0.15 0.00 -1.01 0.00 0.00 66.70 65.37 1nx7 h VAL 45 Cb 0.13 1.12 0.01 0.00 -2.01 0.00 0.00 31.29 30.55 1nx7 h VAL 45 CO -0.30 0.06 -0.72 -0.07 -1.01 0.00 0.00 177.57 175.53 1nx7 h LEU 46 N 0.00 0.31 -0.73 3.16 3.38 -1.07 -2.83 115.31 117.53 1nx7 h LEU 46 Ca -0.00 -0.93 0.15 0.00 0.09 0.00 0.00 57.88 57.19 1nx7 h LEU 46 Cb 0.12 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 1nx7 h LEU 46 CO 0.01 1.33 0.23 -0.09 0.09 0.00 0.00 178.44 180.01 1nx7 h ARG 47 N -0.55 0.33 -0.60 1.13 2.43 -0.41 0.36 114.38 117.07 1nx7 h ARG 47 Ca -0.14 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1nx7 h ARG 47 Cb 1.48 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.91 1nx7 h ARG 47 CO 0.08 0.22 0.33 0.93 -1.51 0.00 0.00 179.97 180.02 1nx7 h GLU 48 N 0.34 0.61 0.00 0.20 5.08 -0.82 -2.00 114.58 117.99 1nx7 h GLU 48 Ca 0.40 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1nx7 h GLU 48 Cb 0.65 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nx7 h GLU 48 CO -0.45 0.40 -0.08 1.96 -1.00 0.00 0.00 179.01 179.84 1nx7 h GLN 49 N 0.63 0.00 -6.19 2.33 1.08 -0.96 -3.47 115.11 108.53 1nx7 h GLN 49 Ca 0.26 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.74 1nx7 h GLN 49 Cb 0.13 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.60 1nx7 h GLN 49 CO -0.16 0.08 0.55 0.00 -0.95 0.00 0.00 178.83 178.36 1nx7 n ALA 50 N -2.14 -1.08 -1.23 3.87 0.00 0.12 -2.46 120.51 117.59 1nx7 n ALA 50 Ca 0.01 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1nx7 n ALA 50 Cb 0.38 -2.07 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 2.98 0.93 3.82 0.00 0.00 0.69 -4.80 105.19 108.80 1nx7 n GLY 51 Ca 0.22 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.64 -0.01 -0.20 -0.02 0.00 -1.03 -4.12 107.32 99.29 1nx7 s GLY 52 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.27 1nx7 s GLY 52 CO 0.00 1.16 1.96 0.51 0.00 0.00 0.00 173.10 176.73 1nx7 s ASP 53 N -3.18 5.90 -0.03 1.64 -4.77 -1.26 -1.06 116.67 113.90 1nx7 s ASP 53 Ca 0.17 1.84 0.14 0.00 -3.30 0.00 0.00 52.55 51.39 1nx7 s ASP 53 Cb -0.02 -2.52 0.42 0.00 -1.09 0.00 0.00 42.92 39.70 1nx7 s ASP 53 CO 0.04 -1.61 1.35 0.00 0.70 0.00 0.00 175.17 175.65 1nx7 n ALA 54 N 10.04 2.39 -0.35 2.11 0.00 0.13 -4.61 120.51 130.22 1nx7 n ALA 54 Ca 0.24 -1.36 -0.03 0.00 0.00 0.00 0.00 53.44 52.30 1nx7 n ALA 54 Cb 0.45 -0.59 0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 0.58 -0.50 -0.13 0.00 -1.04 0.17 -0.71 114.28 112.66 1nx7 n THR 55 Ca 0.16 2.09 -0.08 0.00 -2.04 0.00 0.00 64.05 64.17 1nx7 n THR 55 Cb 0.56 -2.72 -0.06 0.00 -1.82 0.00 0.00 70.33 66.28 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 -0.19 -0.61 -2.82 4.57 -1.87 0.80 114.58 114.45 1nx7 h GLU 56 Ca 0.27 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.50 1nx7 h GLU 56 Cb 0.49 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 1nx7 h GLU 56 CO -0.87 -0.13 0.37 -0.91 -1.18 0.00 0.00 179.01 176.29 1nx7 h ASN 57 N -0.20 0.59 -0.32 1.04 -0.26 -1.45 0.23 115.58 115.20 1nx7 h ASN 57 Ca 0.06 0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.84 1nx7 h ASN 57 Cb 0.36 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 1nx7 h ASN 57 CO -0.43 0.41 0.12 0.15 -1.06 0.00 0.00 177.43 176.61 1nx7 h PHE 58 N 0.71 0.21 -0.05 1.19 3.57 -0.29 -2.72 116.94 119.56 1nx7 h PHE 58 Ca 0.25 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.57 1nx7 h PHE 58 Cb 0.05 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.76 1nx7 h PHE 58 CO -0.06 0.09 -0.74 0.93 -2.23 0.00 0.00 178.31 176.30 1nx7 h GLU 59 N 0.26 0.59 -0.54 1.11 4.39 -0.04 -3.01 114.58 117.33 1nx7 h GLU 59 Ca 0.14 -0.57 0.09 0.00 0.34 0.00 0.00 59.36 59.36 1nx7 h GLU 59 Cb 0.11 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 1nx7 h GLU 59 CO -0.14 1.19 0.14 0.22 -1.16 0.00 0.00 179.01 179.26 1nx7 h ASP 60 N 0.21 0.07 0.63 1.42 3.58 -0.64 0.03 116.42 121.72 1nx7 h ASP 60 Ca -0.08 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1nx7 h ASP 60 Cb 1.41 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.56 1nx7 h ASP 60 CO 0.15 0.06 -0.04 0.58 -2.88 0.00 0.00 179.24 177.10 1nx7 h VAL 61 N 0.29 0.17 -4.24 2.25 2.07 -1.47 -3.47 116.25 111.84 1nx7 h VAL 61 Ca 0.27 -0.45 -0.23 0.00 0.82 0.00 0.00 66.70 67.12 1nx7 h VAL 61 Cb 0.36 1.38 0.10 0.00 -1.52 0.00 0.00 31.29 31.61 1nx7 h VAL 61 CO -0.33 0.04 -0.47 0.61 0.02 0.00 0.00 177.57 177.45 1nx7 n GLY 62 N -0.37 -0.04 3.58 2.17 0.00 -0.00 -4.96 105.19 105.56 1nx7 n GLY 62 Ca -0.01 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.49 0.67 -1.66 1.61 8.25 -1.24 -4.95 115.22 114.41 1nx7 n HIS 63 Ca -0.10 0.50 -0.38 0.00 -0.26 0.00 0.00 57.72 57.48 1nx7 n HIS 63 Cb 0.58 -2.14 0.05 0.00 1.12 0.00 0.00 29.99 29.60 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 0.17 1.39 -0.15 0.41 7.64 -1.26 -4.81 113.62 117.01 1nx7 n SER 64 Ca 0.11 0.86 -0.06 0.00 1.01 0.00 0.00 58.87 60.79 1nx7 n SER 64 Cb 0.43 -1.45 -0.00 0.00 -1.01 0.00 0.00 64.21 62.18 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 0.76 0.22 -0.89 0.44 2.02 -2.00 0.13 112.91 113.60 1nx7 h THR 65 Ca -0.49 0.00 0.28 0.00 0.77 0.00 0.00 66.41 66.97 1nx7 h THR 65 Cb 1.35 0.22 -0.16 0.00 -1.74 0.00 0.00 68.15 67.82 1nx7 h THR 65 CO 0.53 0.00 0.16 0.47 0.37 0.00 0.00 175.52 177.05 1nx7 n ASP 66 N -5.42 0.02 0.07 4.18 9.92 -1.26 -0.77 116.55 123.29 1nx7 n ASP 66 Ca 0.02 1.49 -0.13 0.00 -0.53 0.00 0.00 54.79 55.65 1nx7 n ASP 66 Cb 0.34 -0.60 -0.04 0.00 -0.64 0.00 0.00 41.12 40.18 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 1.77 0.40 0.02 2.24 0.00 -1.10 0.25 119.26 122.83 1nx7 h ALA 67 Ca 0.60 -0.70 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1nx7 h ALA 67 Cb 1.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1nx7 h ALA 67 CO -0.79 0.82 -0.06 -0.09 0.00 0.00 0.00 179.25 179.14 1nx7 h ARG 68 N 0.22 -0.11 -0.30 0.00 2.43 -0.21 0.68 114.38 117.09 1nx7 h ARG 68 Ca -0.07 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1nx7 h ARG 68 Cb 1.55 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 1nx7 h ARG 68 CO 0.16 -0.07 -0.15 0.93 -1.51 0.00 0.00 179.97 179.33 1nx7 h GLU 69 N -0.12 0.53 -0.40 0.20 4.39 -0.56 -1.28 114.58 117.35 1nx7 h GLU 69 Ca 0.02 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 1nx7 h GLU 69 Cb 0.13 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1nx7 h GLU 69 CO -0.05 0.66 0.12 1.25 -1.16 0.00 0.00 179.01 179.83 1nx7 h LEU 70 N 0.48 0.59 -1.72 1.33 5.85 -0.42 -3.28 115.31 118.15 1nx7 h LEU 70 Ca 0.09 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.71 1nx7 h LEU 70 Cb 0.54 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1nx7 h LEU 70 CO 0.03 0.64 0.40 0.77 -0.34 0.00 0.00 178.44 179.95 1nx7 h SER 71 N 0.50 0.28 -0.53 1.25 4.64 0.37 -1.71 113.55 118.34 1nx7 h SER 71 Ca 0.13 0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.56 1nx7 h SER 71 Cb 0.27 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1nx7 h SER 71 CO -0.00 0.16 0.36 0.11 -0.87 0.00 0.00 176.83 176.59 1nx7 h LYS 72 N 0.31 0.25 0.00 4.77 1.57 -1.59 0.12 116.57 122.00 1nx7 h LYS 72 Ca 0.28 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1nx7 h LYS 72 Cb 0.68 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1nx7 h LYS 72 CO -0.07 0.17 0.00 1.79 -0.57 0.00 0.00 179.45 180.77 1nx7 h THR 73 N 0.26 0.00 -0.26 -0.16 1.35 -1.52 -1.98 112.91 110.61 1nx7 h THR 73 Ca 0.25 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1nx7 h THR 73 Cb 0.64 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1nx7 h THR 73 CO -0.05 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.71 1nx7 n PHE 74 N -2.73 0.33 -2.03 4.73 3.72 0.43 -4.96 117.46 116.94 1nx7 n PHE 74 Ca -0.02 -0.21 -0.42 0.00 -0.05 0.00 0.00 57.45 56.74 1nx7 n PHE 74 Cb 0.07 -0.00 -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 -1.31 3.62 -0.18 4.37 1.01 -0.75 -1.28 121.20 126.68 1nx7 s ILE 75 Ca 0.29 0.75 0.18 0.00 0.00 0.00 0.00 60.65 61.87 1nx7 s ILE 75 Cb 0.17 -3.50 -0.26 0.00 0.01 0.00 0.00 42.46 38.89 1nx7 s ILE 75 CO 0.24 -0.08 0.11 2.30 0.00 0.00 0.00 174.94 177.51 1nx7 n ILE 76 N 5.57 1.25 -2.78 2.92 -5.35 -0.18 -4.93 119.36 115.85 1nx7 n ILE 76 Ca 0.17 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1nx7 n ILE 76 Cb 0.43 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 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 1.70 1.79 3.67 3.28 0.00 -1.18 -3.51 105.19 110.94 1nx7 n GLY 77 Ca -0.30 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.10 1.59 -0.09 1.61 2.02 -0.58 -0.56 118.70 122.58 1nx7 s GLU 78 Ca 0.00 -1.06 -0.29 0.00 0.02 0.00 0.00 54.97 53.64 1nx7 s GLU 78 Cb 0.00 0.53 -0.06 0.00 0.10 0.00 0.00 34.13 34.70 1nx7 s GLU 78 CO 0.00 -0.69 1.87 -1.17 0.02 0.00 0.00 175.26 175.28 1nx7 s LEU 79 N -2.95 4.09 0.02 1.80 2.96 0.13 0.41 118.68 125.15 1nx7 s LEU 79 Ca 0.15 2.17 -0.34 0.00 -0.22 0.00 0.00 54.13 55.89 1nx7 s LEU 79 Cb -0.03 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.96 1nx7 s LEU 79 CO 0.05 -1.25 0.88 1.57 -1.32 0.00 0.00 176.35 176.28 1nx7 n HIS 80 N 8.49 0.43 0.43 5.38 -0.00 0.35 -4.77 115.22 125.54 1nx7 n HIS 80 Ca 0.21 0.93 0.03 0.00 -0.00 0.00 0.00 57.72 58.89 1nx7 n HIS 80 Cb 0.43 -1.84 0.17 0.00 -0.00 0.00 0.00 29.99 28.75 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 1.27 0.21 -0.04 1.57 -0.04 -1.26 -0.68 135.00 136.04 1nx7 n PRO 81 Ca 0.17 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.65 1nx7 n PRO 81 Cb 0.09 -1.42 -0.13 0.00 -0.04 0.00 0.00 33.50 32.00 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 -0.92 1.01 -0.52 3.54 2.03 -1.26 -4.58 116.55 115.85 1nx7 n ASP 82 Ca 0.04 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.43 1nx7 n ASP 82 Cb 0.02 1.43 0.28 0.00 -0.72 0.00 0.00 41.12 42.13 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 -2.31 1.53 0.00 1.67 2.03 0.15 -5.17 116.55 114.45 1nx7 n ASP 83 Ca -0.13 -1.82 0.00 0.00 0.52 0.00 0.00 54.79 53.37 1nx7 n ASP 83 Cb 0.69 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1nx7 n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82