#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 -0.68 0.00 0.11 -1.26 -5.03 120.40 113.55 1nx7 s VAL 4 Ca 0.00 -0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 58.93 1nx7 s VAL 4 Cb 0.00 -0.96 0.18 0.00 -1.53 0.00 0.00 36.38 34.06 1nx7 s VAL 4 CO 0.00 -0.02 0.57 -0.54 -3.33 0.00 0.00 175.10 171.78 1nx7 s LYS 5 N -0.75 3.02 -0.21 1.54 1.02 -1.25 -5.00 119.74 118.11 1nx7 s LYS 5 Ca -0.08 -2.32 -0.28 0.00 0.02 0.00 0.00 55.97 53.31 1nx7 s LYS 5 Cb -0.02 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 1nx7 s LYS 5 CO 0.07 -1.24 2.04 0.71 -0.92 0.00 0.00 175.35 176.01 1nx7 s TYR 6 N 0.39 1.41 -0.04 3.18 2.02 -1.26 -2.17 117.35 120.87 1nx7 s TYR 6 Ca 0.14 0.43 0.06 0.00 -0.37 0.00 0.00 57.07 57.34 1nx7 s TYR 6 Cb -0.18 -4.02 -0.02 0.00 -0.40 0.00 0.00 41.96 37.35 1nx7 s TYR 6 CO -0.05 -3.91 -0.22 0.71 -1.57 0.00 0.00 175.55 170.51 1nx7 s TYR 7 N 7.23 2.49 0.50 2.71 2.02 0.17 -4.64 117.35 127.82 1nx7 s TYR 7 Ca 0.92 -0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 57.15 1nx7 s TYR 7 Cb -0.31 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1nx7 s TYR 7 CO 0.35 -0.02 0.78 -0.08 -1.57 0.00 0.00 175.55 175.01 1nx7 s THR 8 N -0.50 4.35 0.36 -0.71 -1.32 -1.26 -0.59 115.64 115.97 1nx7 s THR 8 Ca 0.06 -0.05 0.17 0.00 -1.21 0.00 0.00 61.69 60.66 1nx7 s THR 8 Cb -0.11 -3.66 0.35 0.00 -1.51 0.00 0.00 72.50 67.57 1nx7 s THR 8 CO 0.01 -0.60 1.60 -0.07 -2.21 0.00 0.00 174.62 173.34 1nx7 h LEU 9 N 0.17 0.28 0.56 9.08 3.38 -1.97 -1.37 115.31 125.44 1nx7 h LEU 9 Ca -0.47 0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1nx7 h LEU 9 Cb 1.23 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1nx7 h LEU 9 CO 0.60 -0.36 -0.41 -0.08 0.09 0.00 0.00 178.44 178.28 1nx7 h GLU 10 N 0.07 -0.90 -0.92 1.13 4.57 -1.98 0.26 114.58 116.81 1nx7 h GLU 10 Ca 0.80 0.06 0.23 0.00 -1.18 0.00 0.00 59.36 59.27 1nx7 h GLU 10 Cb 2.01 0.20 -0.17 0.00 -0.16 0.00 0.00 28.75 30.63 1nx7 h GLU 10 CO -0.75 -0.60 -0.07 0.39 -1.18 0.00 0.00 179.01 176.80 1nx7 n GLU 11 N -4.98 -0.08 -0.14 1.92 -0.58 -0.57 0.17 120.64 116.38 1nx7 n GLU 11 Ca -0.11 1.40 -0.12 0.00 -0.42 0.00 0.00 57.16 57.91 1nx7 n GLU 11 Cb 0.40 -2.18 -0.01 0.00 -0.57 0.00 0.00 31.44 29.08 1nx7 n GLU 11 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1nx7 h ILE 12 N 0.00 1.27 -0.97 -3.67 5.03 -1.06 -3.25 117.51 114.86 1nx7 h ILE 12 Ca 0.52 -1.46 0.03 0.00 -0.12 0.00 0.00 64.86 63.83 1nx7 h ILE 12 Cb 0.99 1.25 -0.06 0.00 -3.03 0.00 0.00 36.82 35.98 1nx7 h ILE 12 CO -0.90 0.50 0.63 -0.61 -0.68 0.00 0.00 178.15 177.09 1nx7 h GLN 13 N 0.80 1.20 0.00 2.37 4.15 0.33 0.26 115.11 124.22 1nx7 h GLN 13 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1nx7 h GLN 13 Cb 0.88 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1nx7 h GLN 13 CO 0.08 0.79 0.00 1.63 -1.93 0.00 0.00 178.83 179.40 1nx7 n LYS 14 N -4.46 0.32 -3.57 1.69 5.02 -0.33 -4.21 118.16 112.61 1nx7 n LYS 14 Ca 0.13 0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 56.22 1nx7 n LYS 14 Cb 0.08 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.49 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 -1.12 1.43 -2.11 2.13 8.25 0.90 -4.81 115.22 119.89 1nx7 n HIS 15 Ca 0.08 -3.85 -0.02 0.00 -0.26 0.00 0.00 57.72 53.67 1nx7 n HIS 15 Cb 0.07 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 30.88 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 2.03 -0.17 -4.41 0.41 6.94 -0.37 -0.85 115.26 118.85 1nx7 n ASN 16 Ca 0.25 -1.74 -0.27 0.00 -0.02 0.00 0.00 54.58 52.80 1nx7 n ASN 16 Cb 0.43 0.02 0.15 0.00 -2.36 0.00 0.00 39.78 38.01 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 -0.96 3.72 -1.49 0.53 0.02 0.36 -4.88 114.94 112.24 1nx7 s ASN 17 Ca 0.07 0.03 -0.10 0.00 -1.02 0.00 0.00 52.86 51.85 1nx7 s ASN 17 Cb 0.08 -0.25 -0.07 0.00 0.02 0.00 0.00 41.25 41.03 1nx7 s ASN 17 CO -0.04 -2.31 2.75 -1.20 0.02 0.00 0.00 177.10 176.32 1nx7 n SER 18 N -3.34 7.59 0.00 -1.22 7.64 -1.26 -3.77 113.62 119.26 1nx7 n SER 18 Ca 0.15 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1nx7 n SER 18 Cb 0.60 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1nx7 n SER 18 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1nx7 n LYS 19 N 4.00 0.00 -1.66 1.43 2.85 -1.26 -5.11 118.16 118.41 1nx7 n LYS 19 Ca 0.71 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.60 1nx7 n LYS 19 Cb 0.24 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.59 1nx7 n LYS 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1nx7 s SER 20 N -0.65 4.65 -0.42 -5.58 0.15 -1.25 -4.50 113.70 106.10 1nx7 s SER 20 Ca 0.00 0.96 0.03 0.00 0.70 0.00 0.00 55.95 57.64 1nx7 s SER 20 Cb 0.00 -2.51 0.12 0.00 -1.71 0.00 0.00 66.02 61.92 1nx7 s SER 20 CO 0.00 -2.74 0.17 -0.89 1.20 0.00 0.00 173.24 170.98 1nx7 s THR 21 N 11.40 1.99 0.08 6.45 2.01 -1.26 -0.49 115.64 135.83 1nx7 s THR 21 Ca 0.91 -2.59 0.01 0.00 0.31 0.00 0.00 61.69 60.33 1nx7 s THR 21 Cb -0.17 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1nx7 s THR 21 CO 0.25 -0.74 0.19 0.26 -0.69 0.00 0.00 174.62 173.89 1nx7 s TRP 22 N 0.48 3.43 0.24 4.92 0.52 -0.03 -0.19 118.94 128.32 1nx7 s TRP 22 Ca 0.14 0.19 -0.19 0.00 0.02 0.00 0.00 56.10 56.26 1nx7 s TRP 22 Cb -0.22 -1.71 0.02 0.00 -1.15 0.00 0.00 33.47 30.41 1nx7 s TRP 22 CO -0.06 0.56 0.62 -0.48 0.02 0.00 0.00 176.95 177.62 1nx7 s LEU 23 N -2.59 -0.12 -0.16 2.99 0.05 -0.88 -0.11 118.68 117.86 1nx7 s LEU 23 Ca 0.34 -0.58 0.01 0.00 0.05 0.00 0.00 54.13 53.95 1nx7 s LEU 23 Cb -0.12 2.42 0.01 0.00 -2.05 0.00 0.00 46.19 46.45 1nx7 s LEU 23 CO 0.27 -1.21 -0.20 -0.63 -0.55 0.00 0.00 176.35 174.03 1nx7 s ILE 24 N -3.91 2.18 -0.58 1.48 1.01 -0.64 -0.59 121.20 120.15 1nx7 s ILE 24 Ca 0.12 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1nx7 s ILE 24 Cb -0.03 -1.90 0.14 0.00 0.01 0.00 0.00 42.46 40.68 1nx7 s ILE 24 CO 0.03 0.54 0.34 -0.76 0.00 0.00 0.00 174.94 175.09 1nx7 s LEU 25 N 1.02 4.50 -0.65 2.97 1.02 0.24 0.09 118.68 127.87 1nx7 s LEU 25 Ca -0.02 -3.30 -0.04 0.00 0.02 0.00 0.00 54.13 50.79 1nx7 s LEU 25 Cb -0.14 -1.64 0.01 0.00 0.02 0.00 0.00 46.19 44.43 1nx7 s LEU 25 CO -0.06 -0.18 0.67 1.41 0.02 0.00 0.00 176.35 178.21 1nx7 n HIS 26 N 2.73 -3.12 0.00 0.29 8.25 -1.26 -3.44 115.22 118.67 1nx7 n HIS 26 Ca 0.10 1.21 0.00 0.00 -0.26 0.00 0.00 57.72 58.77 1nx7 n HIS 26 Cb 0.33 -4.11 0.00 0.00 1.12 0.00 0.00 29.99 27.33 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 -1.37 0.00 -3.08 4.41 4.19 -1.26 -4.94 117.16 115.11 1nx7 n TYR 27 Ca 0.03 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.85 1nx7 n TYR 27 Cb 0.49 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.26 1nx7 n TYR 27 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1nx7 s LYS 28 N 0.00 4.44 -0.20 2.98 1.02 -1.22 -0.03 119.74 126.73 1nx7 s LYS 28 Ca 0.00 1.01 -0.06 0.00 0.02 0.00 0.00 55.97 56.94 1nx7 s LYS 28 Cb 0.00 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1nx7 s LYS 28 CO 0.00 0.59 0.04 0.08 -0.92 0.00 0.00 175.35 175.14 1nx7 s VAL 29 N -1.11 4.33 -0.22 3.17 1.01 0.73 -0.59 120.40 127.72 1nx7 s VAL 29 Ca 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1nx7 s VAL 29 Cb -0.22 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1nx7 s VAL 29 CO 0.24 0.42 -0.03 -0.31 0.00 0.00 0.00 175.10 175.42 1nx7 s TYR 30 N 0.92 2.97 -0.42 5.22 1.51 0.24 -1.33 117.35 126.46 1nx7 s TYR 30 Ca 0.03 -0.86 -0.29 0.00 -1.01 0.00 0.00 57.07 54.94 1nx7 s TYR 30 Cb -0.14 -2.12 0.03 0.00 -0.11 0.00 0.00 41.96 39.61 1nx7 s TYR 30 CO 0.02 -0.52 1.10 0.34 -1.11 0.00 0.00 175.55 175.38 1nx7 s ASP 31 N 1.49 6.72 -0.37 2.29 -1.08 -0.38 -2.07 116.67 123.27 1nx7 s ASP 31 Ca 0.06 0.63 0.07 0.00 -0.52 0.00 0.00 52.55 52.78 1nx7 s ASP 31 Cb -0.14 -2.54 0.63 0.00 -1.46 0.00 0.00 42.92 39.41 1nx7 s ASP 31 CO -0.02 -1.11 1.76 0.18 0.52 0.00 0.00 175.17 176.49 1nx7 n LEU 32 N 7.47 5.81 -0.05 -1.34 4.77 0.74 -4.79 117.00 129.62 1nx7 n LEU 32 Ca 0.11 -3.57 -0.11 0.00 -0.03 0.00 0.00 56.01 52.42 1nx7 n LEU 32 Cb 0.48 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1nx7 n LEU 32 CO 0.67 1.05 0.83 0.74 -1.33 0.00 0.00 177.39 179.35 1nx7 h THR 33 N 1.33 1.18 0.00 -5.08 2.02 -1.78 -0.85 112.91 109.72 1nx7 h THR 33 Ca 0.44 -0.54 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1nx7 h THR 33 Cb 2.40 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 70.01 1nx7 h THR 33 CO 0.82 0.17 -0.67 0.07 0.37 0.00 0.00 175.52 176.27 1nx7 h LYS 34 N 0.10 0.00 0.00 6.66 2.10 -1.87 -3.35 116.57 120.21 1nx7 h LYS 34 Ca 0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.67 1nx7 h LYS 34 Cb 0.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1nx7 h LYS 34 CO -0.00 0.67 -0.15 0.35 -2.00 0.00 0.00 179.45 178.32 1nx7 h PHE 35 N 0.00 0.00 -0.74 0.07 3.57 -1.53 -2.77 116.94 115.54 1nx7 h PHE 35 Ca -0.01 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1nx7 h PHE 35 Cb 1.33 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.95 1nx7 h PHE 35 CO 0.00 0.15 -0.30 1.28 -2.23 0.00 0.00 178.31 177.21 1nx7 n LEU 36 N -3.37 -0.50 -0.02 0.59 4.77 -0.45 -0.51 117.00 117.51 1nx7 n LEU 36 Ca -0.00 1.30 -0.16 0.00 -0.03 0.00 0.00 56.01 57.12 1nx7 n LEU 36 Cb 0.35 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 1nx7 n LEU 36 CO 0.31 -1.16 0.36 -0.33 -1.33 0.00 0.00 177.39 175.24 1nx7 h GLU 37 N 0.00 0.46 -0.65 3.23 5.08 -1.78 -2.75 114.58 118.18 1nx7 h GLU 37 Ca 0.25 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1nx7 h GLU 37 Cb 0.44 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1nx7 h GLU 37 CO -0.74 1.03 0.06 0.93 -1.00 0.00 0.00 179.01 179.29 1nx7 h GLU 38 N 0.01 1.10 -6.46 2.33 5.08 -1.36 -3.46 114.58 111.83 1nx7 h GLU 38 Ca -0.04 -0.32 -0.55 0.00 -1.00 0.00 0.00 59.36 57.45 1nx7 h GLU 38 Cb 1.14 -0.12 0.04 0.00 0.50 0.00 0.00 28.75 30.31 1nx7 h GLU 38 CO 0.10 1.03 1.07 1.58 -1.00 0.00 0.00 179.01 181.79 1nx7 n HIS 39 N -4.19 2.52 -0.01 4.33 -0.00 0.33 -4.91 115.22 113.29 1nx7 n HIS 39 Ca 0.04 -0.07 0.17 0.00 0.46 0.00 0.00 57.72 58.31 1nx7 n HIS 39 Cb 0.32 -2.70 0.63 0.00 -0.12 0.00 0.00 29.99 28.13 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 8.35 0.12 -0.48 1.57 0.13 -1.91 0.13 132.00 139.91 1nx7 h PRO 40 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nx7 h PRO 40 Cb 1.24 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nx7 h PRO 40 CO 0.94 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 1nx7 n GLY 41 N -1.60 0.65 4.31 1.56 0.00 -1.26 -5.04 105.19 103.81 1nx7 n GLY 41 Ca 0.09 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.67 0.11 -0.02 0.00 0.45 -4.57 105.19 99.99 1nx7 n GLY 42 Ca 0.06 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 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 0.13 -0.93 1.61 4.11 -1.77 -3.41 114.58 114.33 1nx7 h GLU 43 Ca 0.01 -0.23 0.10 0.00 0.07 0.00 0.00 59.36 59.32 1nx7 h GLU 43 Cb 0.36 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.57 1nx7 h GLU 43 CO 0.00 1.11 -0.49 -1.91 0.07 0.00 0.00 179.01 177.79 1nx7 n GLU 44 N -4.13 -0.35 -0.27 1.06 2.13 -1.26 -0.46 120.64 117.35 1nx7 n GLU 44 Ca -0.27 1.41 -0.00 0.00 0.66 0.00 0.00 57.16 58.96 1nx7 n GLU 44 Cb 0.79 -2.08 0.12 0.00 0.27 0.00 0.00 31.44 30.54 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 1.02 -0.07 6.31 -1.51 -1.80 0.12 116.25 120.32 1nx7 h VAL 45 Ca 0.20 -0.29 -0.11 0.00 -1.23 0.00 0.00 66.70 65.27 1nx7 h VAL 45 Cb 0.43 0.09 0.01 0.00 -2.13 0.00 0.00 31.29 29.69 1nx7 h VAL 45 CO -0.89 0.16 -0.38 -0.07 -1.23 0.00 0.00 177.57 175.16 1nx7 h LEU 46 N 0.85 0.45 -0.52 4.19 3.38 -0.98 -1.83 115.31 120.84 1nx7 h LEU 46 Ca 0.34 -0.66 0.07 0.00 0.09 0.00 0.00 57.88 57.72 1nx7 h LEU 46 Cb 0.17 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1nx7 h LEU 46 CO -0.17 1.04 0.18 -0.09 0.09 0.00 0.00 178.44 179.49 1nx7 h ARG 47 N -0.11 0.35 -0.53 1.13 1.12 -0.58 0.36 114.38 116.10 1nx7 h ARG 47 Ca -0.03 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 58.87 1nx7 h ARG 47 Cb 1.03 -0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.87 1nx7 h ARG 47 CO 0.08 0.23 0.26 0.93 -3.11 0.00 0.00 179.97 178.36 1nx7 h GLU 48 N 0.36 0.49 0.00 0.20 5.08 -0.67 -2.11 114.58 117.93 1nx7 h GLU 48 Ca 0.25 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1nx7 h GLU 48 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1nx7 h GLU 48 CO -0.26 0.33 -0.23 1.96 -1.00 0.00 0.00 179.01 179.80 1nx7 h GLN 49 N 0.51 0.00 -6.12 2.33 1.08 -0.55 -3.47 115.11 108.89 1nx7 h GLN 49 Ca 0.24 0.00 -0.77 0.00 -1.45 0.00 0.00 58.65 56.67 1nx7 h GLN 49 Cb 0.16 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1nx7 h GLN 49 CO -0.18 0.23 0.65 0.00 -0.95 0.00 0.00 178.83 178.59 1nx7 n ALA 50 N -2.28 -1.07 -1.88 3.87 0.00 0.12 -1.79 120.51 117.48 1nx7 n ALA 50 Ca -0.01 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1nx7 n ALA 50 Cb 0.38 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 3.47 0.76 3.66 0.00 0.00 0.84 -4.65 105.19 109.28 1nx7 n GLY 51 Ca 0.25 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.85 -0.34 -0.25 -0.02 0.00 -0.74 -4.35 107.32 98.77 1nx7 s GLY 52 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 1nx7 s GLY 52 CO 0.00 0.12 1.84 0.99 0.00 0.00 0.00 173.10 176.05 1nx7 s ASP 53 N -2.88 5.98 -0.17 1.64 1.11 -1.26 -1.62 116.67 119.47 1nx7 s ASP 53 Ca 0.12 1.60 0.16 0.00 0.18 0.00 0.00 52.55 54.61 1nx7 s ASP 53 Cb 0.02 -2.52 0.71 0.00 1.07 0.00 0.00 42.92 42.19 1nx7 s ASP 53 CO -0.02 -1.59 1.63 0.00 1.18 0.00 0.00 175.17 176.37 1nx7 n ALA 54 N 9.86 3.34 -0.34 5.23 0.00 0.95 -4.51 120.51 135.05 1nx7 n ALA 54 Ca 0.23 -1.83 0.02 0.00 0.00 0.00 0.00 53.44 51.86 1nx7 n ALA 54 Cb 0.46 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 19.01 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 3.58 0.05 -0.18 0.00 2.02 -0.68 0.12 112.91 117.82 1nx7 h THR 55 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1nx7 h THR 55 Cb 1.63 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1nx7 h THR 55 CO 0.32 0.00 -0.18 -0.08 0.37 0.00 0.00 175.52 175.95 1nx7 h GLU 56 N -0.02 -0.09 -0.58 6.66 4.57 -1.86 -0.35 114.58 122.92 1nx7 h GLU 56 Ca 0.39 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.65 1nx7 h GLU 56 Cb 0.64 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.18 1nx7 h GLU 56 CO -0.94 -0.06 0.23 -0.91 -1.18 0.00 0.00 179.01 176.15 1nx7 h ASN 57 N -0.09 0.26 -0.94 1.04 -0.26 -1.43 0.37 115.58 114.53 1nx7 h ASN 57 Ca 0.03 0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.89 1nx7 h ASN 57 Cb 0.17 0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.41 1nx7 h ASN 57 CO -0.22 0.16 0.61 0.15 -1.06 0.00 0.00 177.43 177.08 1nx7 h PHE 58 N 0.43 1.11 0.01 1.19 3.57 -0.31 -2.96 116.94 119.98 1nx7 h PHE 58 Ca 0.28 0.03 -0.38 0.00 3.53 0.00 0.00 57.97 61.43 1nx7 h PHE 58 Cb 0.31 -0.36 -0.07 0.00 2.79 0.00 0.00 35.95 38.62 1nx7 h PHE 58 CO -0.15 0.59 -2.41 0.39 -2.23 0.00 0.00 178.31 174.50 1nx7 n GLU 59 N -4.48 0.67 0.34 1.11 -0.58 -0.19 -1.39 120.64 116.11 1nx7 n GLU 59 Ca 0.14 0.12 -0.18 0.00 -0.42 0.00 0.00 57.16 56.81 1nx7 n GLU 59 Cb 0.18 -1.54 -0.10 0.00 -0.57 0.00 0.00 31.44 29.41 1nx7 n GLU 59 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1nx7 h ASP 60 N 0.00 -1.28 -0.58 1.62 3.58 -0.41 -0.22 116.42 119.13 1nx7 h ASP 60 Ca -0.56 0.09 -0.34 0.00 0.42 0.00 0.00 57.03 56.65 1nx7 h ASP 60 Cb 2.00 0.41 -0.13 0.00 1.72 0.00 0.00 39.33 43.33 1nx7 h ASP 60 CO -0.04 -0.68 0.29 0.52 -2.88 0.00 0.00 179.24 176.45 1nx7 n VAL 61 N -5.58 2.91 0.00 2.25 0.31 -1.12 -4.94 118.33 112.17 1nx7 n VAL 61 Ca -0.13 -1.98 0.00 0.00 -0.01 0.00 0.00 64.34 62.22 1nx7 n VAL 61 Cb 0.47 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 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 0.84 0.00 3.64 2.92 0.00 -0.10 -4.77 105.19 107.72 1nx7 n GLY 62 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 1.52 -1.33 1.61 8.25 -0.49 -4.90 115.22 119.89 1nx7 n HIS 63 Ca 0.00 0.55 -0.36 0.00 -0.26 0.00 0.00 57.72 57.65 1nx7 n HIS 63 Cb 0.00 -2.28 0.08 0.00 1.12 0.00 0.00 29.99 28.91 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 0.47 -0.10 -0.17 0.41 7.64 -1.26 -4.39 113.62 116.23 1nx7 n SER 64 Ca 0.08 0.65 -0.07 0.00 1.01 0.00 0.00 58.87 60.54 1nx7 n SER 64 Cb 0.39 -1.34 -0.06 0.00 -1.01 0.00 0.00 64.21 62.19 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 -0.27 0.00 -0.93 0.44 2.02 -1.99 0.29 112.91 112.47 1nx7 h THR 65 Ca -0.47 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.04 1nx7 h THR 65 Cb 1.34 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.58 1nx7 h THR 65 CO 0.46 0.00 0.25 0.47 0.37 0.00 0.00 175.52 177.07 1nx7 n ASP 66 N -4.24 0.10 0.14 4.18 9.92 -1.26 -0.57 116.55 124.82 1nx7 n ASP 66 Ca -0.00 1.56 -0.25 0.00 -0.53 0.00 0.00 54.79 55.57 1nx7 n ASP 66 Cb 0.17 -0.66 -0.16 0.00 -0.64 0.00 0.00 41.12 39.83 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 1.86 -0.16 -0.61 2.24 0.00 -0.87 0.27 119.26 122.00 1nx7 h ALA 67 Ca 0.67 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nx7 h ALA 67 Cb 1.62 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1nx7 h ALA 67 CO -0.80 0.68 0.38 -0.09 0.00 0.00 0.00 179.25 179.43 1nx7 h ARG 68 N 0.12 0.81 -0.05 0.00 2.43 0.11 -0.61 114.38 117.19 1nx7 h ARG 68 Ca -0.26 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 58.63 1nx7 h ARG 68 Cb 2.15 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 1nx7 h ARG 68 CO 0.27 0.56 -0.87 0.93 -1.51 0.00 0.00 179.97 179.35 1nx7 h GLU 69 N 0.82 0.51 -0.49 0.20 4.39 -0.75 -2.92 114.58 116.35 1nx7 h GLU 69 Ca 0.22 -0.49 0.08 0.00 0.34 0.00 0.00 59.36 59.51 1nx7 h GLU 69 Cb -0.06 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 1nx7 h GLU 69 CO -0.04 1.12 0.09 1.25 -1.16 0.00 0.00 179.01 180.27 1nx7 h LEU 70 N 0.32 -0.01 -1.51 1.33 5.85 -0.30 -2.34 115.31 118.65 1nx7 h LEU 70 Ca -0.07 0.09 0.29 0.00 0.84 0.00 0.00 57.88 59.03 1nx7 h LEU 70 Cb 1.49 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.56 1nx7 h LEU 70 CO 0.16 0.02 0.72 0.77 -0.34 0.00 0.00 178.44 179.77 1nx7 h SER 71 N 0.23 0.33 -0.87 1.25 4.64 -0.90 -0.84 113.55 117.39 1nx7 h SER 71 Ca 0.25 0.07 0.17 0.00 -0.47 0.00 0.00 61.79 61.81 1nx7 h SER 71 Cb 0.33 0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.37 1nx7 h SER 71 CO -0.33 0.05 0.57 0.11 -0.87 0.00 0.00 176.83 176.36 1nx7 h LYS 72 N 0.28 0.50 0.00 4.77 1.79 -1.46 0.97 116.57 123.42 1nx7 h LYS 72 Ca 0.60 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 1nx7 h LYS 72 Cb 1.74 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 1nx7 h LYS 72 CO -0.24 0.33 0.00 1.79 -1.08 0.00 0.00 179.45 180.25 1nx7 h THR 73 N 0.52 0.00 -0.27 -0.16 1.35 -1.31 -2.12 112.91 110.93 1nx7 h THR 73 Ca 0.45 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 1nx7 h THR 73 Cb 0.94 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1nx7 h THR 73 CO -0.18 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.58 1nx7 n PHE 74 N -2.29 0.34 -2.00 4.73 3.72 0.33 -4.96 117.46 117.33 1nx7 n PHE 74 Ca -0.00 -0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 56.72 1nx7 n PHE 74 Cb 0.10 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.18 3.44 -0.20 4.37 1.01 -0.80 -1.25 121.20 126.59 1nx7 s ILE 75 Ca 0.27 0.67 0.15 0.00 0.00 0.00 0.00 60.65 61.73 1nx7 s ILE 75 Cb 0.16 -3.43 -0.23 0.00 0.01 0.00 0.00 42.46 38.97 1nx7 s ILE 75 CO 0.22 -0.04 0.02 2.30 0.00 0.00 0.00 174.94 177.43 1nx7 n ILE 76 N 5.21 1.35 -3.19 2.92 -5.35 -0.44 -4.92 119.36 114.94 1nx7 n ILE 76 Ca 0.17 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1nx7 n ILE 76 Cb 0.42 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 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 1.89 1.10 3.56 3.28 0.00 -1.20 -3.83 105.19 110.00 1nx7 n GLY 77 Ca -0.34 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.39 1.29 -0.22 1.61 2.02 -0.92 -0.19 118.70 121.90 1nx7 s GLU 78 Ca 0.00 -0.57 -0.36 0.00 0.02 0.00 0.00 54.97 54.06 1nx7 s GLU 78 Cb 0.00 0.54 -0.13 0.00 0.10 0.00 0.00 34.13 34.64 1nx7 s GLU 78 CO 0.00 -0.58 1.92 -0.11 0.02 0.00 0.00 175.26 176.51 1nx7 n LEU 79 N -0.38 2.77 -4.48 1.80 7.94 0.96 0.44 117.00 126.05 1nx7 n LEU 79 Ca -0.12 0.86 -0.55 0.00 -1.11 0.00 0.00 56.01 55.09 1nx7 n LEU 79 Cb 0.63 -1.27 -0.06 0.00 0.53 0.00 0.00 43.42 43.24 1nx7 n LEU 79 CO 0.13 -0.35 0.45 1.57 -1.11 0.00 0.00 177.39 178.07 1nx7 n HIS 80 N 7.12 0.43 0.35 1.96 -0.00 0.25 -4.72 115.22 120.60 1nx7 n HIS 80 Ca 0.29 1.00 0.02 0.00 -0.00 0.00 0.00 57.72 59.03 1nx7 n HIS 80 Cb 0.23 -2.08 0.13 0.00 -0.00 0.00 0.00 29.99 28.27 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 1.43 0.18 -0.06 1.57 -0.04 -1.26 -0.63 135.00 136.18 1nx7 n PRO 81 Ca 0.19 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1nx7 n PRO 81 Cb 0.14 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.10 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 -0.88 1.38 0.03 3.54 2.03 -1.26 -4.76 116.55 116.63 1nx7 n ASP 82 Ca 0.03 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.31 1nx7 n ASP 82 Cb 0.01 1.04 -0.01 0.00 -0.72 0.00 0.00 41.12 41.44 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 -0.15 0.00 1.67 1.82 -1.21 -3.54 116.42 115.01 1nx7 h ASP 83 Ca -0.32 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1nx7 h ASP 83 Cb 1.67 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.72 1nx7 h ASP 83 CO 0.02 0.28 0.00 0.54 -1.61 0.00 0.00 179.24 178.46