#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 0.00 -0.31 0.00 0.11 -1.26 -4.97 120.40 113.97 1nx7 s VAL 4 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1nx7 s VAL 4 Cb 0.00 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 1nx7 s VAL 4 CO 0.00 0.00 -0.00 -0.54 -3.33 0.00 0.00 175.10 171.23 1nx7 s LYS 5 N -1.59 2.02 -0.39 1.54 1.02 -1.24 -5.01 119.74 116.10 1nx7 s LYS 5 Ca -0.02 -1.54 -0.29 0.00 0.02 0.00 0.00 55.97 54.14 1nx7 s LYS 5 Cb -0.00 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1nx7 s LYS 5 CO 0.01 -0.75 1.54 0.71 -0.92 0.00 0.00 175.35 175.94 1nx7 s TYR 6 N 1.08 2.20 -0.06 3.18 2.02 -1.26 -1.28 117.35 123.23 1nx7 s TYR 6 Ca -0.00 0.65 0.03 0.00 -0.37 0.00 0.00 57.07 57.38 1nx7 s TYR 6 Cb -0.20 -4.26 -0.03 0.00 -0.40 0.00 0.00 41.96 37.08 1nx7 s TYR 6 CO -0.05 -2.31 -0.14 0.71 -1.57 0.00 0.00 175.55 172.19 1nx7 s TYR 7 N 5.92 2.72 0.41 2.71 2.02 0.19 -4.61 117.35 126.71 1nx7 s TYR 7 Ca 0.67 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 57.17 1nx7 s TYR 7 Cb -0.17 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1nx7 s TYR 7 CO 0.33 0.17 0.67 -0.08 -1.57 0.00 0.00 175.55 175.08 1nx7 s THR 8 N -0.67 5.00 0.22 -0.71 -1.32 -1.26 -0.45 115.64 116.44 1nx7 s THR 8 Ca 0.10 -0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.48 1nx7 s THR 8 Cb -0.11 -3.85 0.32 0.00 -1.51 0.00 0.00 72.50 67.35 1nx7 s THR 8 CO 0.01 -0.69 1.14 0.18 -2.21 0.00 0.00 174.62 173.05 1nx7 n LEU 9 N -1.95 -0.16 -0.31 9.08 4.77 -1.26 0.16 117.00 127.32 1nx7 n LEU 9 Ca -0.02 1.25 -0.08 0.00 -0.03 0.00 0.00 56.01 57.13 1nx7 n LEU 9 Cb 0.55 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1nx7 n LEU 9 CO 0.51 -1.23 0.40 1.21 -1.33 0.00 0.00 177.39 176.94 1nx7 n GLU 10 N -5.09 -0.33 -0.25 3.23 4.07 -1.26 -0.32 120.64 120.69 1nx7 n GLU 10 Ca 0.15 1.21 0.00 0.00 -0.06 0.00 0.00 57.16 58.46 1nx7 n GLU 10 Cb 0.48 -1.78 0.12 0.00 -0.06 0.00 0.00 31.44 30.20 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 0.67 -0.46 5.31 3.07 -0.65 -1.91 114.58 120.61 1nx7 h GLU 11 Ca 0.12 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.81 1nx7 h GLU 11 Cb 0.30 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1nx7 h GLU 11 CO -0.70 0.44 -0.23 0.82 -1.40 0.00 0.00 179.01 177.94 1nx7 h ILE 12 N 0.69 1.27 -0.77 3.13 5.03 -1.17 -3.29 117.51 122.39 1nx7 h ILE 12 Ca 0.33 -1.39 -0.00 0.00 -0.12 0.00 0.00 64.86 63.68 1nx7 h ILE 12 Cb 0.27 1.16 -0.04 0.00 -3.03 0.00 0.00 36.82 35.18 1nx7 h ILE 12 CO -0.22 0.48 0.47 -0.61 -0.68 0.00 0.00 178.15 177.59 1nx7 h GLN 13 N 0.82 1.04 -0.49 2.37 4.15 0.15 0.38 115.11 123.54 1nx7 h GLN 13 Ca 0.10 -0.09 0.08 0.00 0.77 0.00 0.00 58.65 59.52 1nx7 h GLN 13 Cb 0.80 -0.22 -0.07 0.00 0.21 0.00 0.00 27.48 28.20 1nx7 h GLN 13 CO 0.07 0.73 0.11 0.87 -1.93 0.00 0.00 178.83 178.67 1nx7 h LYS 14 N 1.06 0.24 -2.95 1.69 1.57 -1.62 -3.33 116.57 113.23 1nx7 h LYS 14 Ca 0.28 -0.01 -0.72 0.00 -1.87 0.00 0.00 60.65 58.32 1nx7 h LYS 14 Cb -0.05 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.13 1nx7 h LYS 14 CO -0.05 0.16 2.85 0.72 -0.57 0.00 0.00 179.45 182.56 1nx7 n HIS 15 N -5.09 2.65 -2.70 -1.35 8.25 0.13 -3.97 115.22 113.15 1nx7 n HIS 15 Ca 0.05 -2.91 -0.02 0.00 -0.26 0.00 0.00 57.72 54.58 1nx7 n HIS 15 Cb 0.23 -2.10 0.11 0.00 1.12 0.00 0.00 29.99 29.36 1nx7 n HIS 15 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1nx7 n ASN 16 N 2.88 -0.97 0.00 0.41 5.15 -1.25 -0.20 115.26 121.28 1nx7 n ASN 16 Ca 0.64 -2.23 0.00 0.00 -0.60 0.00 0.00 54.58 52.39 1nx7 n ASN 16 Cb 0.27 0.51 0.00 0.00 -0.53 0.00 0.00 39.78 40.03 1nx7 n ASN 16 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1nx7 n ASN 17 N -1.26 0.00 0.00 1.20 2.85 -1.19 -4.90 115.26 111.96 1nx7 n ASN 17 Ca -0.12 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1nx7 n ASN 17 Cb 0.86 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.81 1nx7 n ASN 17 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1nx7 n SER 18 N -0.71 0.00 0.10 1.20 7.64 -1.26 -4.92 113.62 115.68 1nx7 n SER 18 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 1nx7 n SER 18 Cb 0.00 -0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1nx7 n SER 18 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1nx7 h LYS 19 N 0.00 0.43 -6.28 1.43 1.63 -1.98 -3.46 116.57 108.35 1nx7 h LYS 19 Ca 0.00 -0.74 -0.65 0.00 -0.85 0.00 0.00 60.65 58.41 1nx7 h LYS 19 Cb 0.00 0.28 0.10 0.00 -0.60 0.00 0.00 32.23 32.00 1nx7 h LYS 19 CO 0.00 1.34 -0.01 0.43 -3.45 0.00 0.00 179.45 177.77 1nx7 n SER 20 N -3.62 0.56 -3.18 4.20 7.64 -1.26 -4.79 113.62 113.17 1nx7 n SER 20 Ca -0.20 1.15 0.04 0.00 1.01 0.00 0.00 58.87 60.87 1nx7 n SER 20 Cb 1.08 -1.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.72 -0.87 0.18 0.44 2.01 -1.19 -3.18 115.64 112.31 1nx7 s THR 21 Ca 0.66 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.76 1nx7 s THR 21 Cb -0.84 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1nx7 s THR 21 CO 0.56 0.00 -0.16 0.26 -0.69 0.00 0.00 174.62 174.60 1nx7 s TRP 22 N 2.87 2.50 0.29 4.92 0.52 0.72 -1.38 118.94 129.38 1nx7 s TRP 22 Ca 0.15 -0.27 -0.12 0.00 0.02 0.00 0.00 56.10 55.88 1nx7 s TRP 22 Cb -0.14 -1.24 0.01 0.00 -1.15 0.00 0.00 33.47 30.95 1nx7 s TRP 22 CO -0.19 0.50 0.54 -0.48 0.02 0.00 0.00 176.95 177.34 1nx7 s LEU 23 N -2.71 0.38 -0.14 2.99 0.05 -0.57 -0.18 118.68 118.51 1nx7 s LEU 23 Ca 0.23 -1.06 0.02 0.00 0.05 0.00 0.00 54.13 53.37 1nx7 s LEU 23 Cb -0.09 1.93 0.01 0.00 -2.05 0.00 0.00 46.19 45.99 1nx7 s LEU 23 CO 0.13 -1.27 -0.21 -0.63 -0.55 0.00 0.00 176.35 173.81 1nx7 s ILE 24 N -3.56 2.04 -0.46 1.48 1.01 -0.19 -0.35 121.20 121.17 1nx7 s ILE 24 Ca 0.22 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1nx7 s ILE 24 Cb -0.02 -1.81 0.12 0.00 0.01 0.00 0.00 42.46 40.77 1nx7 s ILE 24 CO 0.12 0.54 0.21 -0.76 0.00 0.00 0.00 174.94 175.06 1nx7 s LEU 25 N 0.89 3.96 -0.63 2.97 1.02 0.61 0.18 118.68 127.68 1nx7 s LEU 25 Ca -0.05 -2.74 -0.09 0.00 0.02 0.00 0.00 54.13 51.27 1nx7 s LEU 25 Cb -0.15 -1.48 0.01 0.00 0.02 0.00 0.00 46.19 44.59 1nx7 s LEU 25 CO -0.04 -0.27 0.65 1.41 0.02 0.00 0.00 176.35 178.12 1nx7 n HIS 26 N 3.46 -2.95 0.00 0.29 8.25 -1.26 -3.38 115.22 119.63 1nx7 n HIS 26 Ca 0.05 1.17 0.00 0.00 -0.26 0.00 0.00 57.72 58.68 1nx7 n HIS 26 Cb 0.35 -3.62 0.00 0.00 1.12 0.00 0.00 29.99 27.84 1nx7 n HIS 26 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1nx7 n TYR 27 N -1.30 0.00 -3.15 4.41 9.36 -1.26 -4.92 117.16 120.29 1nx7 n TYR 27 Ca -0.03 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.86 1nx7 n TYR 27 Cb 0.54 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.19 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 4.01 -0.20 2.98 1.02 -1.22 0.26 119.74 126.58 1nx7 s LYS 28 Ca 0.00 0.66 -0.05 0.00 0.02 0.00 0.00 55.97 56.60 1nx7 s LYS 28 Cb 0.00 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1nx7 s LYS 28 CO 0.00 0.18 0.01 0.08 -0.92 0.00 0.00 175.35 174.70 1nx7 s VAL 29 N -1.94 4.01 -0.19 3.17 1.01 0.88 -0.28 120.40 127.06 1nx7 s VAL 29 Ca 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1nx7 s VAL 29 Cb -0.11 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1nx7 s VAL 29 CO 0.18 0.42 -0.05 -0.31 0.00 0.00 0.00 175.10 175.34 1nx7 s TYR 30 N 1.04 2.95 -0.55 5.22 1.51 0.52 -1.36 117.35 126.68 1nx7 s TYR 30 Ca 0.02 -0.69 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1nx7 s TYR 30 Cb -0.14 -2.02 0.05 0.00 -0.11 0.00 0.00 41.96 39.73 1nx7 s TYR 30 CO 0.02 -0.34 2.77 -0.40 -1.11 0.00 0.00 175.55 176.49 1nx7 n ASP 31 N 4.23 6.63 -0.01 2.29 5.75 -0.12 -1.51 116.55 133.82 1nx7 n ASP 31 Ca -0.18 -3.15 0.00 0.00 -0.01 0.00 0.00 54.79 51.45 1nx7 n ASP 31 Cb 0.52 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.34 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 1.09 0.01 -0.34 -2.12 4.77 -0.79 -4.19 117.00 115.43 1nx7 n LEU 32 Ca 0.51 -0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.65 1nx7 n LEU 32 Cb 0.53 -0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.99 1nx7 n LEU 32 CO 0.37 0.00 1.14 0.74 -1.33 0.00 0.00 177.39 178.31 1nx7 h THR 33 N 0.00 0.51 0.00 -5.08 2.02 -1.53 0.28 112.91 109.11 1nx7 h THR 33 Ca 0.00 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 1nx7 h THR 33 Cb 0.00 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 1nx7 h THR 33 CO 0.00 0.10 -1.57 2.29 0.37 0.00 0.00 175.52 176.71 1nx7 n LYS 34 N -4.92 0.63 0.21 6.66 -0.00 -1.26 -4.33 118.16 115.16 1nx7 n LYS 34 Ca 0.26 0.08 0.07 0.00 -0.00 0.00 0.00 58.31 58.72 1nx7 n LYS 34 Cb 0.74 -1.72 0.48 0.00 -0.00 0.00 0.00 35.03 34.54 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 0.00 -0.47 5.58 3.57 -0.78 -2.98 116.94 121.85 1nx7 h PHE 35 Ca -0.14 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.42 1nx7 h PHE 35 Cb 1.41 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.08 1nx7 h PHE 35 CO 0.00 0.27 -0.22 1.28 -2.23 0.00 0.00 178.31 177.42 1nx7 n LEU 36 N -3.86 -0.37 0.12 0.59 4.77 -0.31 -0.36 117.00 117.58 1nx7 n LEU 36 Ca -0.02 0.83 -0.02 0.00 -0.03 0.00 0.00 56.01 56.77 1nx7 n LEU 36 Cb 0.36 -0.16 0.16 0.00 -2.33 0.00 0.00 43.42 41.45 1nx7 n LEU 36 CO 0.35 -0.72 0.49 -0.33 -1.33 0.00 0.00 177.39 175.85 1nx7 h GLU 37 N 0.00 0.05 0.16 3.23 5.08 -1.83 -3.13 114.58 118.14 1nx7 h GLU 37 Ca 0.13 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 58.13 1nx7 h GLU 37 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1nx7 h GLU 37 CO -0.46 0.65 -1.63 0.93 -1.00 0.00 0.00 179.01 177.50 1nx7 h GLU 38 N 0.04 0.33 -6.54 2.33 5.08 -0.83 -3.48 114.58 111.51 1nx7 h GLU 38 Ca -0.01 -0.56 -0.53 0.00 -1.00 0.00 0.00 59.36 57.26 1nx7 h GLU 38 Cb 1.10 0.21 0.05 0.00 0.50 0.00 0.00 28.75 30.61 1nx7 h GLU 38 CO 0.08 1.22 1.08 1.58 -1.00 0.00 0.00 179.01 181.97 1nx7 n HIS 39 N -3.52 2.64 -0.03 4.33 -0.00 0.35 -4.90 115.22 114.09 1nx7 n HIS 39 Ca -0.20 -0.09 0.17 0.00 0.46 0.00 0.00 57.72 58.06 1nx7 n HIS 39 Cb 1.06 -2.71 0.62 0.00 -0.12 0.00 0.00 29.99 28.84 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 8.07 0.14 -0.63 1.57 0.13 -1.92 0.10 132.00 139.46 1nx7 h PRO 40 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1nx7 h PRO 40 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nx7 h PRO 40 CO 0.95 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1nx7 n GLY 41 N -1.59 1.31 4.75 1.56 0.00 -1.26 -5.04 105.19 104.91 1nx7 n GLY 41 Ca 0.10 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 0.47 -1.71 0.13 -0.02 0.00 0.36 -4.59 105.19 99.83 1nx7 n GLY 42 Ca 0.09 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.62 0.67 -0.17 1.61 0.28 -1.18 -4.49 120.64 115.73 1nx7 n GLU 43 Ca 0.00 0.25 -0.06 0.00 -0.16 0.00 0.00 57.16 57.20 1nx7 n GLU 43 Cb 0.12 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.39 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 -0.24 -0.18 -0.70 3.44 4.57 -1.90 0.12 114.58 119.69 1nx7 h GLU 44 Ca -0.52 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 57.82 1nx7 h GLU 44 Cb 1.83 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 30.36 1nx7 h GLU 44 CO -0.10 -0.12 0.14 -0.39 -1.18 0.00 0.00 179.01 177.36 1nx7 h VAL 45 N -0.19 0.53 -0.15 0.32 -1.51 -1.81 0.24 116.25 113.68 1nx7 h VAL 45 Ca 0.21 -0.08 -0.07 0.00 -1.23 0.00 0.00 66.70 65.53 1nx7 h VAL 45 Cb 0.54 0.26 -0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1nx7 h VAL 45 CO -0.62 0.04 -0.17 -0.07 -1.23 0.00 0.00 177.57 175.52 1nx7 h LEU 46 N 0.25 0.42 -0.80 4.19 3.38 -1.07 -1.57 115.31 120.11 1nx7 h LEU 46 Ca 0.39 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1nx7 h LEU 46 Cb 0.64 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1nx7 h LEU 46 CO -0.50 0.83 0.41 -0.09 0.09 0.00 0.00 178.44 179.18 1nx7 h ARG 47 N 0.02 1.13 -0.36 1.13 1.12 -0.41 0.59 114.38 117.60 1nx7 h ARG 47 Ca 0.02 -0.15 0.04 0.00 -1.11 0.00 0.00 59.98 58.78 1nx7 h ARG 47 Cb 0.72 -0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 30.43 1nx7 h ARG 47 CO 0.04 0.86 0.14 0.93 -3.11 0.00 0.00 179.97 178.83 1nx7 h GLU 48 N 1.12 0.29 0.00 0.20 5.08 -0.48 -2.46 114.58 118.33 1nx7 h GLU 48 Ca 0.28 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1nx7 h GLU 48 Cb 0.08 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nx7 h GLU 48 CO -0.04 0.19 -0.39 1.96 -1.00 0.00 0.00 179.01 179.73 1nx7 h GLN 49 N 0.30 0.00 -6.87 2.33 1.08 -0.71 -3.47 115.11 107.76 1nx7 h GLN 49 Ca 0.16 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.81 1nx7 h GLN 49 Cb 0.12 0.00 0.19 0.00 -0.05 0.00 0.00 27.48 27.73 1nx7 h GLN 49 CO -0.15 0.39 -0.12 0.00 -0.95 0.00 0.00 178.83 178.00 1nx7 n ALA 50 N -2.42 -0.93 -2.07 3.87 0.00 0.20 -2.36 120.51 116.80 1nx7 n ALA 50 Ca -0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 1nx7 n ALA 50 Cb 0.44 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 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 1.25 0.33 3.81 0.00 0.00 0.75 -4.87 105.19 106.46 1nx7 n GLY 51 Ca 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.39 -0.05 -0.22 -0.02 0.00 -0.99 -4.02 107.32 99.62 1nx7 s GLY 52 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.25 1nx7 s GLY 52 CO 0.00 0.35 1.89 0.51 0.00 0.00 0.00 173.10 175.84 1nx7 s ASP 53 N -3.04 5.98 -0.16 1.64 -4.77 -1.26 -1.02 116.67 114.05 1nx7 s ASP 53 Ca 0.14 1.74 0.16 0.00 -3.30 0.00 0.00 52.55 51.29 1nx7 s ASP 53 Cb -0.03 -2.52 0.66 0.00 -1.09 0.00 0.00 42.92 39.93 1nx7 s ASP 53 CO 0.05 -1.56 1.57 0.00 0.70 0.00 0.00 175.17 175.93 1nx7 n ALA 54 N 9.79 3.22 -0.30 2.11 0.00 0.13 -4.55 120.51 130.91 1nx7 n ALA 54 Ca 0.23 -1.87 0.07 0.00 0.00 0.00 0.00 53.44 51.87 1nx7 n ALA 54 Cb 0.45 -0.90 0.18 0.00 0.00 0.00 0.00 19.45 19.18 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 3.17 0.18 -0.12 0.00 2.02 -0.80 0.16 112.91 117.52 1nx7 h THR 55 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1nx7 h THR 55 Cb 1.55 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1nx7 h THR 55 CO 0.29 0.01 -0.12 -0.08 0.37 0.00 0.00 175.52 175.99 1nx7 h GLU 56 N 0.04 -0.05 -0.53 6.66 4.57 -1.87 -0.92 114.58 122.48 1nx7 h GLU 56 Ca 0.47 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.64 1nx7 h GLU 56 Cb 0.83 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 1nx7 h GLU 56 CO -0.82 -0.04 0.30 -0.91 -1.18 0.00 0.00 179.01 176.36 1nx7 h ASN 57 N -0.06 0.64 -0.39 1.04 -0.26 -1.46 0.38 115.58 115.48 1nx7 h ASN 57 Ca 0.02 -0.04 0.08 0.00 -0.56 0.00 0.00 56.30 55.80 1nx7 h ASN 57 Cb 0.11 -0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 37.14 1nx7 h ASN 57 CO -0.15 0.52 -0.07 0.15 -1.06 0.00 0.00 177.43 176.82 1nx7 h PHE 58 N 0.74 -0.16 0.01 1.19 3.57 -0.35 -3.33 116.94 118.61 1nx7 h PHE 58 Ca 0.19 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.43 1nx7 h PHE 58 Cb 0.01 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1nx7 h PHE 58 CO 0.00 -0.14 -1.70 0.93 -2.23 0.00 0.00 178.31 175.17 1nx7 h GLU 59 N 0.03 0.01 -0.36 1.11 4.39 0.01 -1.23 114.58 118.54 1nx7 h GLU 59 Ca 0.19 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.90 1nx7 h GLU 59 Cb 0.28 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1nx7 h GLU 59 CO -0.38 0.54 -0.21 -3.47 -1.16 0.00 0.00 179.01 174.33 1nx7 n ASP 60 N -3.07 -0.38 -0.60 1.42 2.03 0.12 -0.31 116.55 115.76 1nx7 n ASP 60 Ca -0.17 1.12 0.06 0.00 0.52 0.00 0.00 54.79 56.32 1nx7 n ASP 60 Cb 1.05 -0.32 0.16 0.00 -0.72 0.00 0.00 41.12 41.29 1nx7 n ASP 60 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1nx7 n VAL 61 N -3.79 0.42 -3.74 5.18 0.24 -1.25 -4.95 118.33 110.44 1nx7 n VAL 61 Ca 0.01 -0.43 -0.30 0.00 -2.04 0.00 0.00 64.34 61.58 1nx7 n VAL 61 Cb 0.09 0.22 0.03 0.00 -1.47 0.00 0.00 33.84 32.72 1nx7 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nx7 n GLY 62 N 1.03 -0.81 3.69 7.63 0.00 0.57 -4.75 105.19 112.55 1nx7 n GLY 62 Ca 0.11 0.38 -0.62 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.25 1.68 -1.03 1.61 8.25 -0.46 -4.82 115.22 116.19 1nx7 n HIS 63 Ca -0.14 0.90 -0.35 0.00 -0.26 0.00 0.00 57.72 57.87 1nx7 n HIS 63 Cb 0.61 -2.29 0.09 0.00 1.12 0.00 0.00 29.99 29.52 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 3.98 -2.03 -0.18 0.41 7.64 -1.26 -4.33 113.62 117.85 1nx7 n SER 64 Ca 0.27 0.44 -0.12 0.00 1.01 0.00 0.00 58.87 60.48 1nx7 n SER 64 Cb 0.04 -1.17 -0.09 0.00 -1.01 0.00 0.00 64.21 61.98 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 -0.95 0.00 -0.95 0.44 2.02 -1.99 0.28 112.91 111.76 1nx7 h THR 65 Ca -0.44 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.02 1nx7 h THR 65 Cb 1.32 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.56 1nx7 h THR 65 CO 0.37 0.00 0.19 0.44 0.37 0.00 0.00 175.52 176.90 1nx7 h ASP 66 N -0.27 -0.16 0.35 4.18 5.19 -1.98 0.80 116.42 124.53 1nx7 h ASP 66 Ca 0.08 0.25 -0.21 0.00 -0.62 0.00 0.00 57.03 56.53 1nx7 h ASP 66 Cb 0.49 0.37 -0.00 0.00 0.18 0.00 0.00 39.33 40.36 1nx7 h ASP 66 CO -0.59 -0.29 -0.85 0.00 -3.12 0.00 0.00 179.24 174.38 1nx7 h ALA 67 N 1.91 0.48 -0.08 3.45 0.00 -0.93 0.28 119.26 124.36 1nx7 h ALA 67 Ca 0.62 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nx7 h ALA 67 Cb 1.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1nx7 h ALA 67 CO -0.80 0.81 -0.02 -0.09 0.00 0.00 0.00 179.25 179.16 1nx7 h ARG 68 N 0.22 0.00 0.00 0.00 2.43 0.75 0.10 114.38 117.89 1nx7 h ARG 68 Ca -0.06 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 1nx7 h ARG 68 Cb 1.46 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 1nx7 h ARG 68 CO 0.14 0.00 -0.87 0.93 -1.51 0.00 0.00 179.97 178.67 1nx7 h GLU 69 N 0.00 0.19 0.16 0.20 4.39 -0.65 -2.62 114.58 116.26 1nx7 h GLU 69 Ca 0.04 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1nx7 h GLU 69 Cb 0.05 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1nx7 h GLU 69 CO -0.08 0.94 -0.08 1.25 -1.16 0.00 0.00 179.01 179.89 1nx7 h LEU 70 N 0.11 -0.18 -1.70 1.33 5.85 -0.43 -3.13 115.31 117.15 1nx7 h LEU 70 Ca -0.04 0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.96 1nx7 h LEU 70 Cb 1.49 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.50 1nx7 h LEU 70 CO 0.13 -0.13 0.71 0.77 -0.34 0.00 0.00 178.44 179.59 1nx7 h SER 71 N -0.22 0.21 -1.01 1.25 4.64 -0.40 -0.78 113.55 117.24 1nx7 h SER 71 Ca -0.02 0.04 0.23 0.00 -0.47 0.00 0.00 61.79 61.57 1nx7 h SER 71 Cb 0.17 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.16 1nx7 h SER 71 CO 0.04 0.05 0.62 0.11 -0.87 0.00 0.00 176.83 176.78 1nx7 h LYS 72 N 0.19 0.55 0.00 4.77 1.79 -1.48 -0.00 116.57 122.39 1nx7 h LYS 72 Ca 0.54 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1nx7 h LYS 72 Cb 1.74 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.27 1nx7 h LYS 72 CO -0.14 0.36 0.00 1.79 -1.08 0.00 0.00 179.45 180.39 1nx7 h THR 73 N 0.57 0.00 -0.29 -0.16 1.35 -1.33 -2.23 112.91 110.83 1nx7 h THR 73 Ca 0.59 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 1nx7 h THR 73 Cb 1.20 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1nx7 h THR 73 CO -0.36 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.40 1nx7 n PHE 74 N -2.43 0.37 -2.40 4.73 3.72 -0.02 -4.97 117.46 116.47 1nx7 n PHE 74 Ca -0.01 -0.28 -0.43 0.00 -0.05 0.00 0.00 57.45 56.68 1nx7 n PHE 74 Cb 0.08 -0.01 -0.02 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 -1.15 4.20 -0.06 4.37 1.01 -0.84 -0.94 121.20 127.79 1nx7 s ILE 75 Ca 0.27 1.49 0.10 0.00 0.00 0.00 0.00 60.65 62.50 1nx7 s ILE 75 Cb 0.16 -3.96 -0.14 0.00 0.01 0.00 0.00 42.46 38.53 1nx7 s ILE 75 CO 0.21 -0.08 0.12 2.30 0.00 0.00 0.00 174.94 177.49 1nx7 n ILE 76 N 5.11 0.37 -3.22 2.92 -5.35 -0.46 -4.96 119.36 113.77 1nx7 n ILE 76 Ca 0.13 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1nx7 n ILE 76 Cb 0.45 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 2.17 1.54 3.54 3.28 0.00 -1.21 -3.65 105.19 110.87 1nx7 n GLY 77 Ca -0.10 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.66 1.41 -0.06 1.61 2.02 -0.40 -0.08 118.70 121.54 1nx7 s GLU 78 Ca 0.00 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.07 1nx7 s GLU 78 Cb 0.00 0.59 -0.09 0.00 0.10 0.00 0.00 34.13 34.74 1nx7 s GLU 78 CO 0.00 -0.63 2.03 -0.11 0.02 0.00 0.00 175.26 176.57 1nx7 n LEU 79 N -0.40 3.75 -4.58 1.80 7.94 0.14 0.57 117.00 126.23 1nx7 n LEU 79 Ca -0.13 0.74 -0.60 0.00 -1.11 0.00 0.00 56.01 54.90 1nx7 n LEU 79 Cb 0.63 -1.49 -0.08 0.00 0.53 0.00 0.00 43.42 43.01 1nx7 n LEU 79 CO 0.13 -0.08 0.78 1.57 -1.11 0.00 0.00 177.39 178.68 1nx7 n HIS 80 N 8.42 1.06 0.45 1.96 -0.00 0.40 -4.76 115.22 122.75 1nx7 n HIS 80 Ca 0.24 1.02 0.00 0.00 -0.00 0.00 0.00 57.72 58.97 1nx7 n HIS 80 Cb 0.39 -2.16 0.00 0.00 -0.00 0.00 0.00 29.99 28.21 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 2.38 0.39 -0.00 1.57 -0.04 -1.26 -0.56 135.00 137.49 1nx7 n PRO 81 Ca 0.23 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1nx7 n PRO 81 Cb 0.06 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.20 4.93 0.11 3.54 2.03 -1.26 -4.87 116.55 121.22 1nx7 n ASP 82 Ca 0.00 -0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1nx7 n ASP 82 Cb 0.09 0.50 -0.08 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.28 0.00 1.67 3.58 -1.17 -3.54 116.42 116.69 1nx7 h ASP 83 Ca -0.01 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1nx7 h ASP 83 Cb 1.02 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1nx7 h ASP 83 CO 0.00 0.17 0.00 0.54 -2.88 0.00 0.00 179.24 177.07