#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 -0.34 0.00 0.11 -1.26 -5.01 120.40 113.90 1nx7 s VAL 4 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1nx7 s VAL 4 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1nx7 s VAL 4 CO 0.00 0.00 0.17 -0.54 -3.33 0.00 0.00 175.10 171.40 1nx7 s LYS 5 N -0.38 3.02 -0.47 1.54 1.02 -1.25 -5.01 119.74 118.21 1nx7 s LYS 5 Ca -0.04 -0.94 -0.28 0.00 0.02 0.00 0.00 55.97 54.73 1nx7 s LYS 5 Cb -0.03 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1nx7 s LYS 5 CO 0.04 -0.57 1.50 0.71 -0.92 0.00 0.00 175.35 176.11 1nx7 s TYR 6 N 1.56 2.22 -0.08 3.18 2.02 -1.26 -1.67 117.35 123.31 1nx7 s TYR 6 Ca 0.03 0.61 0.01 0.00 -0.37 0.00 0.00 57.07 57.34 1nx7 s TYR 6 Cb -0.18 -4.30 -0.03 0.00 -0.40 0.00 0.00 41.96 37.05 1nx7 s TYR 6 CO 0.06 -2.14 -0.07 0.71 -1.57 0.00 0.00 175.55 172.53 1nx7 s TYR 7 N 6.15 2.92 0.46 2.71 2.02 0.13 -4.65 117.35 127.09 1nx7 s TYR 7 Ca 0.61 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 57.26 1nx7 s TYR 7 Cb -0.14 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 1nx7 s TYR 7 CO 0.29 0.27 0.71 -0.08 -1.57 0.00 0.00 175.55 175.17 1nx7 s THR 8 N -0.66 4.16 0.36 -0.71 -1.32 -1.26 -0.52 115.64 115.68 1nx7 s THR 8 Ca 0.10 -0.34 0.17 0.00 -1.21 0.00 0.00 61.69 60.41 1nx7 s THR 8 Cb -0.11 -3.56 0.35 0.00 -1.51 0.00 0.00 72.50 67.67 1nx7 s THR 8 CO 0.02 -0.43 1.60 -0.07 -2.21 0.00 0.00 174.62 173.52 1nx7 h LEU 9 N 0.33 0.28 0.47 9.08 3.38 -1.97 0.11 115.31 126.99 1nx7 h LEU 9 Ca -0.46 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1nx7 h LEU 9 Cb 1.24 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 1nx7 h LEU 9 CO 0.59 -0.36 -0.50 -0.08 0.09 0.00 0.00 178.44 178.18 1nx7 h GLU 10 N 0.08 -0.94 -0.81 1.13 4.57 -1.96 0.21 114.58 116.86 1nx7 h GLU 10 Ca 0.79 0.06 0.20 0.00 -1.18 0.00 0.00 59.36 59.23 1nx7 h GLU 10 Cb 2.00 0.21 -0.14 0.00 -0.16 0.00 0.00 28.75 30.66 1nx7 h GLU 10 CO -0.75 -0.63 0.07 0.93 -1.18 0.00 0.00 179.01 177.46 1nx7 h GLU 11 N -0.97 0.13 -0.63 1.92 4.39 -1.17 0.25 114.58 118.50 1nx7 h GLU 11 Ca -0.05 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1nx7 h GLU 11 Cb 0.86 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 1nx7 h GLU 11 CO -0.08 0.09 0.12 0.82 -1.16 0.00 0.00 179.01 178.80 1nx7 h ILE 12 N 0.13 1.25 -1.00 3.13 5.03 -1.09 -3.24 117.51 121.73 1nx7 h ILE 12 Ca 0.46 -0.96 0.03 0.00 -0.12 0.00 0.00 64.86 64.28 1nx7 h ILE 12 Cb 0.86 0.64 -0.06 0.00 -3.03 0.00 0.00 36.82 35.24 1nx7 h ILE 12 CO -0.68 0.36 0.66 -0.61 -0.68 0.00 0.00 178.15 177.20 1nx7 h GLN 13 N 0.95 1.24 0.00 2.37 4.15 0.28 0.27 115.11 124.37 1nx7 h GLN 13 Ca 0.20 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1nx7 h GLN 13 Cb 0.38 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1nx7 h GLN 13 CO 0.01 0.82 0.00 1.63 -1.93 0.00 0.00 178.83 179.36 1nx7 n LYS 14 N -4.43 0.39 -3.63 1.69 5.02 -0.80 -4.37 118.16 112.03 1nx7 n LYS 14 Ca 0.13 0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 56.19 1nx7 n LYS 14 Cb 0.09 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.49 1nx7 n LYS 14 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1nx7 s HIS 15 N -2.14 2.24 0.00 2.13 3.76 0.96 -4.82 115.29 117.41 1nx7 s HIS 15 Ca 0.20 -2.79 0.00 0.00 -0.15 0.00 0.00 55.06 52.31 1nx7 s HIS 15 Cb 0.10 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 32.04 1nx7 s HIS 15 CO 0.18 -0.70 0.00 0.27 -0.85 0.00 0.00 174.74 173.64 1nx7 n ASN 16 N 2.45 0.00 -4.80 1.40 0.23 -0.03 -0.64 115.26 113.86 1nx7 n ASN 16 Ca 0.25 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 54.01 1nx7 n ASN 16 Cb 0.42 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.23 1nx7 n ASN 16 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1nx7 s ASN 17 N -0.71 4.07 -0.12 0.53 0.01 -1.04 -4.65 114.94 113.03 1nx7 s ASN 17 Ca 0.00 1.13 -0.30 0.00 -0.71 0.00 0.00 52.86 52.97 1nx7 s ASN 17 Cb 0.00 -1.78 -0.36 0.00 0.41 0.00 0.00 41.25 39.52 1nx7 s ASN 17 CO 0.00 -2.22 1.64 -1.20 -1.51 0.00 0.00 177.10 173.82 1nx7 n SER 18 N -3.57 1.12 0.00 -1.22 7.64 -1.26 -0.90 113.62 115.43 1nx7 n SER 18 Ca 0.07 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1nx7 n SER 18 Cb 0.58 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1nx7 n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1nx7 n LYS 19 N 7.95 0.00 -3.68 1.43 4.81 -1.26 -5.11 118.16 122.30 1nx7 n LYS 19 Ca 0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.75 1nx7 n LYS 19 Cb 0.42 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.32 1nx7 n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nx7 s SER 20 N 0.00 0.52 -0.43 3.14 0.15 -0.08 -4.99 113.70 112.01 1nx7 s SER 20 Ca 0.00 0.39 0.04 0.00 0.70 0.00 0.00 55.95 57.08 1nx7 s SER 20 Cb 0.00 0.36 0.12 0.00 -1.71 0.00 0.00 66.02 64.79 1nx7 s SER 20 CO 0.00 -0.23 0.16 -0.89 1.20 0.00 0.00 173.24 173.48 1nx7 s THR 21 N 2.14 2.31 0.31 6.45 2.01 -1.26 -0.85 115.64 126.74 1nx7 s THR 21 Ca 0.01 -2.77 0.03 0.00 0.31 0.00 0.00 61.69 59.27 1nx7 s THR 21 Cb -0.12 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1nx7 s THR 21 CO -0.06 -0.71 0.47 0.26 -0.69 0.00 0.00 174.62 173.88 1nx7 s TRP 22 N 0.35 3.41 0.24 4.92 0.52 0.18 -0.33 118.94 128.24 1nx7 s TRP 22 Ca 0.14 0.12 -0.21 0.00 0.02 0.00 0.00 56.10 56.17 1nx7 s TRP 22 Cb -0.22 -1.80 0.06 0.00 -1.15 0.00 0.00 33.47 30.35 1nx7 s TRP 22 CO -0.05 0.20 0.90 -0.48 0.02 0.00 0.00 176.95 177.54 1nx7 s LEU 23 N -4.18 -0.11 -0.12 2.99 0.05 -0.87 -0.12 118.68 116.33 1nx7 s LEU 23 Ca 0.39 -0.68 0.03 0.00 0.05 0.00 0.00 54.13 53.91 1nx7 s LEU 23 Cb -0.09 2.41 0.01 0.00 -2.05 0.00 0.00 46.19 46.46 1nx7 s LEU 23 CO 0.33 -1.19 -0.21 -0.63 -0.55 0.00 0.00 176.35 174.10 1nx7 s ILE 24 N -2.92 1.93 -0.57 1.48 1.01 -0.46 -0.47 121.20 121.20 1nx7 s ILE 24 Ca 0.15 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.93 1nx7 s ILE 24 Cb -0.03 -1.71 0.15 0.00 0.01 0.00 0.00 42.46 40.88 1nx7 s ILE 24 CO 0.06 0.53 0.34 -0.76 0.00 0.00 0.00 174.94 175.11 1nx7 s LEU 25 N 0.75 4.11 -0.55 2.97 1.02 -0.28 0.09 118.68 126.80 1nx7 s LEU 25 Ca -0.09 -3.26 -0.00 0.00 0.02 0.00 0.00 54.13 50.79 1nx7 s LEU 25 Cb -0.16 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.56 1nx7 s LEU 25 CO 0.00 -0.18 0.52 1.41 0.02 0.00 0.00 176.35 178.12 1nx7 n HIS 26 N 2.75 -2.23 0.00 0.29 8.25 -1.26 -3.79 115.22 119.22 1nx7 n HIS 26 Ca 0.12 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.43 1nx7 n HIS 26 Cb 0.34 -3.45 0.00 0.00 1.12 0.00 0.00 29.99 28.00 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 -1.56 0.00 -2.61 4.41 4.01 -1.26 -4.92 117.16 115.23 1nx7 n TYR 27 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1nx7 n TYR 27 Cb 0.50 -0.25 -0.05 0.00 -0.31 0.00 0.00 39.34 39.23 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 4.73 -0.24 -0.72 -0.14 -1.25 -0.17 119.74 121.96 1nx7 s LYS 28 Ca 0.00 1.65 -0.10 0.00 -1.36 0.00 0.00 55.97 56.15 1nx7 s LYS 28 Cb 0.00 -3.24 -0.05 0.00 -1.68 0.00 0.00 37.83 32.86 1nx7 s LYS 28 CO 0.00 0.33 0.16 0.08 -0.76 0.00 0.00 175.35 175.16 1nx7 s VAL 29 N -1.04 5.36 -0.26 3.17 1.01 0.11 -1.13 120.40 127.63 1nx7 s VAL 29 Ca 0.43 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 1nx7 s VAL 29 Cb -0.29 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1nx7 s VAL 29 CO 0.36 0.35 0.04 -0.31 0.00 0.00 0.00 175.10 175.54 1nx7 s TYR 30 N 1.01 3.07 -0.50 5.22 1.51 0.38 -0.93 117.35 127.11 1nx7 s TYR 30 Ca 0.08 -0.83 -0.28 0.00 -1.01 0.00 0.00 57.07 55.02 1nx7 s TYR 30 Cb -0.13 -2.20 0.02 0.00 -0.11 0.00 0.00 41.96 39.53 1nx7 s TYR 30 CO 0.04 -0.51 1.35 0.34 -1.11 0.00 0.00 175.55 175.66 1nx7 s ASP 31 N 1.52 6.31 -0.67 2.29 -1.08 0.15 -2.04 116.67 123.14 1nx7 s ASP 31 Ca 0.04 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1nx7 s ASP 31 Cb -0.16 -2.55 0.40 0.00 -1.46 0.00 0.00 42.92 39.16 1nx7 s ASP 31 CO 0.01 -1.53 1.79 0.18 0.52 0.00 0.00 175.17 176.14 1nx7 n LEU 32 N 8.95 6.84 -0.06 -1.34 4.77 0.55 -4.76 117.00 131.96 1nx7 n LEU 32 Ca 0.13 -4.74 -0.12 0.00 -0.03 0.00 0.00 56.01 51.25 1nx7 n LEU 32 Cb 0.49 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 1nx7 n LEU 32 CO 0.71 1.80 0.36 0.74 -1.33 0.00 0.00 177.39 179.66 1nx7 h THR 33 N 1.84 1.54 0.00 -5.08 2.02 -1.88 -3.19 112.91 108.16 1nx7 h THR 33 Ca 0.52 -2.09 -0.12 0.00 0.77 0.00 0.00 66.41 65.48 1nx7 h THR 33 Cb 0.55 2.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.83 1nx7 h THR 33 CO 1.32 0.51 -0.58 0.07 0.37 0.00 0.00 175.52 177.21 1nx7 h LYS 34 N -0.97 0.00 0.00 6.66 2.10 -1.93 -3.33 116.57 119.10 1nx7 h LYS 34 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1nx7 h LYS 34 Cb 0.84 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 1nx7 h LYS 34 CO 0.00 0.58 -0.19 0.35 -2.00 0.00 0.00 179.45 178.19 1nx7 h PHE 35 N 0.00 0.00 -0.66 0.07 3.57 -1.86 -3.00 116.94 115.07 1nx7 h PHE 35 Ca -0.01 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1nx7 h PHE 35 Cb 1.13 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.77 1nx7 h PHE 35 CO 0.00 0.19 -0.31 1.28 -2.23 0.00 0.00 178.31 177.24 1nx7 n LEU 36 N -3.61 -0.53 0.06 0.59 4.77 -1.21 -0.37 117.00 116.71 1nx7 n LEU 36 Ca -0.01 1.16 -0.21 0.00 -0.03 0.00 0.00 56.01 56.91 1nx7 n LEU 36 Cb 0.32 -0.22 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 1nx7 n LEU 36 CO 0.32 -1.00 0.03 -0.33 -1.33 0.00 0.00 177.39 175.08 1nx7 h GLU 37 N 0.00 0.58 -0.77 3.23 5.08 -1.82 -2.80 114.58 118.08 1nx7 h GLU 37 Ca 0.18 -0.73 -0.04 0.00 -1.00 0.00 0.00 59.36 57.78 1nx7 h GLU 37 Cb 0.34 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1nx7 h GLU 37 CO -0.64 1.31 0.34 0.93 -1.00 0.00 0.00 179.01 179.95 1nx7 h GLU 38 N 0.18 1.13 -6.46 2.33 5.08 -1.37 -3.45 114.58 112.02 1nx7 h GLU 38 Ca -0.15 -0.19 -0.53 0.00 -1.00 0.00 0.00 59.36 57.49 1nx7 h GLU 38 Cb 1.74 -0.19 0.03 0.00 0.50 0.00 0.00 28.75 30.83 1nx7 h GLU 38 CO 0.20 0.90 1.15 -1.58 -1.00 0.00 0.00 179.01 178.69 1nx7 s HIS 39 N -5.63 1.85 0.54 4.33 2.46 0.50 -4.91 115.29 114.44 1nx7 s HIS 39 Ca -0.13 -0.17 0.23 0.00 0.47 0.00 0.00 55.06 55.46 1nx7 s HIS 39 Cb 0.15 -4.20 1.44 0.00 -0.13 0.00 0.00 32.58 29.84 1nx7 s HIS 39 CO 0.83 -5.10 2.10 -1.00 -2.47 0.00 0.00 174.74 169.10 1nx7 h PRO 40 N 9.28 0.00 -0.03 2.88 0.13 -1.91 0.13 132.00 142.49 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1nx7 h PRO 40 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 1nx7 n GLY 41 N -1.53 -0.84 3.81 1.56 0.00 -1.26 -5.03 105.19 101.90 1nx7 n GLY 41 Ca 0.02 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 0.59 -1.83 0.12 -0.02 0.00 0.46 -4.56 105.19 99.96 1nx7 n GLY 42 Ca 0.03 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 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 0.15 -0.52 1.61 -0.00 -1.78 -3.40 114.58 110.65 1nx7 h GLU 43 Ca 0.01 -0.26 0.05 0.00 -0.00 0.00 0.00 59.36 59.15 1nx7 h GLU 43 Cb 0.32 0.10 -0.06 0.00 -0.00 0.00 0.00 28.75 29.11 1nx7 h GLU 43 CO 0.00 1.13 -0.31 -1.91 -0.00 0.00 0.00 179.01 177.92 1nx7 n GLU 44 N -3.95 -0.23 -0.31 1.06 4.07 -1.26 -0.40 120.64 119.62 1nx7 n GLU 44 Ca -0.31 0.86 -0.04 0.00 -0.06 0.00 0.00 57.16 57.61 1nx7 n GLU 44 Cb 0.87 -1.26 0.08 0.00 -0.06 0.00 0.00 31.44 31.07 1nx7 n GLU 44 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1nx7 h VAL 45 N 0.00 1.23 -0.06 6.31 -1.51 -1.80 0.15 116.25 120.56 1nx7 h VAL 45 Ca 0.08 -0.44 -0.16 0.00 -1.23 0.00 0.00 66.70 64.95 1nx7 h VAL 45 Cb 0.21 -0.01 0.01 0.00 -2.13 0.00 0.00 31.29 29.38 1nx7 h VAL 45 CO -0.49 0.23 -0.59 -0.07 -1.23 0.00 0.00 177.57 175.42 1nx7 h LEU 46 N 1.16 0.62 -0.39 4.19 3.38 -0.94 -1.46 115.31 121.88 1nx7 h LEU 46 Ca 0.31 -0.69 0.06 0.00 0.09 0.00 0.00 57.88 57.64 1nx7 h LEU 46 Cb -0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1nx7 h LEU 46 CO -0.06 1.22 0.07 -0.09 0.09 0.00 0.00 178.44 179.67 1nx7 h ARG 47 N 0.07 0.19 -0.69 1.13 2.43 -0.55 0.24 114.38 117.19 1nx7 h ARG 47 Ca -0.06 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1nx7 h ARG 47 Cb 1.26 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.71 1nx7 h ARG 47 CO 0.12 0.12 0.36 0.93 -1.51 0.00 0.00 179.97 180.00 1nx7 h GLU 48 N 0.19 0.62 0.00 0.20 5.08 -0.59 -0.57 114.58 119.51 1nx7 h GLU 48 Ca 0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1nx7 h GLU 48 Cb 0.22 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nx7 h GLU 48 CO -0.25 0.41 0.00 1.04 -1.00 0.00 0.00 179.01 179.21 1nx7 n GLN 49 N -4.83 0.05 -1.73 2.33 1.13 -0.56 -4.93 117.38 108.85 1nx7 n GLN 49 Ca 0.10 0.11 -0.42 0.00 -1.94 0.00 0.00 57.00 54.85 1nx7 n GLN 49 Cb 0.23 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 1nx7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nx7 n ALA 50 N -1.47 2.37 -2.64 -1.58 0.00 0.77 -2.60 120.51 115.36 1nx7 n ALA 50 Ca 0.06 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.82 1nx7 n ALA 50 Cb 0.25 -2.45 0.02 0.00 0.00 0.00 0.00 19.45 17.27 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 2.65 0.41 3.76 0.00 0.00 0.84 -4.78 105.19 108.07 1nx7 n GLY 51 Ca 0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.00 -0.20 -0.16 -0.02 0.00 -1.07 -4.16 107.32 98.72 1nx7 s GLY 52 Ca 0.13 0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.64 1nx7 s GLY 52 CO 0.16 0.17 1.90 0.51 0.00 0.00 0.00 173.10 175.83 1nx7 s ASP 53 N -2.98 6.10 -0.10 1.64 -4.77 -1.26 -1.36 116.67 113.94 1nx7 s ASP 53 Ca 0.13 1.97 0.14 0.00 -3.30 0.00 0.00 52.55 51.49 1nx7 s ASP 53 Cb -0.01 -2.52 0.47 0.00 -1.09 0.00 0.00 42.92 39.76 1nx7 s ASP 53 CO 0.03 -1.44 1.38 0.00 0.70 0.00 0.00 175.17 175.84 1nx7 n ALA 54 N 9.27 2.68 -0.31 2.11 0.00 0.11 -4.57 120.51 129.79 1nx7 n ALA 54 Ca 0.23 -1.72 0.07 0.00 0.00 0.00 0.00 53.44 52.01 1nx7 n ALA 54 Cb 0.44 -0.64 0.17 0.00 0.00 0.00 0.00 19.45 19.42 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 2.23 0.13 -0.21 0.00 2.02 -0.69 0.12 112.91 116.52 1nx7 h THR 55 Ca 0.00 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1nx7 h THR 55 Cb 1.16 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1nx7 h THR 55 CO 0.14 0.00 -0.22 -0.08 0.37 0.00 0.00 175.52 175.73 1nx7 h GLU 56 N 0.02 -0.11 -0.57 6.66 4.57 -1.86 0.19 114.58 123.48 1nx7 h GLU 56 Ca 0.47 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.72 1nx7 h GLU 56 Cb 0.81 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.37 1nx7 h GLU 56 CO -0.87 -0.07 0.28 -0.91 -1.18 0.00 0.00 179.01 176.26 1nx7 h ASN 57 N -0.12 0.38 -0.35 1.04 -0.26 -1.42 0.24 115.58 115.09 1nx7 h ASN 57 Ca 0.04 0.04 0.07 0.00 -0.56 0.00 0.00 56.30 55.88 1nx7 h ASN 57 Cb 0.21 -0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.38 1nx7 h ASN 57 CO -0.26 0.25 -0.07 0.15 -1.06 0.00 0.00 177.43 176.44 1nx7 h PHE 58 N 0.52 -0.15 0.08 1.19 3.57 -0.34 -2.70 116.94 119.12 1nx7 h PHE 58 Ca 0.26 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.51 1nx7 h PHE 58 Cb 0.21 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1nx7 h PHE 58 CO -0.11 -0.13 -1.45 0.93 -2.23 0.00 0.00 178.31 175.32 1nx7 h GLU 59 N 0.02 0.16 0.55 1.11 4.39 0.09 0.12 114.58 121.01 1nx7 h GLU 59 Ca 0.17 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1nx7 h GLU 59 Cb 0.25 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1nx7 h GLU 59 CO -0.34 1.00 -0.36 0.22 -1.16 0.00 0.00 179.01 178.36 1nx7 h ASP 60 N 0.04 -0.93 -0.38 1.42 3.58 -0.62 -2.74 116.42 116.80 1nx7 h ASP 60 Ca -0.20 0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.19 1nx7 h ASP 60 Cb 1.97 0.28 -0.02 0.00 1.72 0.00 0.00 39.33 43.28 1nx7 h ASP 60 CO 0.14 -0.56 -0.18 0.58 -2.88 0.00 0.00 179.24 176.35 1nx7 h VAL 61 N -0.87 1.27 -3.61 2.25 2.07 -1.59 -3.47 116.25 112.30 1nx7 h VAL 61 Ca -0.06 -1.30 -0.36 0.00 0.82 0.00 0.00 66.70 65.80 1nx7 h VAL 61 Cb 0.72 1.12 0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1nx7 h VAL 61 CO 0.05 0.44 -0.51 0.61 0.02 0.00 0.00 177.57 178.18 1nx7 n GLY 62 N -0.26 -0.36 0.00 2.17 0.00 0.42 -4.88 105.19 102.28 1nx7 n GLY 62 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.28 0.00 -3.54 1.61 8.25 -1.24 -4.79 115.22 111.23 1nx7 n HIS 63 Ca -0.13 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.27 1nx7 n HIS 63 Cb 0.62 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.71 1nx7 n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1nx7 s SER 64 N 0.00 -0.28 0.10 0.41 1.04 -1.26 -4.98 113.70 108.73 1nx7 s SER 64 Ca 0.00 -0.01 -0.33 0.00 0.48 0.00 0.00 55.95 56.08 1nx7 s SER 64 Cb 0.00 0.30 -0.14 0.00 0.10 0.00 0.00 66.02 66.28 1nx7 s SER 64 CO 0.00 -0.49 1.58 0.74 0.98 0.00 0.00 173.24 176.05 1nx7 h THR 65 N 2.00 0.09 -0.72 2.02 2.02 -2.00 -0.04 112.91 116.28 1nx7 h THR 65 Ca -0.18 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.16 1nx7 h THR 65 Cb 1.21 0.09 -0.13 0.00 -1.74 0.00 0.00 68.15 67.58 1nx7 h THR 65 CO 0.28 0.00 -0.05 0.44 0.37 0.00 0.00 175.52 176.56 1nx7 h ASP 66 N -0.80 -0.43 -0.49 4.18 5.19 -1.97 0.05 116.42 122.15 1nx7 h ASP 66 Ca -0.02 0.20 -0.05 0.00 -0.62 0.00 0.00 57.03 56.53 1nx7 h ASP 66 Cb 0.76 0.36 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 1nx7 h ASP 66 CO -0.18 -0.19 0.09 0.00 -3.12 0.00 0.00 179.24 175.85 1nx7 h ALA 67 N 1.69 0.65 -0.12 3.45 0.00 -1.81 0.36 119.26 123.47 1nx7 h ALA 67 Ca 0.38 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1nx7 h ALA 67 Cb 0.65 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1nx7 h ALA 67 CO -0.67 0.36 -0.08 -0.09 0.00 0.00 0.00 179.25 178.77 1nx7 h ARG 68 N 0.67 -0.08 0.00 0.00 2.43 -0.30 0.08 114.38 117.18 1nx7 h ARG 68 Ca 0.15 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1nx7 h ARG 68 Cb 0.37 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1nx7 h ARG 68 CO 0.01 -0.06 -0.34 0.93 -1.51 0.00 0.00 179.97 179.00 1nx7 h GLU 69 N -0.09 0.00 -0.14 0.20 4.39 -0.58 -2.08 114.58 116.28 1nx7 h GLU 69 Ca 0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1nx7 h GLU 69 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1nx7 h GLU 69 CO -0.18 0.34 0.02 1.25 -1.16 0.00 0.00 179.01 179.27 1nx7 h LEU 70 N 0.00 0.23 -1.56 1.33 5.85 0.04 -3.31 115.31 117.90 1nx7 h LEU 70 Ca -0.00 -0.28 0.40 0.00 0.84 0.00 0.00 57.88 58.84 1nx7 h LEU 70 Cb 0.92 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.78 1nx7 h LEU 70 CO 0.04 0.45 0.88 0.28 -0.34 0.00 0.00 178.44 179.76 1nx7 h SER 71 N 0.01 0.22 -0.99 1.25 0.02 -0.24 -0.86 113.55 112.95 1nx7 h SER 71 Ca 0.04 0.09 0.25 0.00 -0.84 0.00 0.00 61.79 61.33 1nx7 h SER 71 Cb 0.32 0.07 -0.13 0.00 0.14 0.00 0.00 62.40 62.80 1nx7 h SER 71 CO 0.00 -0.07 0.57 0.11 -1.14 0.00 0.00 176.83 176.31 1nx7 h LYS 72 N 0.13 0.52 0.00 3.45 1.79 -1.65 -0.55 116.57 120.26 1nx7 h LYS 72 Ca 0.75 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.19 1nx7 h LYS 72 Cb 2.44 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.97 1nx7 h LYS 72 CO -0.28 0.34 0.00 0.25 -1.08 0.00 0.00 179.45 178.68 1nx7 n THR 73 N -4.92 1.33 0.69 -0.16 -2.24 -0.33 -1.35 114.28 107.30 1nx7 n THR 73 Ca 0.27 0.61 0.09 0.00 -2.27 0.00 0.00 64.05 62.75 1nx7 n THR 73 Cb 0.77 -1.60 0.08 0.00 -2.10 0.00 0.00 70.33 67.48 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 -1.99 0.02 -2.39 4.78 3.72 -0.21 -5.00 117.46 116.39 1nx7 n PHE 74 Ca -0.01 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 1nx7 n PHE 74 Cb 0.04 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.41 4.04 -0.07 4.37 1.01 -0.45 -0.67 121.20 128.02 1nx7 s ILE 75 Ca 0.20 1.42 0.07 0.00 0.00 0.00 0.00 60.65 62.35 1nx7 s ILE 75 Cb 0.14 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 1nx7 s ILE 75 CO 0.21 0.04 0.05 2.30 0.00 0.00 0.00 174.94 177.54 1nx7 n ILE 76 N 4.40 0.46 -2.47 2.92 -5.35 -0.11 -4.91 119.36 114.30 1nx7 n ILE 76 Ca 0.11 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1nx7 n ILE 76 Cb 0.46 -0.61 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 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 2.43 2.13 3.48 3.28 0.00 -1.20 -3.74 105.19 111.57 1nx7 n GLY 77 Ca -0.11 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 1nx7 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nx7 s GLU 78 N 0.63 1.10 -0.12 1.61 2.12 -0.67 -0.71 118.70 122.65 1nx7 s GLU 78 Ca 0.00 -0.11 -0.31 0.00 0.36 0.00 0.00 54.97 54.90 1nx7 s GLU 78 Cb 0.00 0.51 -0.09 0.00 0.26 0.00 0.00 34.13 34.81 1nx7 s GLU 78 CO 0.00 -0.42 2.04 -0.11 -0.54 0.00 0.00 175.26 176.23 1nx7 n LEU 79 N 0.24 3.43 -4.43 2.70 7.94 0.76 0.21 117.00 127.85 1nx7 n LEU 79 Ca -0.17 0.67 -0.54 0.00 -1.11 0.00 0.00 56.01 54.86 1nx7 n LEU 79 Cb 0.61 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 43.05 1nx7 n LEU 79 CO 0.17 -0.25 0.33 1.57 -1.11 0.00 0.00 177.39 178.10 1nx7 n HIS 80 N 8.73 0.17 0.02 1.96 -0.00 0.32 -4.60 115.22 121.82 1nx7 n HIS 80 Ca 0.26 1.02 0.00 0.00 -0.00 0.00 0.00 57.72 59.00 1nx7 n HIS 80 Cb 0.36 -2.02 0.01 0.00 -0.00 0.00 0.00 29.99 28.34 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 1.28 0.01 -0.09 1.57 -0.04 -1.26 -0.59 135.00 135.88 1nx7 n PRO 81 Ca 0.19 0.26 -0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1nx7 n PRO 81 Cb 0.15 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.26 0.01 0.01 3.54 2.03 -1.26 -4.66 116.55 114.96 1nx7 n ASP 82 Ca 0.00 0.01 -0.02 0.00 0.52 0.00 0.00 54.79 55.30 1nx7 n ASP 82 Cb 0.00 1.07 -0.01 0.00 -0.72 0.00 0.00 41.12 41.47 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 -0.08 0.00 1.67 1.82 -1.18 -3.54 116.42 115.11 1nx7 h ASP 83 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1nx7 h ASP 83 Cb 2.14 0.02 0.00 0.00 0.68 0.00 0.00 39.33 42.17 1nx7 h ASP 83 CO 0.03 0.28 0.00 0.54 -1.61 0.00 0.00 179.24 178.48