#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nx7 n VAL 4 N 0.00 1.94 -3.53 0.00 3.14 -1.26 -5.00 118.33 113.62 1nx7 n VAL 4 Ca 0.00 -0.49 -0.40 0.00 -2.96 0.00 0.00 64.34 60.50 1nx7 n VAL 4 Cb 0.00 -1.38 -0.11 0.00 -1.06 0.00 0.00 33.84 31.29 1nx7 n VAL 4 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1nx7 s LYS 5 N -1.70 3.63 -0.34 1.45 1.02 -1.22 -4.96 119.74 117.62 1nx7 s LYS 5 Ca 0.57 -0.53 -0.29 0.00 0.02 0.00 0.00 55.97 55.75 1nx7 s LYS 5 Cb -0.62 -3.76 -0.00 0.00 -0.52 0.00 0.00 37.83 32.93 1nx7 s LYS 5 CO 0.61 -0.37 1.43 0.71 -0.92 0.00 0.00 175.35 176.80 1nx7 s TYR 6 N 1.76 2.42 -0.03 3.18 2.02 -1.26 -1.26 117.35 124.17 1nx7 s TYR 6 Ca 0.07 0.72 0.04 0.00 -0.37 0.00 0.00 57.07 57.53 1nx7 s TYR 6 Cb -0.17 -4.11 -0.03 0.00 -0.40 0.00 0.00 41.96 37.25 1nx7 s TYR 6 CO 0.11 -2.09 -0.14 0.71 -1.57 0.00 0.00 175.55 172.57 1nx7 s TYR 7 N 5.13 2.71 0.36 2.71 2.02 0.12 -4.74 117.35 125.66 1nx7 s TYR 7 Ca 0.62 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 57.20 1nx7 s TYR 7 Cb -0.17 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1nx7 s TYR 7 CO 0.29 0.22 0.54 -0.08 -1.57 0.00 0.00 175.55 174.95 1nx7 s THR 8 N -0.79 4.48 0.30 -0.71 -1.32 -1.26 -0.28 115.64 116.05 1nx7 s THR 8 Ca 0.12 -0.69 0.03 0.00 -1.21 0.00 0.00 61.69 59.95 1nx7 s THR 8 Cb -0.11 -3.61 0.40 0.00 -1.51 0.00 0.00 72.50 67.67 1nx7 s THR 8 CO 0.02 -0.34 1.49 0.18 -2.21 0.00 0.00 174.62 173.75 1nx7 n LEU 9 N -1.80 -0.08 -0.15 9.08 4.77 -1.26 -0.08 117.00 127.48 1nx7 n LEU 9 Ca -0.02 1.61 -0.04 0.00 -0.03 0.00 0.00 56.01 57.53 1nx7 n LEU 9 Cb 0.57 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1nx7 n LEU 9 CO 0.46 -1.64 0.43 1.21 -1.33 0.00 0.00 177.39 176.52 1nx7 n GLU 10 N -5.39 -0.16 -0.15 3.23 4.07 -1.26 -0.14 120.64 120.84 1nx7 n GLU 10 Ca 0.23 1.06 -0.05 0.00 -0.06 0.00 0.00 57.16 58.34 1nx7 n GLU 10 Cb 0.76 -1.57 0.01 0.00 -0.06 0.00 0.00 31.44 30.58 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 -0.15 -0.45 5.31 4.39 -0.86 -0.04 114.58 122.78 1nx7 h GLU 11 Ca 0.06 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1nx7 h GLU 11 Cb 0.15 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1nx7 h GLU 11 CO -0.34 -0.10 0.19 0.82 -1.16 0.00 0.00 179.01 178.42 1nx7 h ILE 12 N -0.16 1.17 -0.14 3.13 5.03 -1.12 -3.16 117.51 122.26 1nx7 h ILE 12 Ca 0.22 -0.52 -0.10 0.00 -0.12 0.00 0.00 64.86 64.34 1nx7 h ILE 12 Cb 0.51 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 34.91 1nx7 h ILE 12 CO -0.58 0.20 -0.34 -0.61 -0.68 0.00 0.00 178.15 176.14 1nx7 h GLN 13 N 0.64 0.29 0.00 2.37 4.15 0.14 0.19 115.11 122.90 1nx7 h GLN 13 Ca 0.16 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1nx7 h GLN 13 Cb 0.12 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1nx7 h GLN 13 CO -0.02 0.60 0.00 1.63 -1.93 0.00 0.00 178.83 179.11 1nx7 n LYS 14 N -4.08 0.16 -3.69 1.69 5.02 -1.05 -4.26 118.16 111.94 1nx7 n LYS 14 Ca -0.01 0.18 -0.27 0.00 -2.02 0.00 0.00 58.31 56.19 1nx7 n LYS 14 Cb 0.44 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.31 2.32 -2.01 2.13 8.25 0.68 -4.71 115.22 120.57 1nx7 n HIS 15 Ca 0.06 -4.06 -0.00 0.00 -0.26 0.00 0.00 57.72 53.46 1nx7 n HIS 15 Cb 0.10 -0.43 -0.00 0.00 1.12 0.00 0.00 29.99 30.78 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 1.92 -0.04 -4.94 0.41 6.94 -0.10 -0.47 115.26 118.97 1nx7 n ASN 16 Ca 0.24 -1.31 -0.24 0.00 -0.02 0.00 0.00 54.58 53.25 1nx7 n ASN 16 Cb 0.39 -0.03 -0.01 0.00 -2.36 0.00 0.00 39.78 37.77 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 -0.33 6.23 0.32 0.53 0.01 0.29 -4.86 114.94 117.14 1nx7 s ASN 17 Ca 0.01 0.43 0.10 0.00 -0.71 0.00 0.00 52.86 52.68 1nx7 s ASN 17 Cb 0.01 -1.96 0.96 0.00 0.41 0.00 0.00 41.25 40.67 1nx7 s ASN 17 CO -0.00 -0.35 1.62 -1.28 -1.51 0.00 0.00 177.10 175.58 1nx7 h SER 18 N 0.70 0.11 0.00 -1.22 0.87 -2.00 -2.97 113.55 109.04 1nx7 h SER 18 Ca -0.49 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1nx7 h SER 18 Cb 1.22 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1nx7 h SER 18 CO 0.61 -0.26 -0.36 2.29 -0.53 0.00 0.00 176.83 178.58 1nx7 n LYS 19 N -5.24 0.27 -2.78 2.24 2.85 -1.26 -4.87 118.16 109.37 1nx7 n LYS 19 Ca 0.28 0.34 -0.43 0.00 -1.05 0.00 0.00 58.31 57.46 1nx7 n LYS 19 Cb 0.92 -1.23 -0.02 0.00 -0.65 0.00 0.00 35.03 34.04 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 -4.86 6.63 -0.19 -5.58 0.15 -1.12 -4.72 113.70 104.00 1nx7 s SER 20 Ca -0.10 -1.92 -0.02 0.00 0.70 0.00 0.00 55.95 54.61 1nx7 s SER 20 Cb 0.01 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1nx7 s SER 20 CO 0.15 -1.21 -0.11 -0.89 1.20 0.00 0.00 173.24 172.38 1nx7 s THR 21 N 3.52 2.82 0.49 6.45 2.01 -1.24 -0.54 115.64 129.14 1nx7 s THR 21 Ca 0.39 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1nx7 s THR 21 Cb -0.02 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 1nx7 s THR 21 CO -0.08 0.48 0.06 0.26 -0.69 0.00 0.00 174.62 174.65 1nx7 s TRP 22 N 1.28 2.00 0.24 4.92 0.52 0.38 -1.88 118.94 126.40 1nx7 s TRP 22 Ca 0.03 -0.87 -0.21 0.00 0.02 0.00 0.00 56.10 55.08 1nx7 s TRP 22 Cb -0.14 -1.70 0.06 0.00 -1.15 0.00 0.00 33.47 30.55 1nx7 s TRP 22 CO -0.06 0.19 0.93 -0.48 0.02 0.00 0.00 176.95 177.56 1nx7 s LEU 23 N -3.89 -0.04 -0.11 2.99 0.05 -0.52 -0.28 118.68 116.87 1nx7 s LEU 23 Ca 0.16 -0.76 0.03 0.00 0.05 0.00 0.00 54.13 53.60 1nx7 s LEU 23 Cb 0.03 2.36 -0.00 0.00 -2.05 0.00 0.00 46.19 46.53 1nx7 s LEU 23 CO 0.09 -1.20 -0.20 -0.63 -0.55 0.00 0.00 176.35 173.85 1nx7 s ILE 24 N -2.52 2.38 -0.55 1.48 1.01 0.33 -0.30 121.20 123.03 1nx7 s ILE 24 Ca 0.18 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1nx7 s ILE 24 Cb -0.03 -1.94 0.17 0.00 0.01 0.00 0.00 42.46 40.66 1nx7 s ILE 24 CO 0.07 0.55 0.40 -0.76 0.00 0.00 0.00 174.94 175.20 1nx7 s LEU 25 N 0.35 3.11 0.00 2.97 1.02 0.16 -0.17 118.68 126.13 1nx7 s LEU 25 Ca -0.16 -3.39 0.00 0.00 0.02 0.00 0.00 54.13 50.60 1nx7 s LEU 25 Cb -0.17 -1.05 0.00 0.00 0.02 0.00 0.00 46.19 44.99 1nx7 s LEU 25 CO 0.08 -0.14 0.00 1.41 0.02 0.00 0.00 176.35 177.72 1nx7 n HIS 26 N 2.51 0.00 0.00 0.29 8.25 -1.26 -3.96 115.22 121.05 1nx7 n HIS 26 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1nx7 n HIS 26 Cb 0.41 -2.32 0.00 0.00 1.12 0.00 0.00 29.99 29.19 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 -1.41 0.00 -2.49 4.41 4.01 -1.26 -4.93 117.16 115.49 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 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.45 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 4.65 -0.22 -0.72 -0.14 -1.25 0.19 119.74 122.24 1nx7 s LYS 28 Ca 0.00 1.78 -0.11 0.00 -1.36 0.00 0.00 55.97 56.29 1nx7 s LYS 28 Cb 0.00 -3.20 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1nx7 s LYS 28 CO 0.00 0.22 0.16 0.08 -0.76 0.00 0.00 175.35 175.05 1nx7 s VAL 29 N -1.09 5.37 -0.22 3.17 1.01 0.10 -0.66 120.40 128.08 1nx7 s VAL 29 Ca 0.45 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 1nx7 s VAL 29 Cb -0.32 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1nx7 s VAL 29 CO 0.40 0.38 -0.07 -0.31 0.00 0.00 0.00 175.10 175.51 1nx7 s TYR 30 N 0.75 2.94 -0.99 5.22 1.51 0.58 -0.91 117.35 126.45 1nx7 s TYR 30 Ca 0.08 -1.11 -0.05 0.00 -1.01 0.00 0.00 57.07 54.98 1nx7 s TYR 30 Cb -0.12 -2.07 0.06 0.00 -0.11 0.00 0.00 41.96 39.71 1nx7 s TYR 30 CO 0.02 -0.61 2.63 -0.40 -1.11 0.00 0.00 175.55 176.08 1nx7 n ASP 31 N 4.76 7.44 -0.17 2.29 5.75 -0.26 -1.44 116.55 134.91 1nx7 n ASP 31 Ca -0.18 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.51 1nx7 n ASP 31 Cb 0.50 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 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 1.63 0.17 -0.24 -2.12 4.77 -1.09 -4.31 117.00 115.81 1nx7 n LEU 32 Ca 0.58 -0.09 0.03 0.00 -0.03 0.00 0.00 56.01 56.50 1nx7 n LEU 32 Cb 0.38 -0.09 0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1nx7 n LEU 32 CO 0.55 0.04 0.77 0.74 -1.33 0.00 0.00 177.39 178.16 1nx7 h THR 33 N 0.00 0.33 0.01 -5.08 2.02 -1.66 0.26 112.91 108.79 1nx7 h THR 33 Ca 0.00 -0.02 -0.23 0.00 0.77 0.00 0.00 66.41 66.94 1nx7 h THR 33 Cb 0.09 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1nx7 h THR 33 CO 0.00 0.01 -1.11 0.11 0.37 0.00 0.00 175.52 174.90 1nx7 h LYS 34 N 0.05 0.03 0.00 6.66 1.57 -1.89 -3.35 116.57 119.62 1nx7 h LYS 34 Ca 0.37 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1nx7 h LYS 34 Cb 0.60 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1nx7 h LYS 34 CO -0.69 0.97 -0.10 0.35 -0.57 0.00 0.00 179.45 179.41 1nx7 h PHE 35 N 0.01 0.00 -0.92 -1.35 3.57 -0.83 0.13 116.94 117.55 1nx7 h PHE 35 Ca -0.05 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.70 1nx7 h PHE 35 Cb 1.82 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 40.39 1nx7 h PHE 35 CO 0.01 0.10 0.01 1.28 -2.23 0.00 0.00 178.31 177.48 1nx7 n LEU 36 N -3.81 -0.11 -0.03 0.59 4.77 -0.43 -0.47 117.00 117.50 1nx7 n LEU 36 Ca -0.02 1.56 -0.17 0.00 -0.03 0.00 0.00 56.01 57.35 1nx7 n LEU 36 Cb 0.20 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1nx7 n LEU 36 CO 0.31 -1.58 0.30 -0.33 -1.33 0.00 0.00 177.39 174.76 1nx7 h GLU 37 N 0.00 0.72 0.13 3.23 5.08 -1.23 -3.01 114.58 119.49 1nx7 h GLU 37 Ca 0.56 -0.58 -0.28 0.00 -1.00 0.00 0.00 59.36 58.05 1nx7 h GLU 37 Cb 1.14 0.12 0.02 0.00 0.50 0.00 0.00 28.75 30.52 1nx7 h GLU 37 CO -0.87 1.19 -1.24 0.93 -1.00 0.00 0.00 179.01 178.03 1nx7 h GLU 38 N 0.42 0.45 -6.44 2.33 5.08 -1.24 -3.48 114.58 111.70 1nx7 h GLU 38 Ca -0.04 -0.65 -0.57 0.00 -1.00 0.00 0.00 59.36 57.09 1nx7 h GLU 38 Cb 1.32 0.23 0.04 0.00 0.50 0.00 0.00 28.75 30.83 1nx7 h GLU 38 CO 0.14 1.29 1.00 1.58 -1.00 0.00 0.00 179.01 182.02 1nx7 n HIS 39 N -3.68 2.42 -0.05 4.33 -0.00 0.38 -4.90 115.22 113.72 1nx7 n HIS 39 Ca -0.11 0.04 0.17 0.00 0.46 0.00 0.00 57.72 58.27 1nx7 n HIS 39 Cb 1.00 -2.65 0.61 0.00 -0.12 0.00 0.00 29.99 28.83 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 7.83 0.17 -0.87 1.57 0.13 -1.92 0.16 132.00 139.08 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 1.25 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nx7 h PRO 40 CO 0.93 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1nx7 n GLY 41 N -1.59 1.90 7.00 1.56 0.00 -1.26 -5.03 105.19 107.77 1nx7 n GLY 41 Ca 0.10 -0.26 0.00 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 0.19 -1.33 0.12 -0.02 0.00 0.56 -4.50 105.19 100.21 1nx7 n GLY 42 Ca 0.08 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.11 0.63 -0.15 1.61 0.00 -1.14 -4.54 120.64 115.95 1nx7 n GLU 43 Ca 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 57.16 57.51 1nx7 n GLU 43 Cb 0.00 -1.66 0.06 0.00 0.00 0.00 0.00 31.44 29.83 1nx7 n GLU 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1nx7 h GLU 44 N -0.58 0.18 -0.68 3.44 4.81 -1.89 0.12 114.58 119.98 1nx7 h GLU 44 Ca -0.47 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.87 1nx7 h GLU 44 Cb 1.64 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.89 1nx7 h GLU 44 CO -0.16 0.12 0.24 -0.39 -0.73 0.00 0.00 179.01 178.10 1nx7 h VAL 45 N 0.19 0.69 -0.11 0.32 -1.51 -1.82 0.20 116.25 114.21 1nx7 h VAL 45 Ca 0.24 -0.14 -0.11 0.00 -1.23 0.00 0.00 66.70 65.46 1nx7 h VAL 45 Cb 0.33 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.75 1nx7 h VAL 45 CO -0.34 0.07 -0.35 -0.07 -1.23 0.00 0.00 177.57 175.65 1nx7 h LEU 46 N 0.40 0.50 -0.46 4.19 3.38 -1.21 -1.60 115.31 120.51 1nx7 h LEU 46 Ca 0.36 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1nx7 h LEU 46 Cb 0.51 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1nx7 h LEU 46 CO -0.37 1.02 0.20 -0.09 0.09 0.00 0.00 178.44 179.29 1nx7 h ARG 47 N 0.01 0.39 -0.76 1.13 1.12 -0.43 0.12 114.38 115.96 1nx7 h ARG 47 Ca -0.01 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.81 1nx7 h ARG 47 Cb 0.98 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.81 1nx7 h ARG 47 CO 0.08 0.26 0.37 0.93 -3.11 0.00 0.00 179.97 178.49 1nx7 h GLU 48 N 0.40 1.09 0.00 0.20 5.08 -0.57 -0.79 114.58 120.00 1nx7 h GLU 48 Ca 0.21 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nx7 h GLU 48 Cb 0.15 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1nx7 h GLU 48 CO -0.17 0.83 0.00 1.04 -1.00 0.00 0.00 179.01 179.71 1nx7 n GLN 49 N -4.32 0.50 -1.84 2.33 1.13 -0.61 -4.95 117.38 109.62 1nx7 n GLN 49 Ca 0.07 0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.75 1nx7 n GLN 49 Cb 0.13 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 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 -2.42 3.76 -0.63 -1.58 0.00 0.38 -2.67 121.76 118.60 1nx7 s ALA 50 Ca 0.29 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.70 1nx7 s ALA 50 Cb 0.18 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1nx7 s ALA 50 CO 0.38 -0.89 0.55 0.41 0.00 0.00 0.00 175.76 176.20 1nx7 n GLY 51 N 2.69 0.24 3.78 0.00 0.00 0.61 -4.68 105.19 107.83 1nx7 n GLY 51 Ca 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.18 -0.19 -0.32 -0.02 0.00 -1.09 -4.12 107.32 98.40 1nx7 s GLY 52 Ca 0.26 -0.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.65 1nx7 s GLY 52 CO 0.34 -0.02 1.93 0.51 0.00 0.00 0.00 173.10 175.85 1nx7 s ASP 53 N -2.90 5.70 -0.13 1.64 -4.77 -1.26 -0.51 116.67 114.44 1nx7 s ASP 53 Ca 0.11 1.38 0.15 0.00 -3.30 0.00 0.00 52.55 50.89 1nx7 s ASP 53 Cb -0.04 -2.52 0.46 0.00 -1.09 0.00 0.00 42.92 39.73 1nx7 s ASP 53 CO 0.03 -1.85 1.37 0.00 0.70 0.00 0.00 175.17 175.42 1nx7 n ALA 54 N 10.97 2.75 -0.22 2.11 0.00 0.76 -4.51 120.51 132.36 1nx7 n ALA 54 Ca 0.25 -1.97 0.02 0.00 0.00 0.00 0.00 53.44 51.74 1nx7 n ALA 54 Cb 0.47 -0.63 0.11 0.00 0.00 0.00 0.00 19.45 19.40 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 1.83 0.41 0.00 0.00 2.02 -1.63 0.82 112.91 116.36 1nx7 h THR 55 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1nx7 h THR 55 Cb 1.23 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1nx7 h THR 55 CO 0.16 0.01 0.00 1.21 0.37 0.00 0.00 175.52 177.27 1nx7 n GLU 56 N -5.34 0.00 -0.29 6.66 0.00 -1.26 -0.24 120.64 120.17 1nx7 n GLU 56 Ca 0.10 0.79 -0.06 0.00 0.00 0.00 0.00 57.16 57.99 1nx7 n GLU 56 Cb 0.39 -1.20 0.06 0.00 0.00 0.00 0.00 31.44 30.69 1nx7 n GLU 56 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1nx7 h ASN 57 N 0.00 1.08 -0.36 4.31 -0.00 -1.57 0.10 115.58 119.14 1nx7 h ASN 57 Ca 0.00 -0.17 0.01 0.00 -0.00 0.00 0.00 56.30 56.15 1nx7 h ASN 57 Cb 0.00 -0.28 -0.02 0.00 -0.00 0.00 0.00 38.32 38.02 1nx7 h ASN 57 CO 0.00 0.95 0.22 0.15 -0.00 0.00 0.00 177.43 178.75 1nx7 h PHE 58 N 1.15 0.41 0.10 0.67 3.57 -0.61 -3.26 116.94 118.97 1nx7 h PHE 58 Ca 0.27 0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.49 1nx7 h PHE 58 Cb 0.20 -0.14 0.03 0.00 2.79 0.00 0.00 35.95 38.83 1nx7 h PHE 58 CO 0.02 0.25 -1.21 0.93 -2.23 0.00 0.00 178.31 176.07 1nx7 h GLU 59 N 0.45 0.63 -0.69 1.11 4.39 0.31 -3.11 114.58 117.68 1nx7 h GLU 59 Ca 0.14 -0.80 0.14 0.00 0.34 0.00 0.00 59.36 59.17 1nx7 h GLU 59 Cb -0.01 0.26 -0.13 0.00 -0.10 0.00 0.00 28.75 28.77 1nx7 h GLU 59 CO -0.06 1.36 -0.18 0.22 -1.16 0.00 0.00 179.01 179.20 1nx7 h ASP 60 N 0.29 -0.66 0.42 1.42 3.58 -0.92 0.93 116.42 121.49 1nx7 h ASP 60 Ca -0.17 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1nx7 h ASP 60 Cb 1.87 0.43 0.00 0.00 1.72 0.00 0.00 39.33 43.36 1nx7 h ASP 60 CO 0.23 -0.23 -0.11 1.33 -2.88 0.00 0.00 179.24 177.57 1nx7 n VAL 61 N -5.46 0.00 -2.64 2.25 0.24 -1.23 -4.97 118.33 106.52 1nx7 n VAL 61 Ca 0.09 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.34 62.24 1nx7 n VAL 61 Cb 0.36 -0.13 0.05 0.00 -1.47 0.00 0.00 33.84 32.64 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 1.30 -0.39 3.65 7.63 0.00 0.32 -4.98 105.19 112.72 1nx7 n GLY 62 Ca 0.14 0.25 -0.39 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 -2.63 1.31 -1.53 1.61 8.25 -1.20 -4.97 115.22 116.05 1nx7 n HIS 63 Ca -0.05 0.47 -0.34 0.00 -0.26 0.00 0.00 57.72 57.53 1nx7 n HIS 63 Cb 0.58 -2.23 0.08 0.00 1.12 0.00 0.00 29.99 29.55 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 -0.99 4.40 0.17 0.41 1.04 -1.26 -4.82 113.70 112.64 1nx7 s SER 64 Ca 0.70 2.33 -0.19 0.00 0.48 0.00 0.00 55.95 59.27 1nx7 s SER 64 Cb -0.46 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 63.16 1nx7 s SER 64 CO 0.51 -2.12 1.64 0.74 0.98 0.00 0.00 173.24 174.98 1nx7 h THR 65 N -0.12 0.45 -1.00 2.02 2.02 -1.99 0.38 112.91 114.67 1nx7 h THR 65 Ca -0.48 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.08 1nx7 h THR 65 Cb 1.29 0.45 -0.18 0.00 -1.74 0.00 0.00 68.15 67.97 1nx7 h THR 65 CO 0.51 0.00 0.39 0.44 0.37 0.00 0.00 175.52 177.23 1nx7 h ASP 66 N -0.13 0.09 0.44 4.18 5.19 -1.98 0.11 116.42 124.32 1nx7 h ASP 66 Ca 0.18 0.27 -0.31 0.00 -0.62 0.00 0.00 57.03 56.55 1nx7 h ASP 66 Cb 0.41 0.33 0.01 0.00 0.18 0.00 0.00 39.33 40.26 1nx7 h ASP 66 CO -0.45 -0.42 -1.45 0.00 -3.12 0.00 0.00 179.24 173.81 1nx7 h ALA 67 N 2.00 0.09 -0.42 3.45 0.00 -1.32 0.22 119.26 123.27 1nx7 h ALA 67 Ca 0.78 -0.97 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1nx7 h ALA 67 Cb 1.96 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.90 1nx7 h ALA 67 CO -0.82 0.96 0.18 0.00 0.00 0.00 0.00 179.25 179.57 1nx7 h ARG 68 N 0.10 0.37 0.01 0.00 3.08 -0.15 0.12 114.38 117.90 1nx7 h ARG 68 Ca -0.22 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.60 1nx7 h ARG 68 Cb 2.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 32.01 1nx7 h ARG 68 CO 0.21 0.24 -0.91 0.93 -1.07 0.00 0.00 179.97 179.37 1nx7 h GLU 69 N 0.38 0.18 0.18 0.04 4.39 -0.67 -2.99 114.58 116.09 1nx7 h GLU 69 Ca 0.19 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1nx7 h GLU 69 Cb 0.13 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1nx7 h GLU 69 CO -0.16 0.97 -0.09 1.25 -1.16 0.00 0.00 179.01 179.83 1nx7 h LEU 70 N 0.09 -0.21 -1.99 1.33 5.85 -0.47 -3.17 115.31 116.74 1nx7 h LEU 70 Ca -0.05 -0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.91 1nx7 h LEU 70 Cb 1.56 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 1nx7 h LEU 70 CO 0.14 -0.13 0.61 0.77 -0.34 0.00 0.00 178.44 179.49 1nx7 h SER 71 N -0.26 0.00 -0.99 1.25 4.64 -0.61 -0.72 113.55 116.85 1nx7 h SER 71 Ca -0.02 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.49 1nx7 h SER 71 Cb 0.20 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.19 1nx7 h SER 71 CO 0.04 0.00 0.62 0.11 -0.87 0.00 0.00 176.83 176.73 1nx7 h LYS 72 N 0.00 0.66 0.00 4.77 1.79 -1.51 0.43 116.57 122.70 1nx7 h LYS 72 Ca 0.40 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1nx7 h LYS 72 Cb 1.62 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 1nx7 h LYS 72 CO -0.00 0.44 0.00 1.79 -1.08 0.00 0.00 179.45 180.59 1nx7 h THR 73 N 0.68 0.00 -0.43 -0.16 1.35 -1.32 -1.63 112.91 111.40 1nx7 h THR 73 Ca 0.57 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.41 1nx7 h THR 73 Cb 0.99 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1nx7 h THR 73 CO -0.34 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.42 1nx7 n PHE 74 N -2.69 0.56 -2.60 4.73 3.72 0.14 -4.96 117.46 116.35 1nx7 n PHE 74 Ca -0.02 -0.31 -0.43 0.00 -0.05 0.00 0.00 57.45 56.65 1nx7 n PHE 74 Cb 0.06 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.32 4.58 -0.03 4.37 1.01 -0.62 -1.11 121.20 128.10 1nx7 s ILE 75 Ca 0.38 1.88 0.06 0.00 0.00 0.00 0.00 60.65 62.97 1nx7 s ILE 75 Cb 0.22 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 1nx7 s ILE 75 CO 0.30 -0.05 0.11 2.30 0.00 0.00 0.00 174.94 177.59 1nx7 n ILE 76 N 4.83 0.13 -2.67 2.92 -5.35 -0.09 -4.97 119.36 114.15 1nx7 n ILE 76 Ca 0.11 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1nx7 n ILE 76 Cb 0.47 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 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 2.28 2.28 3.39 3.28 0.00 -1.21 -3.41 105.19 111.80 1nx7 n GLY 77 Ca -0.04 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.83 0.94 -0.19 1.61 2.12 -0.39 -0.72 118.70 121.24 1nx7 s GLU 78 Ca 0.00 -0.07 -0.37 0.00 0.36 0.00 0.00 54.97 54.90 1nx7 s GLU 78 Cb 0.00 0.43 -0.13 0.00 0.26 0.00 0.00 34.13 34.69 1nx7 s GLU 78 CO 0.00 -0.31 1.85 -0.11 -0.54 0.00 0.00 175.26 176.16 1nx7 n LEU 79 N 0.80 2.96 -4.45 2.70 7.94 0.13 0.13 117.00 127.20 1nx7 n LEU 79 Ca -0.19 0.97 -0.52 0.00 -1.11 0.00 0.00 56.01 55.16 1nx7 n LEU 79 Cb 0.58 -1.27 -0.05 0.00 0.53 0.00 0.00 43.42 43.21 1nx7 n LEU 79 CO 0.22 -0.24 0.27 1.57 -1.11 0.00 0.00 177.39 178.10 1nx7 n HIS 80 N 6.40 0.09 0.00 1.96 -0.00 0.61 -4.54 115.22 119.73 1nx7 n HIS 80 Ca 0.25 0.98 0.00 0.00 -0.00 0.00 0.00 57.72 58.96 1nx7 n HIS 80 Cb 0.22 -2.04 0.00 0.00 -0.00 0.00 0.00 29.99 28.18 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 1.24 0.00 -0.07 1.57 -0.04 -1.26 -0.42 135.00 136.02 1nx7 n PRO 81 Ca 0.18 0.41 -0.04 0.00 -0.04 0.00 0.00 63.50 64.02 1nx7 n PRO 81 Cb 0.18 -1.54 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 1nx7 n PRO 81 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nx7 n ASP 82 N -1.41 0.30 0.05 3.54 9.92 -1.26 -4.27 116.55 123.42 1nx7 n ASP 82 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.20 1nx7 n ASP 82 Cb 0.04 1.25 -0.11 0.00 -0.64 0.00 0.00 41.12 41.65 1nx7 n ASP 82 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1nx7 h ASP 83 N 0.00 0.00 0.00 -2.24 1.82 -1.07 -3.54 116.42 111.39 1nx7 h ASP 83 Ca -0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1nx7 h ASP 83 Cb 1.82 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.83 1nx7 h ASP 83 CO 0.02 0.95 0.00 0.54 -1.61 0.00 0.00 179.24 179.14