#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 0.04 -0.19 0.00 0.11 -1.26 -4.87 120.40 114.23 1nx7 s VAL 4 Ca 0.00 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1nx7 s VAL 4 Cb 0.00 -0.73 0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1nx7 s VAL 4 CO 0.00 -0.17 -0.09 -0.54 -3.33 0.00 0.00 175.10 170.97 1nx7 s LYS 5 N -1.22 1.89 -0.17 1.54 1.02 -1.19 -5.00 119.74 116.61 1nx7 s LYS 5 Ca -0.12 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 54.83 1nx7 s LYS 5 Cb -0.04 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1nx7 s LYS 5 CO 0.06 -0.42 1.37 0.71 -0.92 0.00 0.00 175.35 176.15 1nx7 s TYR 6 N 1.46 2.60 -0.03 3.18 2.02 -1.26 -1.86 117.35 123.46 1nx7 s TYR 6 Ca -0.00 0.79 0.07 0.00 -0.37 0.00 0.00 57.07 57.56 1nx7 s TYR 6 Cb -0.16 -3.67 -0.02 0.00 -0.40 0.00 0.00 41.96 37.71 1nx7 s TYR 6 CO -0.08 -2.22 -0.23 0.71 -1.57 0.00 0.00 175.55 172.16 1nx7 s TYR 7 N 3.86 2.14 0.57 2.71 2.02 0.12 -4.72 117.35 124.04 1nx7 s TYR 7 Ca 0.60 -0.47 -0.04 0.00 -0.37 0.00 0.00 57.07 56.78 1nx7 s TYR 7 Cb -0.23 -1.39 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 1nx7 s TYR 7 CO 0.20 -0.08 0.86 -0.08 -1.57 0.00 0.00 175.55 174.87 1nx7 s THR 8 N -0.43 3.64 0.37 -0.71 -1.32 -1.26 -0.42 115.64 115.52 1nx7 s THR 8 Ca 0.06 -0.12 0.21 0.00 -1.21 0.00 0.00 61.69 60.62 1nx7 s THR 8 Cb -0.10 -3.43 0.36 0.00 -1.51 0.00 0.00 72.50 67.83 1nx7 s THR 8 CO 0.00 -0.41 1.60 -0.07 -2.21 0.00 0.00 174.62 173.53 1nx7 h LEU 9 N -0.07 0.34 0.17 9.08 3.38 -1.97 0.92 115.31 127.16 1nx7 h LEU 9 Ca -0.45 0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1nx7 h LEU 9 Cb 1.26 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.20 1nx7 h LEU 9 CO 0.60 -0.36 -0.48 -0.08 0.09 0.00 0.00 178.44 178.20 1nx7 h GLU 10 N 0.06 -0.72 -0.89 1.13 4.57 -1.96 0.22 114.58 116.98 1nx7 h GLU 10 Ca 0.83 0.05 0.22 0.00 -1.18 0.00 0.00 59.36 59.28 1nx7 h GLU 10 Cb 2.22 0.16 -0.16 0.00 -0.16 0.00 0.00 28.75 30.81 1nx7 h GLU 10 CO -0.70 -0.48 0.01 0.93 -1.18 0.00 0.00 179.01 177.58 1nx7 h GLU 11 N -0.75 0.06 -0.67 1.92 3.07 -1.18 0.31 114.58 117.34 1nx7 h GLU 11 Ca -0.00 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 1nx7 h GLU 11 Cb 0.75 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.62 1nx7 h GLU 11 CO -0.24 0.04 0.16 0.82 -1.40 0.00 0.00 179.01 178.39 1nx7 h ILE 12 N 0.06 1.26 -0.87 3.13 5.03 -1.13 -3.23 117.51 121.76 1nx7 h ILE 12 Ca 0.51 -0.94 0.01 0.00 -0.12 0.00 0.00 64.86 64.33 1nx7 h ILE 12 Cb 0.98 0.57 -0.04 0.00 -3.03 0.00 0.00 36.82 35.29 1nx7 h ILE 12 CO -0.81 0.36 0.58 -0.61 -0.68 0.00 0.00 178.15 176.98 1nx7 h GLN 13 N 1.01 1.13 0.00 2.37 4.15 0.29 0.23 115.11 124.29 1nx7 h GLN 13 Ca 0.21 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1nx7 h GLN 13 Cb 0.35 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1nx7 h GLN 13 CO 0.00 0.75 0.00 1.63 -1.93 0.00 0.00 178.83 179.28 1nx7 n LYS 14 N -4.41 0.11 -3.57 1.69 5.02 -0.67 -4.38 118.16 111.96 1nx7 n LYS 14 Ca 0.10 0.22 -0.27 0.00 -2.02 0.00 0.00 58.31 56.34 1nx7 n LYS 14 Cb 0.03 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.35 1.27 -1.94 2.13 8.25 0.81 -4.81 115.22 119.57 1nx7 n HIS 15 Ca 0.04 -3.82 -0.05 0.00 -0.26 0.00 0.00 57.72 53.63 1nx7 n HIS 15 Cb 0.10 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 30.92 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 2.11 -0.71 -3.95 0.41 6.94 0.06 -0.76 115.26 119.36 1nx7 n ASN 16 Ca 0.25 -1.61 -0.31 0.00 -0.02 0.00 0.00 54.58 52.89 1nx7 n ASN 16 Cb 0.43 0.21 -0.15 0.00 -2.36 0.00 0.00 39.78 37.91 1nx7 n ASN 16 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1nx7 s ASN 17 N -0.71 4.11 0.00 0.53 2.20 0.14 -4.89 114.94 116.32 1nx7 s ASN 17 Ca 0.00 -1.42 0.00 0.00 -0.94 0.00 0.00 52.86 50.50 1nx7 s ASN 17 Cb 0.00 -1.27 0.00 0.00 -2.00 0.00 0.00 41.25 37.98 1nx7 s ASN 17 CO 0.00 -0.27 0.00 -0.24 -2.94 0.00 0.00 177.10 173.65 1nx7 n SER 18 N 4.59 0.00 -0.06 3.54 2.88 -1.26 -1.27 113.62 122.04 1nx7 n SER 18 Ca -0.09 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.34 1nx7 n SER 18 Cb 0.43 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.26 -1.51 -1.46 3.00 -1.26 -4.98 118.16 112.21 1nx7 n LYS 19 Ca 0.00 0.09 -0.40 0.00 -0.00 0.00 0.00 58.31 58.00 1nx7 n LYS 19 Cb 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 35.03 33.92 1nx7 n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1nx7 n SER 20 N -3.30 1.15 -3.60 3.14 7.64 -0.40 -4.37 113.62 113.87 1nx7 n SER 20 Ca -0.22 -0.04 -0.26 0.00 1.01 0.00 0.00 58.87 59.37 1nx7 n SER 20 Cb 0.68 -1.18 -0.17 0.00 -1.01 0.00 0.00 64.21 62.53 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 9.95 -0.10 0.14 0.44 2.01 -1.25 0.26 115.64 127.09 1nx7 s THR 21 Ca 1.20 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 63.12 1nx7 s THR 21 Cb -0.86 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1nx7 s THR 21 CO 0.41 -0.28 -0.09 0.26 -0.69 0.00 0.00 174.62 174.24 1nx7 s TRP 22 N 2.15 2.71 0.28 4.92 0.52 0.06 0.05 118.94 129.64 1nx7 s TRP 22 Ca 0.02 -0.18 -0.13 0.00 0.02 0.00 0.00 56.10 55.83 1nx7 s TRP 22 Cb -0.16 -1.37 0.01 0.00 -1.15 0.00 0.00 33.47 30.80 1nx7 s TRP 22 CO -0.09 0.47 0.55 -0.48 0.02 0.00 0.00 176.95 177.42 1nx7 s LEU 23 N -2.55 0.30 -0.13 2.99 0.05 -0.95 -0.35 118.68 118.03 1nx7 s LEU 23 Ca 0.23 -0.99 0.01 0.00 0.05 0.00 0.00 54.13 53.43 1nx7 s LEU 23 Cb -0.10 2.01 0.02 0.00 -2.05 0.00 0.00 46.19 46.07 1nx7 s LEU 23 CO 0.15 -1.27 -0.14 -0.63 -0.55 0.00 0.00 176.35 173.91 1nx7 s ILE 24 N -3.64 1.54 -0.57 1.48 1.01 -1.07 -0.45 121.20 119.50 1nx7 s ILE 24 Ca 0.21 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1nx7 s ILE 24 Cb -0.02 -1.43 0.14 0.00 0.01 0.00 0.00 42.46 41.16 1nx7 s ILE 24 CO 0.11 0.45 0.34 -0.76 0.00 0.00 0.00 174.94 175.08 1nx7 s LEU 25 N 1.32 4.56 -0.54 2.97 1.02 0.05 0.20 118.68 128.27 1nx7 s LEU 25 Ca 0.01 -3.14 -0.14 0.00 0.02 0.00 0.00 54.13 50.88 1nx7 s LEU 25 Cb -0.13 -1.68 0.02 0.00 0.02 0.00 0.00 46.19 44.42 1nx7 s LEU 25 CO -0.08 -0.23 0.64 1.41 0.02 0.00 0.00 176.35 178.11 1nx7 n HIS 26 N 2.96 -3.17 0.00 0.29 8.25 -1.26 -3.56 115.22 118.73 1nx7 n HIS 26 Ca 0.08 1.27 0.00 0.00 -0.26 0.00 0.00 57.72 58.81 1nx7 n HIS 26 Cb 0.33 -3.71 0.00 0.00 1.12 0.00 0.00 29.99 27.73 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 -0.81 0.00 -2.93 4.41 4.01 -1.26 -4.92 117.16 115.66 1nx7 n TYR 27 Ca 0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.41 1nx7 n TYR 27 Cb 0.52 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.44 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 4.44 -0.25 -0.72 1.02 -1.23 0.06 119.74 123.06 1nx7 s LYS 28 Ca 0.00 1.12 -0.07 0.00 0.02 0.00 0.00 55.97 57.04 1nx7 s LYS 28 Cb 0.00 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1nx7 s LYS 28 CO 0.00 0.35 0.07 0.08 -0.92 0.00 0.00 175.35 174.92 1nx7 s VAL 29 N -1.55 4.29 -0.25 3.17 1.01 0.86 -0.77 120.40 127.17 1nx7 s VAL 29 Ca 0.46 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 1nx7 s VAL 29 Cb -0.18 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1nx7 s VAL 29 CO 0.23 0.34 0.07 -0.31 0.00 0.00 0.00 175.10 175.43 1nx7 s TYR 30 N 1.58 3.09 -0.20 5.22 1.51 0.41 -1.31 117.35 127.64 1nx7 s TYR 30 Ca 0.06 -0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 1nx7 s TYR 30 Cb -0.15 -2.24 -0.18 0.00 -0.11 0.00 0.00 41.96 39.27 1nx7 s TYR 30 CO 0.03 -0.37 3.39 -0.40 -1.11 0.00 0.00 175.55 177.09 1nx7 n ASP 31 N 4.92 5.73 0.00 2.29 5.75 0.11 -2.23 116.55 133.12 1nx7 n ASP 31 Ca -0.16 -2.65 0.05 0.00 -0.01 0.00 0.00 54.79 52.02 1nx7 n ASP 31 Cb 0.51 -1.39 0.27 0.00 -1.03 0.00 0.00 41.12 39.49 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 2.19 0.00 -0.10 -2.12 4.77 -0.77 -3.45 117.00 117.53 1nx7 n LEU 32 Ca 0.46 0.34 0.01 0.00 -0.03 0.00 0.00 56.01 56.80 1nx7 n LEU 32 Cb 0.79 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1nx7 n LEU 32 CO 0.21 -0.21 0.17 0.41 -1.33 0.00 0.00 177.39 176.64 1nx7 n THR 33 N -1.34 -0.11 0.03 -5.08 -1.04 0.11 0.57 114.28 107.40 1nx7 n THR 33 Ca 0.05 0.60 0.02 0.00 -2.04 0.00 0.00 64.05 62.68 1nx7 n THR 33 Cb 0.10 -0.83 -0.08 0.00 -1.82 0.00 0.00 70.33 67.70 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 -4.42 0.63 0.11 -2.82 -0.00 -1.22 -4.35 118.16 106.09 1nx7 n LYS 34 Ca 0.04 0.13 -0.03 0.00 -0.00 0.00 0.00 58.31 58.45 1nx7 n LYS 34 Cb 0.13 -1.75 0.14 0.00 -0.00 0.00 0.00 35.03 33.55 1nx7 n LYS 34 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1nx7 h PHE 35 N 0.00 0.15 -0.11 5.58 3.57 -0.10 -3.34 116.94 122.70 1nx7 h PHE 35 Ca -0.15 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.30 1nx7 h PHE 35 Cb 1.47 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 1nx7 h PHE 35 CO 0.00 0.70 -0.06 1.28 -2.23 0.00 0.00 178.31 178.00 1nx7 n LEU 36 N -3.84 -0.11 0.13 0.59 4.77 0.29 -0.28 117.00 118.55 1nx7 n LEU 36 Ca -0.02 0.19 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 1nx7 n LEU 36 Cb 0.62 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1nx7 n LEU 36 CO 0.43 -0.16 0.29 -0.33 -1.33 0.00 0.00 177.39 176.29 1nx7 h GLU 37 N 0.00 0.00 0.03 3.23 5.08 -1.88 -2.46 114.58 118.58 1nx7 h GLU 37 Ca 0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 1nx7 h GLU 37 Cb 0.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.32 1nx7 h GLU 37 CO -0.10 0.23 -0.87 0.93 -1.00 0.00 0.00 179.01 178.19 1nx7 h GLU 38 N 0.00 0.53 -6.41 2.33 5.08 -0.82 -3.47 114.58 111.82 1nx7 h GLU 38 Ca -0.04 -0.62 -0.59 0.00 -1.00 0.00 0.00 59.36 57.12 1nx7 h GLU 38 Cb 1.25 0.19 0.04 0.00 0.50 0.00 0.00 28.75 30.73 1nx7 h GLU 38 CO 0.03 1.24 0.98 1.58 -1.00 0.00 0.00 179.01 181.84 1nx7 n HIS 39 N -4.02 2.36 0.14 4.33 -0.00 0.54 -4.90 115.22 113.67 1nx7 n HIS 39 Ca -0.11 0.07 0.15 0.00 0.46 0.00 0.00 57.72 58.29 1nx7 n HIS 39 Cb 0.81 -2.63 0.69 0.00 -0.12 0.00 0.00 29.99 28.74 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 7.78 0.00 -0.67 1.57 0.13 -1.91 0.13 132.00 139.03 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1nx7 h PRO 40 CO 0.92 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1nx7 n GLY 41 N -1.56 1.09 6.37 1.56 0.00 -1.26 -5.04 105.19 106.35 1nx7 n GLY 41 Ca 0.03 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.32 -1.35 0.13 -0.02 0.00 0.46 -4.53 105.19 100.20 1nx7 n GLY 42 Ca 0.05 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.60 0.71 -0.34 1.61 0.00 -0.93 -4.59 120.64 115.49 1nx7 n GLU 43 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 57.16 57.43 1nx7 n GLU 43 Cb 0.05 -1.69 -0.00 0.00 0.00 0.00 0.00 31.44 29.80 1nx7 n GLU 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1nx7 n GLU 44 N -3.65 -0.26 -0.26 3.44 2.13 -1.26 0.08 120.64 120.85 1nx7 n GLU 44 Ca -0.34 1.33 0.01 0.00 0.66 0.00 0.00 57.16 58.81 1nx7 n GLU 44 Cb 0.97 -1.96 0.13 0.00 0.27 0.00 0.00 31.44 30.85 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 0.94 -0.06 6.31 -1.51 -1.81 0.16 116.25 120.27 1nx7 h VAL 45 Ca 0.25 -0.26 -0.13 0.00 -1.23 0.00 0.00 66.70 65.33 1nx7 h VAL 45 Cb 0.47 0.13 0.01 0.00 -2.13 0.00 0.00 31.29 29.76 1nx7 h VAL 45 CO -0.85 0.14 -0.47 -0.07 -1.23 0.00 0.00 177.57 175.09 1nx7 h LEU 46 N 0.74 0.52 -0.48 4.19 3.38 -0.61 -2.54 115.31 120.51 1nx7 h LEU 46 Ca 0.35 -0.69 0.08 0.00 0.09 0.00 0.00 57.88 57.72 1nx7 h LEU 46 Cb 0.28 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1nx7 h LEU 46 CO -0.22 1.12 0.09 -0.09 0.09 0.00 0.00 178.44 179.44 1nx7 h ARG 47 N -0.05 0.22 -0.69 1.13 2.43 -0.32 0.45 114.38 117.54 1nx7 h ARG 47 Ca -0.04 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1nx7 h ARG 47 Cb 1.14 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 1nx7 h ARG 47 CO 0.10 0.14 0.39 0.93 -1.51 0.00 0.00 179.97 180.02 1nx7 h GLU 48 N 0.23 0.69 0.00 0.20 5.08 -0.67 -1.02 114.58 119.08 1nx7 h GLU 48 Ca 0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1nx7 h GLU 48 Cb 0.32 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1nx7 h GLU 48 CO -0.32 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 179.19 1nx7 n GLN 49 N -4.78 0.08 -1.78 2.33 1.13 -0.76 -4.92 117.38 108.68 1nx7 n GLN 49 Ca 0.09 0.16 -0.41 0.00 -1.94 0.00 0.00 57.00 54.89 1nx7 n GLN 49 Cb 0.18 -1.61 -0.01 0.00 0.11 0.00 0.00 30.24 28.91 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 -3.06 3.73 0.00 -1.58 0.00 0.15 -2.38 121.76 118.62 1nx7 s ALA 50 Ca 0.10 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1nx7 s ALA 50 Cb 0.14 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1nx7 s ALA 50 CO 0.46 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1nx7 n GLY 51 N 1.99 0.41 3.72 0.00 0.00 0.52 -4.78 105.19 107.05 1nx7 n GLY 51 Ca 0.07 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.95 -0.05 0.13 -0.02 0.00 -1.00 -4.22 107.32 99.21 1nx7 s GLY 52 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 44.72 44.10 1nx7 s GLY 52 CO 0.00 -0.17 1.72 2.09 0.00 0.00 0.00 173.10 176.74 1nx7 n ASP 53 N -0.42 3.64 -0.52 1.64 5.75 -1.26 -2.59 116.55 122.79 1nx7 n ASP 53 Ca -0.06 1.04 0.08 0.00 -0.01 0.00 0.00 54.79 55.84 1nx7 n ASP 53 Cb 0.61 -1.49 0.19 0.00 -1.03 0.00 0.00 41.12 39.39 1nx7 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nx7 n ALA 54 N 4.56 2.60 -0.29 2.12 0.00 0.45 -4.65 120.51 125.30 1nx7 n ALA 54 Ca 0.18 -2.24 0.11 0.00 0.00 0.00 0.00 53.44 51.49 1nx7 n ALA 54 Cb 0.33 -0.52 0.26 0.00 0.00 0.00 0.00 19.45 19.52 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 1.07 0.33 -0.13 0.00 2.02 -0.59 0.21 112.91 115.82 1nx7 h THR 55 Ca 0.00 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1nx7 h THR 55 Cb 1.16 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1nx7 h THR 55 CO 0.11 0.04 -0.15 -0.08 0.37 0.00 0.00 175.52 175.81 1nx7 h GLU 56 N 0.20 -0.08 -0.38 6.66 4.57 -1.85 0.14 114.58 123.83 1nx7 h GLU 56 Ca 0.52 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.77 1nx7 h GLU 56 Cb 1.03 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.59 1nx7 h GLU 56 CO -0.65 -0.06 0.08 -0.91 -1.18 0.00 0.00 179.01 176.30 1nx7 h ASN 57 N -0.09 0.02 -0.56 1.04 2.35 -1.51 0.25 115.58 117.09 1nx7 h ASN 57 Ca 0.02 0.06 0.11 0.00 -0.55 0.00 0.00 56.30 55.95 1nx7 h ASN 57 Cb 0.15 0.08 -0.10 0.00 0.05 0.00 0.00 38.32 38.49 1nx7 h ASN 57 CO -0.17 0.05 -0.09 0.15 -1.65 0.00 0.00 177.43 175.72 1nx7 h PHE 58 N 0.21 -0.21 0.03 1.19 3.57 -0.28 0.22 116.94 121.68 1nx7 h PHE 58 Ca 0.18 0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 1nx7 h PHE 58 Cb 0.21 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1nx7 h PHE 58 CO -0.19 -0.21 -0.78 0.93 -2.23 0.00 0.00 178.31 175.83 1nx7 h GLU 59 N 0.04 0.07 -0.09 1.11 4.39 -0.20 -1.98 114.58 117.92 1nx7 h GLU 59 Ca 0.28 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.89 1nx7 h GLU 59 Cb 0.43 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 1nx7 h GLU 59 CO -0.55 1.06 -0.13 0.22 -1.16 0.00 0.00 179.01 178.45 1nx7 h ASP 60 N -0.81 -0.41 -2.02 1.42 3.58 -0.56 -1.23 116.42 116.39 1nx7 h ASP 60 Ca -0.19 0.07 -0.77 0.00 0.42 0.00 0.00 57.03 56.56 1nx7 h ASP 60 Cb 1.31 0.19 -0.28 0.00 1.72 0.00 0.00 39.33 42.27 1nx7 h ASP 60 CO -0.05 -0.18 0.98 0.52 -2.88 0.00 0.00 179.24 177.63 1nx7 n VAL 61 N -5.28 3.92 -1.01 2.25 0.31 0.07 -4.97 118.33 113.62 1nx7 n VAL 61 Ca -0.04 -4.58 -0.02 0.00 -0.01 0.00 0.00 64.34 59.69 1nx7 n VAL 61 Cb 0.19 -1.29 -0.01 0.00 -0.91 0.00 0.00 33.84 31.83 1nx7 n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nx7 n GLY 62 N -0.46 -0.00 0.00 2.92 0.00 -0.47 -4.72 105.19 102.45 1nx7 n GLY 62 Ca 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 5.01 0.00 -3.62 1.61 8.25 -1.26 -4.90 115.22 120.31 1nx7 n HIS 63 Ca 0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.45 1nx7 n HIS 63 Cb 0.40 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.20 1nx7 n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1nx7 s SER 64 N -2.93 -0.14 0.16 0.41 0.01 -1.26 -5.00 113.70 104.95 1nx7 s SER 64 Ca 0.00 0.15 -0.24 0.00 1.31 0.00 0.00 55.95 57.17 1nx7 s SER 64 Cb 0.00 0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.39 1nx7 s SER 64 CO 0.00 -0.14 1.59 0.74 0.41 0.00 0.00 173.24 175.85 1nx7 h THR 65 N 2.21 0.20 -0.98 1.44 2.02 -2.00 -0.10 112.91 115.70 1nx7 h THR 65 Ca -0.11 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.37 1nx7 h THR 65 Cb 1.18 0.20 -0.18 0.00 -1.74 0.00 0.00 68.15 67.61 1nx7 h THR 65 CO 0.25 0.00 0.15 0.44 0.37 0.00 0.00 175.52 176.73 1nx7 h ASP 66 N -0.28 -0.28 0.09 4.18 5.19 -1.98 0.91 116.42 124.25 1nx7 h ASP 66 Ca 0.16 0.27 -0.19 0.00 -0.62 0.00 0.00 57.03 56.65 1nx7 h ASP 66 Cb 0.55 0.42 -0.00 0.00 0.18 0.00 0.00 39.33 40.49 1nx7 h ASP 66 CO -0.54 -0.35 -0.72 0.00 -3.12 0.00 0.00 179.24 174.51 1nx7 h ALA 67 N 1.97 0.52 -0.60 3.45 0.00 -1.44 0.31 119.26 123.47 1nx7 h ALA 67 Ca 0.65 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nx7 h ALA 67 Cb 1.43 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1nx7 h ALA 67 CO -0.87 0.73 0.37 -0.09 0.00 0.00 0.00 179.25 179.39 1nx7 h ARG 68 N 0.38 0.80 0.04 0.00 2.43 0.04 0.11 114.38 118.18 1nx7 h ARG 68 Ca -0.03 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 58.85 1nx7 h ARG 68 Cb 1.30 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1nx7 h ARG 68 CO 0.13 0.55 -1.06 0.93 -1.51 0.00 0.00 179.97 179.02 1nx7 h GLU 69 N 0.81 0.10 -0.02 0.20 4.39 -0.72 -3.15 114.58 116.19 1nx7 h GLU 69 Ca 0.22 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1nx7 h GLU 69 Cb -0.05 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1nx7 h GLU 69 CO -0.04 1.06 0.01 1.25 -1.16 0.00 0.00 179.01 180.13 1nx7 h LEU 70 N 0.03 0.02 -1.92 1.33 5.85 -0.31 -3.19 115.31 117.13 1nx7 h LEU 70 Ca -0.05 -0.05 0.35 0.00 0.84 0.00 0.00 57.88 58.97 1nx7 h LEU 70 Cb 1.80 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.77 1nx7 h LEU 70 CO 0.15 0.06 0.86 0.77 -0.34 0.00 0.00 178.44 179.94 1nx7 h SER 71 N -0.02 0.05 -0.97 1.25 4.64 -0.72 -0.30 113.55 117.48 1nx7 h SER 71 Ca 0.01 0.01 0.20 0.00 -0.47 0.00 0.00 61.79 61.54 1nx7 h SER 71 Cb 0.04 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.05 1nx7 h SER 71 CO -0.00 0.00 0.62 0.11 -0.87 0.00 0.00 176.83 176.69 1nx7 h LYS 72 N 0.04 0.57 -0.02 4.77 1.79 -1.63 0.21 116.57 122.30 1nx7 h LYS 72 Ca 0.59 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 59.03 1nx7 h LYS 72 Cb 2.25 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 32.77 1nx7 h LYS 72 CO -0.05 0.38 0.10 1.79 -1.08 0.00 0.00 179.45 180.60 1nx7 h THR 73 N 0.59 0.11 -0.28 -0.16 1.35 -1.26 -1.89 112.91 111.36 1nx7 h THR 73 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 1nx7 h THR 73 Cb 1.07 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1nx7 h THR 73 CO -0.29 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.47 1nx7 n PHE 74 N -3.20 0.36 -2.36 4.73 3.72 0.06 -4.95 117.46 115.82 1nx7 n PHE 74 Ca -0.02 -0.23 -0.43 0.00 -0.05 0.00 0.00 57.45 56.72 1nx7 n PHE 74 Cb 0.18 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.29 4.15 -0.13 4.37 1.01 -0.71 -0.71 121.20 127.87 1nx7 s ILE 75 Ca 0.29 1.36 0.15 0.00 0.00 0.00 0.00 60.65 62.46 1nx7 s ILE 75 Cb 0.18 -3.96 -0.21 0.00 0.01 0.00 0.00 42.46 38.47 1nx7 s ILE 75 CO 0.25 -0.21 0.12 2.30 0.00 0.00 0.00 174.94 177.39 1nx7 n ILE 76 N 5.62 0.90 -3.25 2.92 -5.35 -0.43 -4.95 119.36 114.82 1nx7 n ILE 76 Ca 0.15 -0.63 -0.03 0.00 -0.27 0.00 0.00 62.75 61.97 1nx7 n ILE 76 Cb 0.45 -0.45 0.01 0.00 -1.74 0.00 0.00 39.64 37.91 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 1.92 1.70 3.39 3.28 0.00 -1.18 -3.18 105.19 111.11 1nx7 n GLY 77 Ca -0.22 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.03 1.09 -0.11 1.61 2.02 -0.78 -0.09 118.70 120.40 1nx7 s GLU 78 Ca 0.05 -0.34 -0.31 0.00 0.02 0.00 0.00 54.97 54.39 1nx7 s GLU 78 Cb -0.01 0.50 -0.09 0.00 0.10 0.00 0.00 34.13 34.62 1nx7 s GLU 78 CO 0.04 -0.41 2.03 -0.11 0.02 0.00 0.00 175.26 176.83 1nx7 n LEU 79 N 0.17 3.50 -4.45 1.80 7.94 0.11 0.12 117.00 126.19 1nx7 n LEU 79 Ca -0.18 0.69 -0.53 0.00 -1.11 0.00 0.00 56.01 54.88 1nx7 n LEU 79 Cb 0.62 -1.46 -0.05 0.00 0.53 0.00 0.00 43.42 43.06 1nx7 n LEU 79 CO 0.18 -0.20 0.28 1.57 -1.11 0.00 0.00 177.39 178.10 1nx7 n HIS 80 N 8.59 0.08 0.00 1.96 -0.00 0.44 -4.39 115.22 121.90 1nx7 n HIS 80 Ca 0.26 1.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.98 1nx7 n HIS 80 Cb 0.36 -2.03 0.00 0.00 -0.00 0.00 0.00 29.99 28.33 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 1.25 0.00 -0.05 1.57 -0.04 -1.26 -0.46 135.00 136.00 1nx7 n PRO 81 Ca 0.19 0.40 -0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1nx7 n PRO 81 Cb 0.17 -1.51 -0.15 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.40 0.70 -0.05 3.54 2.03 -1.26 -4.55 116.55 115.55 1nx7 n ASP 82 Ca 0.00 0.22 -0.01 0.00 0.52 0.00 0.00 54.79 55.52 1nx7 n ASP 82 Cb 0.01 0.25 -0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.01 0.00 0.00 1.67 1.82 -1.10 -3.54 116.42 115.28 1nx7 h ASP 83 Ca -0.41 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 1nx7 h ASP 83 Cb 2.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.11 1nx7 h ASP 83 CO 0.05 0.53 0.00 0.54 -1.61 0.00 0.00 179.24 178.76