#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 -0.29 0.00 0.11 -1.26 -4.97 120.40 114.00 1nx7 s VAL 4 Ca 0.00 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1nx7 s VAL 4 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1nx7 s VAL 4 CO 0.00 0.00 0.07 -0.54 -3.33 0.00 0.00 175.10 171.30 1nx7 s LYS 5 N -0.60 3.18 -0.36 1.54 1.02 -1.23 -4.99 119.74 118.30 1nx7 s LYS 5 Ca -0.06 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.85 1nx7 s LYS 5 Cb -0.02 -3.35 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1nx7 s LYS 5 CO 0.06 -0.40 1.37 0.71 -0.92 0.00 0.00 175.35 176.17 1nx7 s TYR 6 N 1.51 2.51 -0.07 3.18 2.02 -1.26 -1.54 117.35 123.70 1nx7 s TYR 6 Ca 0.03 0.75 0.04 0.00 -0.37 0.00 0.00 57.07 57.52 1nx7 s TYR 6 Cb -0.17 -4.14 -0.02 0.00 -0.40 0.00 0.00 41.96 37.24 1nx7 s TYR 6 CO 0.02 -1.89 -0.19 0.71 -1.57 0.00 0.00 175.55 172.63 1nx7 s TYR 7 N 4.97 2.60 0.57 2.71 2.02 0.13 -4.67 117.35 125.69 1nx7 s TYR 7 Ca 0.59 -0.54 -0.06 0.00 -0.37 0.00 0.00 57.07 56.70 1nx7 s TYR 7 Cb -0.15 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1nx7 s TYR 7 CO 0.29 -0.10 0.88 -0.08 -1.57 0.00 0.00 175.55 174.97 1nx7 s THR 8 N -0.21 3.89 0.37 -0.71 -1.32 -1.26 -0.42 115.64 115.98 1nx7 s THR 8 Ca -0.01 0.04 0.20 0.00 -1.21 0.00 0.00 61.69 60.71 1nx7 s THR 8 Cb -0.13 -3.53 0.36 0.00 -1.51 0.00 0.00 72.50 67.69 1nx7 s THR 8 CO 0.03 -0.54 1.62 -0.07 -2.21 0.00 0.00 174.62 173.45 1nx7 h LEU 9 N -0.10 0.38 -0.31 9.08 3.38 -1.96 0.23 115.31 126.00 1nx7 h LEU 9 Ca -0.46 0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1nx7 h LEU 9 Cb 1.25 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.12 1nx7 h LEU 9 CO 0.61 -0.29 -0.55 -0.08 0.09 0.00 0.00 178.44 178.22 1nx7 h GLU 10 N 0.13 -0.44 -0.60 1.13 4.57 -1.97 0.36 114.58 117.75 1nx7 h GLU 10 Ca 0.80 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 59.13 1nx7 h GLU 10 Cb 2.09 0.10 -0.12 0.00 -0.16 0.00 0.00 28.75 30.66 1nx7 h GLU 10 CO -0.66 -0.30 -0.18 0.93 -1.18 0.00 0.00 179.01 177.62 1nx7 h GLU 11 N -0.46 -0.03 -1.00 1.92 3.07 -0.91 0.24 114.58 117.41 1nx7 h GLU 11 Ca 0.06 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.95 1nx7 h GLU 11 Cb 0.63 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.49 1nx7 h GLU 11 CO -0.54 -0.02 0.66 0.82 -1.40 0.00 0.00 179.01 178.52 1nx7 h ILE 12 N -0.03 1.22 -0.05 3.13 5.03 -1.12 -3.12 117.51 122.56 1nx7 h ILE 12 Ca 0.28 -0.45 -0.09 0.00 -0.12 0.00 0.00 64.86 64.48 1nx7 h ILE 12 Cb 0.47 -0.20 -0.01 0.00 -3.03 0.00 0.00 36.82 34.04 1nx7 h ILE 12 CO -0.64 0.24 -0.40 -0.61 -0.68 0.00 0.00 178.15 176.06 1nx7 h GLN 13 N 1.31 0.11 0.00 2.37 5.75 0.30 0.23 115.11 125.17 1nx7 h GLN 13 Ca 0.38 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1nx7 h GLN 13 Cb -0.08 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.46 1nx7 h GLN 13 CO -0.10 0.49 0.00 1.63 -2.65 0.00 0.00 178.83 178.20 1nx7 n LYS 14 N -4.05 0.01 -3.59 1.69 5.02 -0.46 -4.35 118.16 112.44 1nx7 n LYS 14 Ca -0.02 0.23 -0.27 0.00 -2.02 0.00 0.00 58.31 56.23 1nx7 n LYS 14 Cb 0.45 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.49 2.27 -2.02 2.13 8.25 0.79 -4.73 115.22 120.42 1nx7 n HIS 15 Ca 0.04 -4.01 -0.06 0.00 -0.26 0.00 0.00 57.72 53.43 1nx7 n HIS 15 Cb 0.18 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 30.80 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 1.69 -0.80 -3.32 0.41 6.94 -0.70 -0.60 115.26 118.89 1nx7 n ASN 16 Ca 0.25 -1.89 -0.11 0.00 -0.02 0.00 0.00 54.58 52.81 1nx7 n ASN 16 Cb 0.41 0.24 0.05 0.00 -2.36 0.00 0.00 39.78 38.12 1nx7 n ASN 16 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1nx7 n ASN 17 N 0.02 0.79 -0.15 0.53 3.02 0.27 -4.89 115.26 114.85 1nx7 n ASN 17 Ca -0.23 -1.63 -0.08 0.00 -0.03 0.00 0.00 54.58 52.61 1nx7 n ASN 17 Cb 0.70 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 1nx7 n ASN 17 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1nx7 h SER 18 N -0.19 -1.24 0.00 6.41 4.64 -2.01 -3.36 113.55 117.80 1nx7 h SER 18 Ca -0.16 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1nx7 h SER 18 Cb 0.61 0.57 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1nx7 h SER 18 CO 0.18 -0.33 0.00 2.29 -0.87 0.00 0.00 176.83 178.10 1nx7 n LYS 19 N -5.42 0.00 -2.76 4.77 2.85 -1.26 -4.98 118.16 111.36 1nx7 n LYS 19 Ca 0.01 0.34 -0.42 0.00 -1.05 0.00 0.00 58.31 57.19 1nx7 n LYS 19 Cb 0.35 -0.82 -0.03 0.00 -0.65 0.00 0.00 35.03 33.87 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 -2.90 7.32 -0.31 -5.58 0.15 -1.26 -4.83 113.70 106.30 1nx7 s SER 20 Ca 0.00 1.60 -0.00 0.00 0.70 0.00 0.00 55.95 58.25 1nx7 s SER 20 Cb 0.00 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.86 1nx7 s SER 20 CO 0.00 -0.23 0.08 -0.89 1.20 0.00 0.00 173.24 173.40 1nx7 s THR 21 N 0.94 1.12 0.18 6.45 2.01 -1.26 -0.57 115.64 124.51 1nx7 s THR 21 Ca 0.50 -1.51 0.06 0.00 0.31 0.00 0.00 61.69 61.04 1nx7 s THR 21 Cb -0.21 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1nx7 s THR 21 CO 0.27 -0.62 0.12 0.26 -0.69 0.00 0.00 174.62 173.96 1nx7 s TRP 22 N 1.50 3.10 0.31 4.92 0.52 0.23 -0.75 118.94 128.76 1nx7 s TRP 22 Ca 0.09 -0.05 -0.20 0.00 0.02 0.00 0.00 56.10 55.97 1nx7 s TRP 22 Cb -0.18 -1.48 0.03 0.00 -1.15 0.00 0.00 33.47 30.70 1nx7 s TRP 22 CO -0.21 0.52 0.75 -0.48 0.02 0.00 0.00 176.95 177.55 1nx7 s LEU 23 N -3.18 -0.18 -0.11 2.99 0.05 -0.90 -0.27 118.68 117.08 1nx7 s LEU 23 Ca 0.31 -0.77 0.03 0.00 0.05 0.00 0.00 54.13 53.75 1nx7 s LEU 23 Cb -0.10 2.75 0.01 0.00 -2.05 0.00 0.00 46.19 46.80 1nx7 s LEU 23 CO 0.23 -1.44 -0.21 -0.63 -0.55 0.00 0.00 176.35 173.74 1nx7 s ILE 24 N -3.42 1.92 -0.63 1.48 1.01 -0.40 -0.45 121.20 120.71 1nx7 s ILE 24 Ca 0.12 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.90 1nx7 s ILE 24 Cb -0.06 -1.69 0.16 0.00 0.01 0.00 0.00 42.46 40.89 1nx7 s ILE 24 CO 0.08 0.53 0.42 -0.76 0.00 0.00 0.00 174.94 175.21 1nx7 s LEU 25 N 0.61 4.35 -0.40 2.97 1.02 0.28 0.33 118.68 127.84 1nx7 s LEU 25 Ca -0.13 -3.57 -0.01 0.00 0.02 0.00 0.00 54.13 50.44 1nx7 s LEU 25 Cb -0.17 -1.51 -0.01 0.00 0.02 0.00 0.00 46.19 44.53 1nx7 s LEU 25 CO 0.03 -0.13 0.37 1.41 0.02 0.00 0.00 176.35 178.06 1nx7 n HIS 26 N 2.33 -1.46 0.00 0.29 8.25 -1.26 -3.68 115.22 119.69 1nx7 n HIS 26 Ca 0.17 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 1nx7 n HIS 26 Cb 0.35 -2.91 0.00 0.00 1.12 0.00 0.00 29.99 28.55 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 -1.57 0.00 -2.57 4.41 9.36 -1.26 -4.92 117.16 120.60 1nx7 n TYR 27 Ca -0.01 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.79 1nx7 n TYR 27 Cb 0.51 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.20 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 4.40 -0.17 2.98 -0.14 -1.24 0.24 119.74 125.80 1nx7 s LYS 28 Ca 0.00 1.54 -0.19 0.00 -1.36 0.00 0.00 55.97 55.96 1nx7 s LYS 28 Cb 0.00 -3.54 -0.03 0.00 -1.68 0.00 0.00 37.83 32.58 1nx7 s LYS 28 CO 0.00 -0.36 0.53 0.08 -0.76 0.00 0.00 175.35 174.84 1nx7 s VAL 29 N 2.01 5.12 -0.23 3.17 1.01 0.34 -0.56 120.40 131.26 1nx7 s VAL 29 Ca 0.52 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 63.44 1nx7 s VAL 29 Cb -0.22 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1nx7 s VAL 29 CO 0.21 0.21 0.05 -0.31 0.00 0.00 0.00 175.10 175.26 1nx7 s TYR 30 N 1.35 3.08 -0.45 5.22 1.51 0.40 -1.01 117.35 127.46 1nx7 s TYR 30 Ca 0.26 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.61 1nx7 s TYR 30 Cb -0.15 -2.18 0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1nx7 s TYR 30 CO 0.10 -0.30 1.14 0.34 -1.11 0.00 0.00 175.55 175.72 1nx7 s ASP 31 N 1.36 6.67 0.00 2.29 2.15 -0.14 -2.11 116.67 126.89 1nx7 s ASP 31 Ca 0.05 0.58 0.22 0.00 0.43 0.00 0.00 52.55 53.83 1nx7 s ASP 31 Cb -0.15 -2.55 0.63 0.00 -0.30 0.00 0.00 42.92 40.55 1nx7 s ASP 31 CO 0.03 -1.20 1.52 0.18 -0.17 0.00 0.00 175.17 175.53 1nx7 n LEU 32 N 7.72 3.91 -0.22 -1.34 4.77 0.07 -4.60 117.00 127.30 1nx7 n LEU 32 Ca 0.12 -2.00 0.03 0.00 -0.03 0.00 0.00 56.01 54.13 1nx7 n LEU 32 Cb 0.49 -0.48 0.13 0.00 -2.33 0.00 0.00 43.42 41.23 1nx7 n LEU 32 CO 0.70 0.98 0.87 0.74 -1.33 0.00 0.00 177.39 179.34 1nx7 h THR 33 N 4.18 0.49 -0.93 -5.08 2.02 -1.76 0.12 112.91 111.95 1nx7 h THR 33 Ca 0.00 -0.06 -0.50 0.00 0.77 0.00 0.00 66.41 66.62 1nx7 h THR 33 Cb 0.98 0.30 -0.29 0.00 -1.74 0.00 0.00 68.15 67.40 1nx7 h THR 33 CO 0.00 0.03 0.64 2.29 0.37 0.00 0.00 175.52 178.85 1nx7 n LYS 34 N -5.24 2.22 0.00 6.66 -0.00 -1.26 -4.08 118.16 116.46 1nx7 n LYS 34 Ca 0.11 -2.84 0.00 0.00 -0.00 0.00 0.00 58.31 55.58 1nx7 n LYS 34 Cb 0.40 -2.11 0.00 0.00 -0.00 0.00 0.00 35.03 33.32 1nx7 n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1nx7 n PHE 35 N -1.01 0.00 -0.17 5.58 7.35 0.29 -4.85 117.46 124.66 1nx7 n PHE 35 Ca 0.56 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 57.22 1nx7 n PHE 35 Cb 1.48 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 41.29 1nx7 n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1nx7 n LEU 36 N -1.45 -0.38 -0.01 -2.13 4.77 -0.39 -0.73 117.00 116.68 1nx7 n LEU 36 Ca 0.00 0.74 -0.13 0.00 -0.03 0.00 0.00 56.01 56.59 1nx7 n LEU 36 Cb 0.28 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1nx7 n LEU 36 CO 0.00 -0.63 0.37 -0.33 -1.33 0.00 0.00 177.39 175.47 1nx7 h GLU 37 N 0.00 0.68 -0.44 3.23 5.08 -1.89 -2.98 114.58 118.26 1nx7 h GLU 37 Ca 0.10 -0.50 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 1nx7 h GLU 37 Cb 0.20 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1nx7 h GLU 37 CO -0.40 1.12 -0.29 0.93 -1.00 0.00 0.00 179.01 179.37 1nx7 h GLU 38 N 0.49 0.98 -6.28 2.33 4.39 -1.26 -3.45 114.58 111.78 1nx7 h GLU 38 Ca -0.02 -0.46 -0.62 0.00 0.34 0.00 0.00 59.36 58.60 1nx7 h GLU 38 Cb 1.26 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.92 1nx7 h GLU 38 CO 0.13 1.13 1.08 1.58 -1.16 0.00 0.00 179.01 181.77 1nx7 n HIS 39 N -4.09 2.32 0.28 4.33 -0.00 -0.02 -4.88 115.22 113.16 1nx7 n HIS 39 Ca -0.01 0.02 0.12 0.00 0.46 0.00 0.00 57.72 58.32 1nx7 n HIS 39 Cb 0.50 -2.65 0.81 0.00 -0.12 0.00 0.00 29.99 28.52 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 8.99 0.00 -0.35 1.57 0.13 -1.91 0.20 132.00 140.63 1nx7 h PRO 40 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nx7 h PRO 40 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 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 -1.41 -0.04 2.85 1.56 0.00 -1.26 -5.03 105.19 101.87 1nx7 n GLY 41 Ca -0.03 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 0.38 -1.86 0.11 -0.02 0.00 0.69 -4.58 105.19 99.90 1nx7 n GLY 42 Ca 0.01 -1.28 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.78 1.61 -0.00 -1.79 -3.41 114.58 110.36 1nx7 h GLU 43 Ca 0.01 -0.26 0.07 0.00 -0.00 0.00 0.00 59.36 59.19 1nx7 h GLU 43 Cb 0.49 0.10 -0.10 0.00 -0.00 0.00 0.00 28.75 29.24 1nx7 h GLU 43 CO 0.00 1.12 -0.45 -1.91 -0.00 0.00 0.00 179.01 177.78 1nx7 n GLU 44 N -4.19 -0.33 -0.24 1.06 2.13 -1.26 -0.12 120.64 117.69 1nx7 n GLU 44 Ca -0.22 1.18 -0.01 0.00 0.66 0.00 0.00 57.16 58.77 1nx7 n GLU 44 Cb 0.76 -1.74 0.11 0.00 0.27 0.00 0.00 31.44 30.84 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 0.95 -0.15 6.31 -1.51 -1.81 0.28 116.25 120.32 1nx7 h VAL 45 Ca 0.14 -0.23 -0.13 0.00 -1.23 0.00 0.00 66.70 65.24 1nx7 h VAL 45 Cb 0.33 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 1nx7 h VAL 45 CO -0.74 0.12 -0.43 -0.07 -1.23 0.00 0.00 177.57 175.22 1nx7 h LEU 46 N 0.68 0.64 -1.08 4.19 3.38 -0.75 -1.45 115.31 120.91 1nx7 h LEU 46 Ca 0.31 -0.59 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1nx7 h LEU 46 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1nx7 h LEU 46 CO -0.20 1.12 -0.22 -0.09 0.09 0.00 0.00 178.44 179.14 1nx7 h ARG 47 N 0.19 0.38 -0.17 1.13 1.12 -0.52 0.34 114.38 116.86 1nx7 h ARG 47 Ca -0.01 -0.13 -0.04 0.00 -1.11 0.00 0.00 59.98 58.69 1nx7 h ARG 47 Cb 1.06 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.98 1nx7 h ARG 47 CO 0.09 0.59 -0.04 0.93 -3.11 0.00 0.00 179.97 178.43 1nx7 h GLU 48 N 0.35 0.32 0.00 0.20 5.08 -0.39 -3.06 114.58 117.08 1nx7 h GLU 48 Ca 0.06 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1nx7 h GLU 48 Cb 0.58 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nx7 h GLU 48 CO 0.04 0.59 -0.08 1.96 -1.00 0.00 0.00 179.01 180.52 1nx7 h GLN 49 N 0.03 0.00 -6.07 2.33 1.08 -0.77 -3.46 115.11 108.25 1nx7 h GLN 49 Ca 0.04 0.00 -0.79 0.00 -1.45 0.00 0.00 58.65 56.45 1nx7 h GLN 49 Cb 0.47 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.93 1nx7 h GLN 49 CO 0.02 0.08 0.53 0.00 -0.95 0.00 0.00 178.83 178.51 1nx7 n ALA 50 N -2.21 -1.67 -1.85 3.87 0.00 0.12 -1.96 120.51 116.80 1nx7 n ALA 50 Ca -0.01 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1nx7 n ALA 50 Cb 0.24 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 3.14 0.81 3.69 0.00 0.00 0.63 -4.67 105.19 108.78 1nx7 n GLY 51 Ca 0.25 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.83 -0.30 -0.29 -0.02 0.00 -0.83 -4.50 107.32 98.55 1nx7 s GLY 52 Ca 0.00 0.39 -0.28 0.00 0.00 0.00 0.00 44.72 44.83 1nx7 s GLY 52 CO 0.00 0.08 1.86 0.51 0.00 0.00 0.00 173.10 175.55 1nx7 s ASP 53 N -2.87 5.88 -0.10 1.64 -4.77 -1.26 -1.27 116.67 113.92 1nx7 s ASP 53 Ca 0.12 1.46 0.18 0.00 -3.30 0.00 0.00 52.55 51.00 1nx7 s ASP 53 Cb -0.00 -2.52 0.65 0.00 -1.09 0.00 0.00 42.92 39.95 1nx7 s ASP 53 CO -0.01 -1.70 1.56 0.00 0.70 0.00 0.00 175.17 175.73 1nx7 n ALA 54 N 10.29 2.91 -0.37 2.11 0.00 0.15 -4.53 120.51 131.08 1nx7 n ALA 54 Ca 0.24 -1.60 0.01 0.00 0.00 0.00 0.00 53.44 52.09 1nx7 n ALA 54 Cb 0.46 -0.90 0.07 0.00 0.00 0.00 0.00 19.45 19.09 1nx7 n ALA 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nx7 n THR 55 N 0.92 -0.49 -0.17 0.00 -1.04 0.41 -0.34 114.28 113.57 1nx7 n THR 55 Ca 0.24 2.32 -0.09 0.00 -2.04 0.00 0.00 64.05 64.47 1nx7 n THR 55 Cb 0.82 -3.11 -0.07 0.00 -1.82 0.00 0.00 70.33 66.14 1nx7 n THR 55 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1nx7 h GLU 56 N 0.00 -0.17 -0.46 -2.82 4.57 -1.87 0.13 114.58 113.95 1nx7 h GLU 56 Ca 0.39 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.60 1nx7 h GLU 56 Cb 0.64 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 1nx7 h GLU 56 CO -1.00 -0.12 0.27 -0.91 -1.18 0.00 0.00 179.01 176.08 1nx7 h ASN 57 N -0.18 0.45 -0.81 1.04 -0.26 -1.53 0.29 115.58 114.57 1nx7 h ASN 57 Ca 0.07 0.00 0.15 0.00 -0.56 0.00 0.00 56.30 55.97 1nx7 h ASN 57 Cb 0.38 -0.09 -0.10 0.00 -1.06 0.00 0.00 38.32 37.45 1nx7 h ASN 57 CO -0.52 0.32 0.37 0.15 -1.06 0.00 0.00 177.43 176.69 1nx7 h PHE 58 N 0.55 0.63 0.07 1.19 3.57 0.17 -2.22 116.94 120.90 1nx7 h PHE 58 Ca 0.18 0.04 -0.29 0.00 3.53 0.00 0.00 57.97 61.43 1nx7 h PHE 58 Cb 0.01 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1nx7 h PHE 58 CO -0.07 0.10 -1.51 0.93 -2.23 0.00 0.00 178.31 175.53 1nx7 h GLU 59 N 0.51 0.14 0.11 1.11 4.39 0.03 0.31 114.58 121.18 1nx7 h GLU 59 Ca 0.45 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1nx7 h GLU 59 Cb 0.69 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1nx7 h GLU 59 CO -0.40 0.94 -0.05 0.22 -1.16 0.00 0.00 179.01 178.55 1nx7 h ASP 60 N 0.04 -0.13 0.16 1.42 3.58 -0.43 -2.23 116.42 118.83 1nx7 h ASP 60 Ca -0.22 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.08 1nx7 h ASP 60 Cb 1.97 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 43.04 1nx7 h ASP 60 CO 0.13 -0.04 -0.39 0.58 -2.88 0.00 0.00 179.24 176.64 1nx7 h VAL 61 N -0.20 1.30 0.00 2.25 2.07 -1.48 -3.47 116.25 116.72 1nx7 h VAL 61 Ca -0.02 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1nx7 h VAL 61 Cb 0.16 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1nx7 h VAL 61 CO 0.02 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.68 1nx7 n GLY 62 N -0.19 1.71 0.67 2.17 0.00 0.11 -4.87 105.19 104.79 1nx7 n GLY 62 Ca -0.01 -0.12 0.00 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 0.00 -1.86 -1.64 1.61 8.25 -1.26 -4.76 115.22 115.57 1nx7 n HIS 63 Ca 0.00 0.99 -0.37 0.00 -0.26 0.00 0.00 57.72 58.08 1nx7 n HIS 63 Cb 0.00 -2.03 0.07 0.00 1.12 0.00 0.00 29.99 29.15 1nx7 n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1nx7 n SER 64 N -1.11 1.64 -0.10 0.41 3.41 -1.26 -4.69 113.62 111.92 1nx7 n SER 64 Ca 0.00 0.79 -0.09 0.00 -0.26 0.00 0.00 58.87 59.31 1nx7 n SER 64 Cb 0.03 -1.51 -0.04 0.00 -0.26 0.00 0.00 64.21 62.43 1nx7 n SER 64 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1nx7 h THR 65 N 0.36 0.17 -0.96 6.66 2.02 -1.99 0.15 112.91 119.32 1nx7 h THR 65 Ca -0.50 0.00 0.28 0.00 0.77 0.00 0.00 66.41 66.96 1nx7 h THR 65 Cb 1.34 0.17 -0.17 0.00 -1.74 0.00 0.00 68.15 67.75 1nx7 h THR 65 CO 0.52 0.00 0.13 0.44 0.37 0.00 0.00 175.52 176.97 1nx7 h ASP 66 N -0.33 -0.28 0.04 4.18 5.19 -1.98 0.12 116.42 123.36 1nx7 h ASP 66 Ca 0.14 0.26 -0.26 0.00 -0.62 0.00 0.00 57.03 56.55 1nx7 h ASP 66 Cb 0.57 0.41 0.02 0.00 0.18 0.00 0.00 39.33 40.51 1nx7 h ASP 66 CO -0.52 -0.32 -1.02 0.00 -3.12 0.00 0.00 179.24 174.25 1nx7 h ALA 67 N 1.93 0.17 -0.63 3.45 0.00 -1.21 0.28 119.26 123.24 1nx7 h ALA 67 Ca 0.61 -0.70 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1nx7 h ALA 67 Cb 1.31 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1nx7 h ALA 67 CO -0.84 0.70 0.31 -0.09 0.00 0.00 0.00 179.25 179.34 1nx7 h ARG 68 N 0.38 0.55 0.11 0.00 2.43 0.23 -0.38 114.38 117.71 1nx7 h ARG 68 Ca -0.12 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.74 1nx7 h ARG 68 Cb 1.67 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1nx7 h ARG 68 CO 0.20 0.37 -1.24 0.93 -1.51 0.00 0.00 179.97 178.71 1nx7 h GLU 69 N 0.57 0.24 -0.63 0.20 4.39 -0.59 -3.03 114.58 115.73 1nx7 h GLU 69 Ca 0.30 -0.42 0.09 0.00 0.34 0.00 0.00 59.36 59.67 1nx7 h GLU 69 Cb 0.26 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 1nx7 h GLU 69 CO -0.22 1.19 0.27 1.25 -1.16 0.00 0.00 179.01 180.34 1nx7 h LEU 70 N 0.07 0.32 -1.00 1.33 5.85 -0.22 -2.61 115.31 119.05 1nx7 h LEU 70 Ca -0.13 0.07 0.38 0.00 0.84 0.00 0.00 57.88 59.04 1nx7 h LEU 70 Cb 1.96 0.02 -0.18 0.00 0.37 0.00 0.00 40.66 42.83 1nx7 h LEU 70 CO 0.19 0.19 0.44 0.77 -0.34 0.00 0.00 178.44 179.69 1nx7 h SER 71 N 0.48 0.18 -0.46 1.25 4.64 -0.94 -1.50 113.55 117.21 1nx7 h SER 71 Ca 0.31 0.26 0.13 0.00 -0.47 0.00 0.00 61.79 62.02 1nx7 h SER 71 Cb 0.34 0.30 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1nx7 h SER 71 CO -0.28 -0.39 0.39 0.11 -0.87 0.00 0.00 176.83 175.79 1nx7 h LYS 72 N 0.03 0.00 0.00 4.77 1.79 -1.58 0.23 116.57 121.82 1nx7 h LYS 72 Ca 0.79 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.26 1nx7 h LYS 72 Cb 1.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 1nx7 h LYS 72 CO -0.78 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 177.84 1nx7 n THR 73 N -4.10 0.95 0.33 -0.16 -2.24 -0.56 -2.83 114.28 105.66 1nx7 n THR 73 Ca 0.08 0.44 0.07 0.00 -2.27 0.00 0.00 64.05 62.37 1nx7 n THR 73 Cb 0.59 -1.39 0.10 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.21 0.19 -2.09 4.78 3.72 0.07 -4.97 117.46 116.96 1nx7 n PHE 74 Ca 0.01 -0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 1nx7 n PHE 74 Cb 0.14 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.13 3.64 -0.12 4.37 1.01 -1.13 -0.97 121.20 126.87 1nx7 s ILE 75 Ca 0.21 0.86 0.14 0.00 0.00 0.00 0.00 60.65 61.86 1nx7 s ILE 75 Cb 0.13 -3.56 -0.21 0.00 0.01 0.00 0.00 42.46 38.84 1nx7 s ILE 75 CO 0.19 -0.06 0.13 2.30 0.00 0.00 0.00 174.94 177.50 1nx7 n ILE 76 N 5.24 0.79 -3.00 2.92 -5.35 -0.18 -4.91 119.36 114.87 1nx7 n ILE 76 Ca 0.16 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1nx7 n ILE 76 Cb 0.43 -0.42 0.00 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 1.93 1.68 3.50 3.28 0.00 -1.16 -3.48 105.19 110.94 1nx7 n GLY 77 Ca -0.20 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.89 1.36 -0.01 1.61 2.02 -0.59 -0.50 118.70 121.70 1nx7 s GLU 78 Ca 0.00 -0.99 -0.30 0.00 0.02 0.00 0.00 54.97 53.70 1nx7 s GLU 78 Cb 0.00 0.48 -0.08 0.00 0.10 0.00 0.00 34.13 34.63 1nx7 s GLU 78 CO 0.00 -0.56 1.93 -1.17 0.02 0.00 0.00 175.26 175.48 1nx7 s LEU 79 N -2.91 4.31 -0.02 1.80 2.96 0.14 0.21 118.68 125.17 1nx7 s LEU 79 Ca 0.13 2.50 -0.29 0.00 -0.22 0.00 0.00 54.13 56.24 1nx7 s LEU 79 Cb -0.00 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 43.02 1nx7 s LEU 79 CO -0.00 -1.12 0.79 1.57 -1.32 0.00 0.00 176.35 176.27 1nx7 n HIS 80 N 7.86 0.51 0.52 5.38 -0.00 0.44 -4.76 115.22 125.17 1nx7 n HIS 80 Ca 0.20 0.77 0.00 0.00 -0.00 0.00 0.00 57.72 58.69 1nx7 n HIS 80 Cb 0.42 -1.51 0.02 0.00 -0.00 0.00 0.00 29.99 28.92 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 1.19 0.26 -0.01 1.57 -0.04 -1.26 -0.76 135.00 135.95 1nx7 n PRO 81 Ca 0.15 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.60 1nx7 n PRO 81 Cb 0.05 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.54 4.39 0.10 3.54 9.92 -1.26 -4.82 116.55 127.88 1nx7 n ASP 82 Ca 0.01 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1nx7 n ASP 82 Cb 0.00 0.63 -0.08 0.00 -0.64 0.00 0.00 41.12 41.03 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 -0.26 0.00 -2.24 1.82 -1.27 -3.54 116.42 110.93 1nx7 h ASP 83 Ca -0.06 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1nx7 h ASP 83 Cb 1.03 0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1nx7 h ASP 83 CO 0.00 0.22 0.00 0.54 -1.61 0.00 0.00 179.24 178.40