#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 -0.48 0.00 0.11 -1.26 -5.01 120.40 113.76 1nx7 s VAL 4 Ca 0.00 -0.05 -0.16 0.00 -2.93 0.00 0.00 61.98 58.84 1nx7 s VAL 4 Cb 0.00 -0.89 0.08 0.00 -1.53 0.00 0.00 36.38 34.04 1nx7 s VAL 4 CO 0.00 -0.03 0.41 -0.54 -3.33 0.00 0.00 175.10 171.61 1nx7 s LYS 5 N -0.35 2.98 -0.47 1.54 1.02 -1.24 -4.99 119.74 118.23 1nx7 s LYS 5 Ca -0.05 -1.38 -0.28 0.00 0.02 0.00 0.00 55.97 54.28 1nx7 s LYS 5 Cb -0.03 -4.15 -0.02 0.00 -0.52 0.00 0.00 37.83 33.11 1nx7 s LYS 5 CO 0.04 -1.06 1.79 0.71 -0.92 0.00 0.00 175.35 175.91 1nx7 s TYR 6 N 1.65 1.80 -0.10 3.18 2.02 -1.26 -1.22 117.35 123.42 1nx7 s TYR 6 Ca 0.04 0.71 -0.02 0.00 -0.37 0.00 0.00 57.07 57.43 1nx7 s TYR 6 Cb -0.25 -4.13 -0.03 0.00 -0.40 0.00 0.00 41.96 37.15 1nx7 s TYR 6 CO 0.06 -2.55 -0.00 0.71 -1.57 0.00 0.00 175.55 172.20 1nx7 s TYR 7 N 7.77 3.14 0.41 2.71 2.02 0.17 -4.65 117.35 128.92 1nx7 s TYR 7 Ca 0.72 0.13 -0.01 0.00 -0.37 0.00 0.00 57.07 57.53 1nx7 s TYR 7 Cb -0.17 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 1nx7 s TYR 7 CO 0.28 0.39 0.65 -0.08 -1.57 0.00 0.00 175.55 175.22 1nx7 s THR 8 N -0.68 4.85 0.23 -0.71 -1.32 -1.26 -0.50 115.64 116.25 1nx7 s THR 8 Ca 0.11 -0.25 -0.07 0.00 -1.21 0.00 0.00 61.69 60.26 1nx7 s THR 8 Cb -0.12 -3.80 0.38 0.00 -1.51 0.00 0.00 72.50 67.46 1nx7 s THR 8 CO 0.02 -0.61 1.31 0.18 -2.21 0.00 0.00 174.62 173.31 1nx7 n LEU 9 N -2.00 -0.31 -0.34 9.08 4.77 -1.26 0.30 117.00 127.24 1nx7 n LEU 9 Ca -0.02 1.45 -0.07 0.00 -0.03 0.00 0.00 56.01 57.34 1nx7 n LEU 9 Cb 0.56 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1nx7 n LEU 9 CO 0.50 -1.39 0.42 1.21 -1.33 0.00 0.00 177.39 176.80 1nx7 n GLU 10 N -5.37 -0.32 -0.29 3.23 4.07 -1.26 -0.68 120.64 120.01 1nx7 n GLU 10 Ca 0.13 1.25 0.00 0.00 -0.06 0.00 0.00 57.16 58.49 1nx7 n GLU 10 Cb 0.42 -1.85 0.14 0.00 -0.06 0.00 0.00 31.44 30.09 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 0.88 -0.11 5.31 4.39 -0.52 -0.99 114.58 123.54 1nx7 h GLU 11 Ca 0.17 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1nx7 h GLU 11 Cb 0.38 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1nx7 h GLU 11 CO -0.79 0.58 -0.39 0.82 -1.16 0.00 0.00 179.01 178.08 1nx7 h ILE 12 N 0.90 1.30 -0.89 3.13 5.03 -1.10 -3.31 117.51 122.58 1nx7 h ILE 12 Ca 0.36 -1.46 -0.01 0.00 -0.12 0.00 0.00 64.86 63.64 1nx7 h ILE 12 Cb 0.19 1.65 -0.04 0.00 -3.03 0.00 0.00 36.82 35.58 1nx7 h ILE 12 CO -0.18 0.44 0.53 -0.61 -0.68 0.00 0.00 178.15 177.64 1nx7 h GLN 13 N 0.20 1.21 -0.74 2.37 4.15 0.50 0.29 115.11 123.09 1nx7 h GLN 13 Ca 0.02 -0.11 0.15 0.00 0.77 0.00 0.00 58.65 59.48 1nx7 h GLN 13 Cb 0.78 -0.25 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 1nx7 h GLN 13 CO 0.06 0.85 0.50 0.87 -1.93 0.00 0.00 178.83 179.18 1nx7 h LYS 14 N 1.22 0.36 -2.23 1.69 1.57 -1.60 -3.20 116.57 114.39 1nx7 h LYS 14 Ca 0.32 -0.02 -0.80 0.00 -1.87 0.00 0.00 60.65 58.27 1nx7 h LYS 14 Cb -0.04 -0.08 -0.27 0.00 0.08 0.00 0.00 32.23 31.92 1nx7 h LYS 14 CO -0.06 0.24 1.00 0.72 -0.57 0.00 0.00 179.45 180.78 1nx7 n HIS 15 N -4.47 2.82 -3.25 -1.35 8.25 0.10 -4.59 115.22 112.73 1nx7 n HIS 15 Ca 0.14 -2.58 -0.05 0.00 -0.26 0.00 0.00 57.72 54.97 1nx7 n HIS 15 Cb 0.54 -1.18 -0.03 0.00 1.12 0.00 0.00 29.99 30.44 1nx7 n HIS 15 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1nx7 s ASN 16 N -1.38 -0.59 0.00 0.41 2.47 -1.04 -0.28 114.94 114.53 1nx7 s ASN 16 Ca 0.40 -0.83 0.00 0.00 0.42 0.00 0.00 52.86 52.86 1nx7 s ASN 16 Cb 0.21 1.49 0.00 0.00 -1.45 0.00 0.00 41.25 41.50 1nx7 s ASN 16 CO -0.15 -0.23 0.00 -3.20 -3.72 0.00 0.00 177.10 169.79 1nx7 n ASN 17 N 4.61 0.00 0.00 -4.21 2.85 -0.19 -4.93 115.26 113.39 1nx7 n ASN 17 Ca 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1nx7 n ASN 17 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1nx7 n ASN 17 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1nx7 n SER 18 N 0.00 0.00 -0.08 1.20 3.41 -1.26 -4.66 113.62 112.22 1nx7 n SER 18 Ca 0.00 0.74 -0.14 0.00 -0.26 0.00 0.00 58.87 59.21 1nx7 n SER 18 Cb 0.00 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 1nx7 n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nx7 n LYS 19 N -1.66 0.39 -1.30 4.33 4.81 -1.26 -5.02 118.16 118.45 1nx7 n LYS 19 Ca 0.00 0.12 -0.57 0.00 -0.87 0.00 0.00 58.31 57.00 1nx7 n LYS 19 Cb 0.00 -1.23 -0.12 0.00 0.02 0.00 0.00 35.03 33.70 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 -3.31 0.76 -3.54 3.14 7.64 -1.26 -4.77 113.62 112.28 1nx7 n SER 20 Ca -0.31 0.59 -0.22 0.00 1.01 0.00 0.00 58.87 59.94 1nx7 n SER 20 Cb 0.78 -0.93 -0.15 0.00 -1.01 0.00 0.00 64.21 62.91 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 6.53 -0.22 0.14 0.44 2.01 -1.22 -1.02 115.64 122.30 1nx7 s THR 21 Ca 1.22 -0.19 0.11 0.00 0.31 0.00 0.00 61.69 63.13 1nx7 s THR 21 Cb -1.43 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 1nx7 s THR 21 CO 0.62 -0.28 -0.25 0.26 -0.69 0.00 0.00 174.62 174.28 1nx7 s TRP 22 N 2.24 2.24 0.31 4.92 0.52 0.61 -1.12 118.94 128.67 1nx7 s TRP 22 Ca 0.05 -0.38 -0.09 0.00 0.02 0.00 0.00 56.10 55.70 1nx7 s TRP 22 Cb -0.16 -1.19 0.01 0.00 -1.15 0.00 0.00 33.47 30.99 1nx7 s TRP 22 CO -0.13 0.36 0.54 -0.48 0.02 0.00 0.00 176.95 177.26 1nx7 s LEU 23 N -2.19 0.52 -0.15 2.99 0.05 -0.84 -0.32 118.68 118.74 1nx7 s LEU 23 Ca 0.15 -1.19 0.00 0.00 0.05 0.00 0.00 54.13 53.14 1nx7 s LEU 23 Cb -0.09 1.89 0.03 0.00 -2.05 0.00 0.00 46.19 45.96 1nx7 s LEU 23 CO 0.07 -1.32 -0.12 -0.63 -0.55 0.00 0.00 176.35 173.80 1nx7 s ILE 24 N -3.28 1.44 -0.56 1.48 1.01 -0.23 -0.39 121.20 120.66 1nx7 s ILE 24 Ca 0.24 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.34 1nx7 s ILE 24 Cb -0.02 -1.40 0.14 0.00 0.01 0.00 0.00 42.46 41.20 1nx7 s ILE 24 CO 0.14 0.40 0.33 -0.76 0.00 0.00 0.00 174.94 175.04 1nx7 s LEU 25 N 1.53 4.18 -0.32 2.97 1.02 0.09 -0.14 118.68 128.01 1nx7 s LEU 25 Ca 0.04 -3.21 -0.02 0.00 0.02 0.00 0.00 54.13 50.97 1nx7 s LEU 25 Cb -0.13 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 1nx7 s LEU 25 CO -0.10 -0.19 0.28 1.41 0.02 0.00 0.00 176.35 177.77 1nx7 n HIS 26 N 2.83 -0.84 0.00 0.29 8.25 -1.26 -3.77 115.22 120.71 1nx7 n HIS 26 Ca 0.10 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1nx7 n HIS 26 Cb 0.34 -2.89 0.00 0.00 1.12 0.00 0.00 29.99 28.56 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 -1.89 0.00 -2.86 4.41 4.01 -1.26 -4.93 117.16 114.63 1nx7 n TYR 27 Ca -0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.37 1nx7 n TYR 27 Cb 0.53 -0.16 -0.07 0.00 -0.31 0.00 0.00 39.34 39.33 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 4.39 -0.22 -0.72 1.02 -1.25 0.06 119.74 123.02 1nx7 s LYS 28 Ca 0.00 1.16 -0.06 0.00 0.02 0.00 0.00 55.97 57.08 1nx7 s LYS 28 Cb 0.00 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1nx7 s LYS 28 CO 0.00 0.19 0.04 0.08 -0.92 0.00 0.00 175.35 174.74 1nx7 s VAL 29 N -1.81 4.17 -0.25 3.17 1.01 0.67 -0.73 120.40 126.64 1nx7 s VAL 29 Ca 0.53 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 1nx7 s VAL 29 Cb -0.15 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1nx7 s VAL 29 CO 0.20 0.39 0.03 -0.31 0.00 0.00 0.00 175.10 175.41 1nx7 s TYR 30 N 1.27 3.05 -0.45 5.22 1.51 0.47 -1.36 117.35 127.06 1nx7 s TYR 30 Ca 0.04 -0.69 -0.06 0.00 -1.01 0.00 0.00 57.07 55.36 1nx7 s TYR 30 Cb -0.15 -2.19 -0.10 0.00 -0.11 0.00 0.00 41.96 39.41 1nx7 s TYR 30 CO 0.02 -0.46 3.15 -0.40 -1.11 0.00 0.00 175.55 176.76 1nx7 n ASP 31 N 4.87 6.29 0.00 2.29 5.75 0.08 -1.98 116.55 133.85 1nx7 n ASP 31 Ca -0.17 -2.80 0.01 0.00 -0.01 0.00 0.00 54.79 51.83 1nx7 n ASP 31 Cb 0.51 -1.36 0.08 0.00 -1.03 0.00 0.00 41.12 39.31 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 1.98 0.00 -0.34 -2.12 4.77 -0.91 -3.76 117.00 116.63 1nx7 n LEU 32 Ca 0.51 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.62 1nx7 n LEU 32 Cb 0.66 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 42.10 1nx7 n LEU 32 CO 0.32 0.00 1.20 0.74 -1.33 0.00 0.00 177.39 178.33 1nx7 h THR 33 N 0.00 0.72 0.00 -5.08 2.02 -1.42 0.22 112.91 109.37 1nx7 h THR 33 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1nx7 h THR 33 Cb 0.00 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 1nx7 h THR 33 CO 0.00 0.13 -0.70 0.07 0.37 0.00 0.00 175.52 175.39 1nx7 h LYS 34 N 0.72 0.00 0.00 6.66 5.09 -1.89 -3.37 116.57 123.78 1nx7 h LYS 34 Ca 0.55 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 61.22 1nx7 h LYS 34 Cb 0.92 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.24 1nx7 h LYS 34 CO -0.33 0.00 -0.56 0.35 -2.09 0.00 0.00 179.45 176.81 1nx7 h PHE 35 N 0.00 0.00 -0.53 0.07 3.57 -0.86 -3.38 116.94 115.81 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 0.87 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1nx7 h PHE 35 CO 0.00 0.30 -0.32 1.28 -2.23 0.00 0.00 178.31 177.34 1nx7 n LEU 36 N -3.06 -0.57 0.13 0.59 4.77 -0.58 -0.51 117.00 117.77 1nx7 n LEU 36 Ca 0.01 1.07 -0.01 0.00 -0.03 0.00 0.00 56.01 57.04 1nx7 n LEU 36 Cb 0.67 -0.18 0.23 0.00 -2.33 0.00 0.00 43.42 41.80 1nx7 n LEU 36 CO 0.39 -0.83 0.59 -0.33 -1.33 0.00 0.00 177.39 175.87 1nx7 h GLU 37 N 0.00 0.09 -0.18 3.23 3.07 -1.89 -3.21 114.58 115.70 1nx7 h GLU 37 Ca 0.09 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.74 1nx7 h GLU 37 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1nx7 h GLU 37 CO -0.50 0.57 -0.51 0.93 -1.40 0.00 0.00 179.01 178.10 1nx7 h GLU 38 N 0.07 0.66 -6.51 2.33 5.08 -1.13 -3.47 114.58 111.62 1nx7 h GLU 38 Ca 0.00 -0.47 -0.54 0.00 -1.00 0.00 0.00 59.36 57.35 1nx7 h GLU 38 Cb 0.91 0.08 0.04 0.00 0.50 0.00 0.00 28.75 30.28 1nx7 h GLU 38 CO 0.07 1.09 1.09 1.58 -1.00 0.00 0.00 179.01 181.84 1nx7 n HIS 39 N -4.16 2.60 -0.04 4.33 -0.00 0.33 -4.91 115.22 113.37 1nx7 n HIS 39 Ca -0.06 -0.11 0.15 0.00 0.46 0.00 0.00 57.72 58.15 1nx7 n HIS 39 Cb 0.60 -2.72 0.57 0.00 -0.12 0.00 0.00 29.99 28.32 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 8.33 0.25 -0.37 1.57 0.13 -1.91 0.59 132.00 140.59 1nx7 h PRO 40 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nx7 h PRO 40 Cb 1.22 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1nx7 h PRO 40 CO 0.95 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 179.29 1nx7 n GLY 41 N -1.56 0.21 3.88 1.56 0.00 -1.26 -5.03 105.19 102.99 1nx7 n GLY 41 Ca 0.09 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.93 0.13 -0.02 0.00 0.20 -4.62 105.19 99.45 1nx7 n GLY 42 Ca 0.04 -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 -1.32 0.62 -0.17 1.61 0.28 -1.21 -4.52 120.64 115.94 1nx7 n GLU 43 Ca 0.00 0.34 -0.02 0.00 -0.16 0.00 0.00 57.16 57.32 1nx7 n GLU 43 Cb 0.10 -1.61 0.07 0.00 1.43 0.00 0.00 31.44 31.44 1nx7 n GLU 43 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1nx7 h GLU 44 N -0.64 0.29 -0.77 3.44 4.57 -1.90 0.13 114.58 119.71 1nx7 h GLU 44 Ca -0.53 -0.02 0.18 0.00 -1.18 0.00 0.00 59.36 57.81 1nx7 h GLU 44 Cb 1.65 -0.07 -0.12 0.00 -0.16 0.00 0.00 28.75 30.05 1nx7 h GLU 44 CO -0.22 0.19 0.12 -0.39 -1.18 0.00 0.00 179.01 177.54 1nx7 h VAL 45 N 0.30 0.41 -0.16 0.32 -1.51 -1.82 0.32 116.25 114.11 1nx7 h VAL 45 Ca 0.26 -0.06 -0.11 0.00 -1.23 0.00 0.00 66.70 65.55 1nx7 h VAL 45 Cb 0.32 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 1nx7 h VAL 45 CO -0.30 0.03 -0.33 -0.07 -1.23 0.00 0.00 177.57 175.67 1nx7 h LEU 46 N 0.19 0.57 -0.57 4.19 3.38 -1.03 -2.18 115.31 119.85 1nx7 h LEU 46 Ca 0.44 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1nx7 h LEU 46 Cb 0.79 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1nx7 h LEU 46 CO -0.60 1.02 0.36 -0.09 0.09 0.00 0.00 178.44 179.22 1nx7 h ARG 47 N 0.14 0.69 -0.60 1.13 1.12 -0.22 0.18 114.38 116.82 1nx7 h ARG 47 Ca 0.00 -0.04 0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1nx7 h ARG 47 Cb 0.93 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.70 1nx7 h ARG 47 CO 0.07 0.46 0.38 0.93 -3.11 0.00 0.00 179.97 178.70 1nx7 h GLU 48 N 0.71 0.73 0.00 0.20 5.08 -0.37 -1.11 114.58 119.82 1nx7 h GLU 48 Ca 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1nx7 h GLU 48 Cb -0.02 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1nx7 h GLU 48 CO -0.08 0.48 0.00 1.04 -1.00 0.00 0.00 179.01 179.45 1nx7 n GLN 49 N -4.71 0.02 -1.39 2.33 1.13 -0.83 -4.93 117.38 109.01 1nx7 n GLN 49 Ca 0.05 0.14 -0.34 0.00 -1.94 0.00 0.00 57.00 54.91 1nx7 n GLN 49 Cb 0.06 -1.50 0.10 0.00 0.11 0.00 0.00 30.24 29.00 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 -2.97 2.09 -0.30 -1.58 0.00 0.59 -2.67 121.76 116.93 1nx7 s ALA 50 Ca 0.11 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1nx7 s ALA 50 Cb 0.14 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1nx7 s ALA 50 CO 0.37 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 174.64 1nx7 n GLY 51 N 0.24 0.49 3.74 0.00 0.00 0.56 -4.84 105.19 105.39 1nx7 n GLY 51 Ca 0.13 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.23 0.47 0.10 -0.02 0.00 -1.09 -4.10 107.32 100.45 1nx7 s GLY 52 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.62 1nx7 s GLY 52 CO 0.00 -0.41 1.65 0.51 0.00 0.00 0.00 173.10 174.85 1nx7 s ASP 53 N -3.06 6.57 -0.15 1.64 -4.77 -1.26 -1.06 116.67 114.58 1nx7 s ASP 53 Ca 0.18 2.56 0.15 0.00 -3.30 0.00 0.00 52.55 52.14 1nx7 s ASP 53 Cb -0.04 -2.57 0.33 0.00 -1.09 0.00 0.00 42.92 39.55 1nx7 s ASP 53 CO 0.12 -0.89 1.17 0.00 0.70 0.00 0.00 175.17 176.27 1nx7 n ALA 54 N 5.15 2.79 -0.24 2.11 0.00 0.80 -4.70 120.51 126.42 1nx7 n ALA 54 Ca 0.16 -2.79 0.04 0.00 0.00 0.00 0.00 53.44 50.85 1nx7 n ALA 54 Cb 0.40 -0.39 0.16 0.00 0.00 0.00 0.00 19.45 19.62 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 1.06 0.53 -0.36 0.00 2.02 -1.41 0.16 112.91 114.91 1nx7 h THR 55 Ca -0.01 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1nx7 h THR 55 Cb 1.06 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1nx7 h THR 55 CO 0.00 0.05 -0.21 1.21 0.37 0.00 0.00 175.52 176.94 1nx7 n GLU 56 N -5.17 -0.16 0.10 6.66 4.07 -1.26 -0.95 120.64 123.94 1nx7 n GLU 56 Ca 0.13 1.18 0.03 0.00 -0.06 0.00 0.00 57.16 58.45 1nx7 n GLU 56 Cb 0.43 -1.76 0.43 0.00 -0.06 0.00 0.00 31.44 30.48 1nx7 n GLU 56 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1nx7 h ASN 57 N 0.00 0.27 -0.36 4.31 -0.26 -1.65 0.32 115.58 118.20 1nx7 h ASN 57 Ca 0.06 -0.03 0.07 0.00 -0.56 0.00 0.00 56.30 55.83 1nx7 h ASN 57 Cb 0.15 -0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.28 1nx7 h ASN 57 CO -0.34 0.33 -0.01 0.15 -1.06 0.00 0.00 177.43 176.50 1nx7 h PHE 58 N 0.29 -0.03 0.21 1.19 3.57 0.41 -3.34 116.94 119.24 1nx7 h PHE 58 Ca 0.07 0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.28 1nx7 h PHE 58 Cb 0.21 0.07 0.02 0.00 2.79 0.00 0.00 35.95 39.04 1nx7 h PHE 58 CO 0.00 -0.07 -1.46 0.93 -2.23 0.00 0.00 178.31 175.48 1nx7 h GLU 59 N 0.09 0.44 0.00 1.11 4.39 -0.07 -2.98 114.58 117.56 1nx7 h GLU 59 Ca 0.18 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1nx7 h GLU 59 Cb 0.25 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1nx7 h GLU 59 CO -0.30 1.36 0.00 -3.47 -1.16 0.00 0.00 179.01 175.44 1nx7 n ASP 60 N -3.76 0.00 -0.25 1.42 2.03 0.10 -0.40 116.55 115.68 1nx7 n ASP 60 Ca -0.20 0.23 0.13 0.00 0.52 0.00 0.00 54.79 55.47 1nx7 n ASP 60 Cb 1.04 -0.11 0.43 0.00 -0.72 0.00 0.00 41.12 41.76 1nx7 n ASP 60 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1nx7 n VAL 61 N -2.16 0.00 -3.06 5.18 3.14 -1.26 -4.97 118.33 115.20 1nx7 n VAL 61 Ca 0.00 -0.13 -0.13 0.00 -2.96 0.00 0.00 64.34 61.11 1nx7 n VAL 61 Cb 0.00 0.34 0.06 0.00 -1.06 0.00 0.00 33.84 33.18 1nx7 n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nx7 n GLY 62 N 1.31 -0.77 3.52 7.55 0.00 0.46 -4.91 105.19 112.35 1nx7 n GLY 62 Ca 0.13 0.39 -0.53 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.14 0.76 -0.69 1.61 8.25 -1.13 -4.88 115.22 116.00 1nx7 n HIS 63 Ca -0.10 0.87 -0.31 0.00 -0.26 0.00 0.00 57.72 57.92 1nx7 n HIS 63 Cb 0.61 -2.16 0.16 0.00 1.12 0.00 0.00 29.99 29.73 1nx7 n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1nx7 n SER 64 N 1.88 -0.08 -0.16 0.41 3.41 -1.26 -4.51 113.62 113.31 1nx7 n SER 64 Ca 0.18 0.39 -0.13 0.00 -0.26 0.00 0.00 58.87 59.05 1nx7 n SER 64 Cb 0.18 -1.43 -0.09 0.00 -0.26 0.00 0.00 64.21 62.60 1nx7 n SER 64 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1nx7 h THR 65 N -1.87 0.01 -1.04 6.66 2.02 -1.99 0.26 112.91 116.96 1nx7 h THR 65 Ca -0.43 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.06 1nx7 h THR 65 Cb 1.27 0.01 -0.14 0.00 -1.74 0.00 0.00 68.15 67.56 1nx7 h THR 65 CO 0.40 0.00 0.62 0.44 0.37 0.00 0.00 175.52 177.35 1nx7 h ASP 66 N -0.37 0.51 0.11 4.18 5.19 -1.98 0.01 116.42 124.07 1nx7 h ASP 66 Ca 0.09 0.16 -0.28 0.00 -0.62 0.00 0.00 57.03 56.38 1nx7 h ASP 66 Cb 0.59 0.10 0.02 0.00 0.18 0.00 0.00 39.33 40.22 1nx7 h ASP 66 CO -0.62 -0.07 -1.13 0.00 -3.12 0.00 0.00 179.24 174.29 1nx7 h ALA 67 N 1.78 0.09 -0.76 3.45 0.00 -1.08 0.31 119.26 123.04 1nx7 h ALA 67 Ca 0.71 -0.74 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1nx7 h ALA 67 Cb 1.68 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 1nx7 h ALA 67 CO -0.53 0.71 0.43 0.00 0.00 0.00 0.00 179.25 179.87 1nx7 h ARG 68 N 0.32 0.75 0.04 0.00 2.47 0.28 0.14 114.38 118.38 1nx7 h ARG 68 Ca -0.15 -0.04 -0.27 0.00 -1.26 0.00 0.00 59.98 58.25 1nx7 h ARG 68 Cb 1.80 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 29.92 1nx7 h ARG 68 CO 0.22 0.49 -1.40 0.93 0.56 0.00 0.00 179.97 180.77 1nx7 h GLU 69 N 0.77 0.09 -0.28 0.04 4.39 -0.85 -3.24 114.58 115.50 1nx7 h GLU 69 Ca 0.35 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.91 1nx7 h GLU 69 Cb 0.25 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1nx7 h GLU 69 CO -0.21 0.90 0.13 1.25 -1.16 0.00 0.00 179.01 179.92 1nx7 h LEU 70 N 0.02 0.19 -1.69 1.33 5.85 -0.25 -3.03 115.31 117.73 1nx7 h LEU 70 Ca -0.17 0.02 0.27 0.00 0.84 0.00 0.00 57.88 58.83 1nx7 h LEU 70 Cb 1.93 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.88 1nx7 h LEU 70 CO 0.13 0.14 0.69 0.77 -0.34 0.00 0.00 178.44 179.83 1nx7 h SER 71 N 0.28 0.23 -0.99 1.25 4.64 -0.74 0.07 113.55 118.28 1nx7 h SER 71 Ca 0.12 0.04 0.19 0.00 -0.47 0.00 0.00 61.79 61.66 1nx7 h SER 71 Cb 0.05 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.04 1nx7 h SER 71 CO -0.09 0.06 0.61 0.11 -0.87 0.00 0.00 176.83 176.66 1nx7 h LYS 72 N 0.21 0.70 0.00 4.77 1.79 -1.62 -0.35 116.57 122.08 1nx7 h LYS 72 Ca 0.52 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 1nx7 h LYS 72 Cb 1.65 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 1nx7 h LYS 72 CO -0.14 0.47 0.00 0.25 -1.08 0.00 0.00 179.45 178.95 1nx7 n THR 73 N -4.71 1.10 0.54 -0.16 -2.24 0.01 -1.44 114.28 107.38 1nx7 n THR 73 Ca 0.22 0.60 0.10 0.00 -2.27 0.00 0.00 64.05 62.70 1nx7 n THR 73 Cb 0.58 -1.57 0.14 0.00 -2.10 0.00 0.00 70.33 67.38 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 -2.15 0.24 -2.30 4.78 3.72 -0.14 -4.96 117.46 116.65 1nx7 n PHE 74 Ca -0.00 -0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 1nx7 n PHE 74 Cb 0.07 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.54 3.98 -0.08 4.37 1.01 -0.52 -0.74 121.20 127.67 1nx7 s ILE 75 Ca 0.30 1.28 0.10 0.00 0.00 0.00 0.00 60.65 62.33 1nx7 s ILE 75 Cb 0.19 -3.82 -0.14 0.00 0.01 0.00 0.00 42.46 38.69 1nx7 s ILE 75 CO 0.27 -0.05 0.10 2.30 0.00 0.00 0.00 174.94 177.56 1nx7 n ILE 76 N 4.95 0.52 -2.78 2.92 -5.35 -0.46 -4.95 119.36 114.21 1nx7 n ILE 76 Ca 0.13 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1nx7 n ILE 76 Cb 0.44 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 2.20 1.83 3.49 3.28 0.00 -1.22 -3.59 105.19 111.19 1nx7 n GLY 77 Ca -0.13 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.19 1.36 -0.09 1.61 2.02 -0.36 -0.23 118.70 122.82 1nx7 s GLU 78 Ca 0.00 -0.55 -0.33 0.00 0.02 0.00 0.00 54.97 54.10 1nx7 s GLU 78 Cb 0.00 0.59 -0.11 0.00 0.10 0.00 0.00 34.13 34.71 1nx7 s GLU 78 CO 0.00 -0.60 1.93 -0.11 0.02 0.00 0.00 175.26 176.49 1nx7 n LEU 79 N -0.39 3.51 -4.45 1.80 7.94 0.11 0.46 117.00 125.97 1nx7 n LEU 79 Ca -0.15 0.91 -0.48 0.00 -1.11 0.00 0.00 56.01 55.18 1nx7 n LEU 79 Cb 0.64 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 1nx7 n LEU 79 CO 0.12 -0.06 0.20 1.57 -1.11 0.00 0.00 177.39 178.11 1nx7 n HIS 80 N 7.14 0.05 0.00 1.96 -0.00 0.34 -4.55 115.22 120.16 1nx7 n HIS 80 Ca 0.23 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.87 1nx7 n HIS 80 Cb 0.32 -2.04 0.00 0.00 -0.00 0.00 0.00 29.99 28.26 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 1.05 0.00 -0.00 1.57 -0.04 -1.26 -0.24 135.00 136.07 1nx7 n PRO 81 Ca 0.16 0.42 -0.02 0.00 -0.04 0.00 0.00 63.50 64.02 1nx7 n PRO 81 Cb 0.25 -1.52 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.42 0.66 -0.02 3.54 2.03 -1.26 -4.42 116.55 115.66 1nx7 n ASP 82 Ca 0.00 0.29 -0.01 0.00 0.52 0.00 0.00 54.79 55.59 1nx7 n ASP 82 Cb 0.02 0.40 -0.13 0.00 -0.72 0.00 0.00 41.12 40.69 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 -2.85 0.40 0.00 1.67 -0.08 0.66 -5.19 116.55 111.17 1nx7 n ASP 83 Ca -0.14 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1nx7 n ASP 83 Cb 0.91 0.80 0.00 0.00 2.34 0.00 0.00 41.12 45.17 1nx7 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86