#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 -0.25 0.00 0.11 -1.26 -4.88 120.40 114.12 1nx7 s VAL 4 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1nx7 s VAL 4 Cb 0.00 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1nx7 s VAL 4 CO 0.00 0.00 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.12 1nx7 s LYS 5 N -0.44 2.23 0.21 1.54 1.02 -0.72 -4.97 119.74 118.62 1nx7 s LYS 5 Ca -0.01 -1.29 -0.31 0.00 0.02 0.00 0.00 55.97 54.37 1nx7 s LYS 5 Cb -0.03 -2.85 -0.11 0.00 -0.52 0.00 0.00 37.83 34.33 1nx7 s LYS 5 CO 0.00 -0.55 1.61 0.71 -0.92 0.00 0.00 175.35 176.20 1nx7 s TYR 6 N 1.13 2.95 -0.01 3.18 2.02 -1.26 -2.69 117.35 122.68 1nx7 s TYR 6 Ca -0.08 0.60 0.02 0.00 -0.37 0.00 0.00 57.07 57.24 1nx7 s TYR 6 Cb -0.20 -4.02 -0.00 0.00 -0.40 0.00 0.00 41.96 37.35 1nx7 s TYR 6 CO -0.06 -3.68 -0.05 0.71 -1.57 0.00 0.00 175.55 170.91 1nx7 s TYR 7 N 0.81 0.46 0.51 2.71 2.02 0.74 -4.83 117.35 119.77 1nx7 s TYR 7 Ca 0.69 -0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 57.25 1nx7 s TYR 7 Cb -0.46 -0.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 1nx7 s TYR 7 CO 0.36 -0.01 0.82 -0.08 -1.57 0.00 0.00 175.55 175.06 1nx7 s THR 8 N -0.07 4.70 0.42 -0.71 -1.32 -1.26 -0.44 115.64 116.95 1nx7 s THR 8 Ca 0.01 0.21 0.25 0.00 -1.21 0.00 0.00 61.69 60.95 1nx7 s THR 8 Cb -0.03 -3.80 0.44 0.00 -1.51 0.00 0.00 72.50 67.60 1nx7 s THR 8 CO -0.00 -0.81 1.68 -0.07 -2.21 0.00 0.00 174.62 173.21 1nx7 h LEU 9 N 0.12 0.33 0.60 9.08 3.38 -1.96 0.38 115.31 127.24 1nx7 h LEU 9 Ca -0.46 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1nx7 h LEU 9 Cb 1.21 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1nx7 h LEU 9 CO 0.61 -0.09 -0.46 -0.08 0.09 0.00 0.00 178.44 178.51 1nx7 h GLU 10 N 0.21 -0.99 -0.82 1.13 4.57 -1.96 0.14 114.58 116.85 1nx7 h GLU 10 Ca 0.73 0.07 0.20 0.00 -1.18 0.00 0.00 59.36 59.18 1nx7 h GLU 10 Cb 2.13 0.23 -0.14 0.00 -0.16 0.00 0.00 28.75 30.80 1nx7 h GLU 10 CO -0.39 -0.66 0.03 0.93 -1.18 0.00 0.00 179.01 177.73 1nx7 h GLU 11 N -1.03 0.09 -0.58 1.92 4.39 -1.31 0.23 114.58 118.30 1nx7 h GLU 11 Ca -0.07 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1nx7 h GLU 11 Cb 0.87 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1nx7 h GLU 11 CO 0.01 0.06 0.05 0.82 -1.16 0.00 0.00 179.01 178.79 1nx7 h ILE 12 N 0.09 1.25 -0.88 3.13 5.03 -1.21 -3.26 117.51 121.67 1nx7 h ILE 12 Ca 0.47 -1.03 0.02 0.00 -0.12 0.00 0.00 64.86 64.20 1nx7 h ILE 12 Cb 0.86 0.76 -0.05 0.00 -3.03 0.00 0.00 36.82 35.36 1nx7 h ILE 12 CO -0.73 0.37 0.58 -0.61 -0.68 0.00 0.00 178.15 177.09 1nx7 h GLN 13 N 0.89 1.13 0.00 2.37 4.15 0.24 0.21 115.11 124.10 1nx7 h GLN 13 Ca 0.17 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1nx7 h GLN 13 Cb 0.45 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1nx7 h GLN 13 CO 0.02 0.75 -0.08 0.87 -1.93 0.00 0.00 178.83 178.45 1nx7 h LYS 14 N 1.17 0.00 -2.34 1.69 1.57 -1.45 -3.26 116.57 113.95 1nx7 h LYS 14 Ca 0.33 0.00 -0.81 0.00 -1.87 0.00 0.00 60.65 58.30 1nx7 h LYS 14 Cb -0.10 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 31.94 1nx7 h LYS 14 CO -0.08 0.08 1.04 0.72 -0.57 0.00 0.00 179.45 180.64 1nx7 n HIS 15 N -4.32 2.70 -3.35 -1.35 8.25 0.74 -4.59 115.22 113.30 1nx7 n HIS 15 Ca -0.03 -2.57 -0.15 0.00 -0.26 0.00 0.00 57.72 54.72 1nx7 n HIS 15 Cb 0.16 -1.22 -0.07 0.00 1.12 0.00 0.00 29.99 29.98 1nx7 n HIS 15 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1nx7 s ASN 16 N -1.36 1.02 0.27 0.41 3.84 -0.65 -0.21 114.94 118.25 1nx7 s ASN 16 Ca 0.38 -1.26 0.05 0.00 0.21 0.00 0.00 52.86 52.24 1nx7 s ASN 16 Cb 0.17 0.69 -0.02 0.00 -0.55 0.00 0.00 41.25 41.54 1nx7 s ASN 16 CO -0.10 -0.29 0.25 0.59 -2.79 0.00 0.00 177.10 174.76 1nx7 n ASN 17 N 4.56 -0.64 -0.33 -4.21 3.02 0.72 -4.94 115.26 113.45 1nx7 n ASN 17 Ca 0.08 -2.71 0.20 0.00 -0.03 0.00 0.00 54.58 52.11 1nx7 n ASN 17 Cb 0.46 1.43 0.39 0.00 -0.61 0.00 0.00 39.78 41.45 1nx7 n ASN 17 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1nx7 h SER 18 N 1.62 -0.13 0.00 6.41 0.02 -2.00 -2.99 113.55 116.48 1nx7 h SER 18 Ca -0.19 0.26 -0.32 0.00 -0.84 0.00 0.00 61.79 60.70 1nx7 h SER 18 Cb 0.95 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 63.82 1nx7 h SER 18 CO 0.27 -0.34 -2.05 2.29 -1.14 0.00 0.00 176.83 175.86 1nx7 n LYS 19 N -5.37 0.40 -2.17 3.45 2.85 -1.26 -4.98 118.16 111.09 1nx7 n LYS 19 Ca 0.28 0.17 -0.36 0.00 -1.05 0.00 0.00 58.31 57.35 1nx7 n LYS 19 Cb 0.92 -1.17 -0.04 0.00 -0.65 0.00 0.00 35.03 34.09 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 -6.67 5.48 -0.16 -5.58 0.15 -1.13 -4.62 113.70 101.17 1nx7 s SER 20 Ca -0.26 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1nx7 s SER 20 Cb 0.10 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.90 1nx7 s SER 20 CO 0.33 -2.32 -0.09 -0.89 1.20 0.00 0.00 173.24 171.47 1nx7 s THR 21 N 8.49 1.34 0.20 6.45 2.01 -1.25 -0.20 115.64 132.69 1nx7 s THR 21 Ca 0.61 -0.67 0.11 0.00 0.31 0.00 0.00 61.69 62.05 1nx7 s THR 21 Cb -0.09 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1nx7 s THR 21 CO 0.11 0.26 -0.22 0.26 -0.69 0.00 0.00 174.62 174.34 1nx7 s TRP 22 N 1.55 2.34 0.31 4.92 0.52 0.70 -1.43 118.94 127.85 1nx7 s TRP 22 Ca 0.02 -0.34 -0.12 0.00 0.02 0.00 0.00 56.10 55.68 1nx7 s TRP 22 Cb -0.14 -1.14 0.02 0.00 -1.15 0.00 0.00 33.47 31.06 1nx7 s TRP 22 CO -0.09 0.53 0.59 -0.48 0.02 0.00 0.00 176.95 177.53 1nx7 s LEU 23 N -2.81 0.32 -0.10 2.99 0.05 -0.96 -0.25 118.68 117.93 1nx7 s LEU 23 Ca 0.23 -1.07 -0.00 0.00 0.05 0.00 0.00 54.13 53.33 1nx7 s LEU 23 Cb -0.08 2.11 0.02 0.00 -2.05 0.00 0.00 46.19 46.20 1nx7 s LEU 23 CO 0.11 -1.35 -0.07 -0.63 -0.55 0.00 0.00 176.35 173.86 1nx7 s ILE 24 N -3.34 0.95 -0.32 1.48 1.01 -0.41 -0.42 121.20 120.15 1nx7 s ILE 24 Ca 0.21 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1nx7 s ILE 24 Cb -0.03 -0.97 0.09 0.00 0.01 0.00 0.00 42.46 41.57 1nx7 s ILE 24 CO 0.12 0.35 0.02 -0.76 0.00 0.00 0.00 174.94 174.67 1nx7 s LEU 25 N 1.53 4.31 -1.01 2.97 1.02 -0.05 -0.21 118.68 127.24 1nx7 s LEU 25 Ca 0.01 -1.95 -0.12 0.00 0.02 0.00 0.00 54.13 52.09 1nx7 s LEU 25 Cb -0.13 -1.56 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 1nx7 s LEU 25 CO -0.06 -0.34 0.78 1.41 0.02 0.00 0.00 176.35 178.17 1nx7 n HIS 26 N 4.33 -2.25 0.00 0.29 8.25 -1.26 -2.96 115.22 121.63 1nx7 n HIS 26 Ca -0.00 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.16 1nx7 n HIS 26 Cb 0.42 -3.63 0.00 0.00 1.12 0.00 0.00 29.99 27.90 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 -3.35 0.00 -2.65 4.41 4.01 -1.26 -4.94 117.16 113.37 1nx7 n TYR 27 Ca -0.09 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.24 1nx7 n TYR 27 Cb 0.59 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.49 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 4.67 -0.26 -0.72 -0.14 -1.15 -0.19 119.74 121.95 1nx7 s LYS 28 Ca 0.00 1.55 -0.12 0.00 -1.36 0.00 0.00 55.97 56.04 1nx7 s LYS 28 Cb 0.00 -3.34 -0.05 0.00 -1.68 0.00 0.00 37.83 32.77 1nx7 s LYS 28 CO 0.00 0.18 0.25 0.08 -0.76 0.00 0.00 175.35 175.10 1nx7 s VAL 29 N -0.14 5.28 -0.22 3.17 1.01 0.30 -0.87 120.40 128.92 1nx7 s VAL 29 Ca 0.48 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.71 1nx7 s VAL 29 Cb -0.26 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1nx7 s VAL 29 CO 0.32 0.25 0.05 -0.31 0.00 0.00 0.00 175.10 175.41 1nx7 s TYR 30 N 1.62 3.12 -1.53 5.22 1.51 0.44 -1.22 117.35 126.50 1nx7 s TYR 30 Ca 0.10 -0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 55.80 1nx7 s TYR 30 Cb -0.15 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 1nx7 s TYR 30 CO 0.09 -0.18 2.74 -0.40 -1.11 0.00 0.00 175.55 176.69 1nx7 n ASP 31 N 4.38 8.09 -1.72 2.29 5.75 0.17 -2.26 116.55 133.25 1nx7 n ASP 31 Ca -0.16 -2.74 -0.07 0.00 -0.01 0.00 0.00 54.79 51.80 1nx7 n ASP 31 Cb 0.52 -1.52 -0.01 0.00 -1.03 0.00 0.00 41.12 39.08 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 3.38 5.71 0.02 -2.12 4.77 -0.74 -3.79 117.00 124.24 1nx7 n LEU 32 Ca 0.72 -2.83 -0.21 0.00 -0.03 0.00 0.00 56.01 53.66 1nx7 n LEU 32 Cb 0.25 -1.15 -0.14 0.00 -2.33 0.00 0.00 43.42 40.05 1nx7 n LEU 32 CO 0.82 1.19 -0.24 0.74 -1.33 0.00 0.00 177.39 178.57 1nx7 h THR 33 N 1.17 1.22 -0.09 -5.08 2.02 -1.50 -3.24 112.91 107.42 1nx7 h THR 33 Ca 0.12 -2.45 -0.20 0.00 0.77 0.00 0.00 66.41 64.65 1nx7 h THR 33 Cb 1.02 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1nx7 h THR 33 CO 0.28 0.70 -0.76 0.07 0.37 0.00 0.00 175.52 176.18 1nx7 h LYS 34 N -0.34 0.49 0.00 6.66 2.10 -1.88 -3.36 116.57 120.24 1nx7 h LYS 34 Ca -0.24 -0.41 0.00 0.00 -2.00 0.00 0.00 60.65 58.00 1nx7 h LYS 34 Cb 1.71 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.13 1nx7 h LYS 34 CO 0.09 1.05 0.00 0.35 -2.00 0.00 0.00 179.45 178.94 1nx7 h PHE 35 N 0.33 0.00 -0.93 0.07 3.57 -1.77 -3.07 116.94 115.14 1nx7 h PHE 35 Ca -0.04 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.60 1nx7 h PHE 35 Cb 1.35 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.95 1nx7 h PHE 35 CO 0.05 0.00 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.65 1nx7 h LEU 36 N 0.00 -1.52 -0.02 0.59 3.38 -1.70 0.52 115.31 116.56 1nx7 h LEU 36 Ca 0.00 0.30 -0.26 0.00 0.09 0.00 0.00 57.88 58.01 1nx7 h LEU 36 Cb 0.47 0.77 0.02 0.00 0.09 0.00 0.00 40.66 42.01 1nx7 h LEU 36 CO 0.00 -0.29 -1.00 -0.33 0.09 0.00 0.00 178.44 176.91 1nx7 h GLU 37 N -0.03 0.72 -0.36 1.13 5.08 -1.84 -2.77 114.58 116.52 1nx7 h GLU 37 Ca 0.30 -0.74 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1nx7 h GLU 37 Cb 0.56 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1nx7 h GLU 37 CO -0.93 1.32 0.19 0.93 -1.00 0.00 0.00 179.01 179.51 1nx7 h GLU 38 N 0.41 0.50 -6.50 2.33 5.08 -1.54 -3.46 114.58 111.40 1nx7 h GLU 38 Ca -0.12 -0.06 -0.56 0.00 -1.00 0.00 0.00 59.36 57.62 1nx7 h GLU 38 Cb 1.65 -0.10 0.05 0.00 0.50 0.00 0.00 28.75 30.86 1nx7 h GLU 38 CO 0.20 0.43 0.98 1.58 -1.00 0.00 0.00 179.01 181.19 1nx7 n HIS 39 N -4.76 2.48 -0.09 4.33 -0.00 0.12 -4.91 115.22 112.40 1nx7 n HIS 39 Ca -0.01 0.06 0.12 0.00 0.46 0.00 0.00 57.72 58.35 1nx7 n HIS 39 Cb 0.09 -2.64 0.49 0.00 -0.12 0.00 0.00 29.99 27.81 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 7.34 0.42 -0.38 1.57 0.13 -1.91 0.12 132.00 139.29 1nx7 h PRO 40 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nx7 h PRO 40 Cb 1.24 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nx7 h PRO 40 CO 0.93 0.28 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 1nx7 n GLY 41 N -1.51 0.07 4.95 1.56 0.00 -1.26 -5.02 105.19 103.98 1nx7 n GLY 41 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 0.39 -1.63 0.11 -0.02 0.00 0.43 -4.55 105.19 99.93 1nx7 n GLY 42 Ca 0.02 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.85 1.61 4.11 -1.77 -3.40 114.58 114.41 1nx7 h GLU 43 Ca 0.01 -0.23 0.12 0.00 0.07 0.00 0.00 59.36 59.32 1nx7 h GLU 43 Cb 0.26 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.46 1nx7 h GLU 43 CO 0.00 1.11 -0.45 1.49 0.07 0.00 0.00 179.01 181.23 1nx7 h GLU 44 N -0.58 -0.07 -0.70 1.06 4.81 -1.89 0.13 114.58 117.34 1nx7 h GLU 44 Ca -0.31 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.98 1nx7 h GLU 44 Cb 1.56 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.90 1nx7 h GLU 44 CO -0.04 -0.05 0.40 -0.39 -0.73 0.00 0.00 179.01 178.20 1nx7 h VAL 45 N -0.08 0.99 -0.19 0.32 -1.51 -1.80 0.15 116.25 114.15 1nx7 h VAL 45 Ca 0.25 -0.26 -0.17 0.00 -1.23 0.00 0.00 66.70 65.29 1nx7 h VAL 45 Cb 0.54 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1nx7 h VAL 45 CO -0.87 0.14 -0.56 -0.07 -1.23 0.00 0.00 177.57 174.97 1nx7 h LEU 46 N 0.75 0.82 -0.31 4.19 3.38 -1.08 -0.65 115.31 122.41 1nx7 h LEU 46 Ca 0.31 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1nx7 h LEU 46 Cb 0.16 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1nx7 h LEU 46 CO -0.17 1.26 0.10 -0.09 0.09 0.00 0.00 178.44 179.63 1nx7 h ARG 47 N 0.41 0.23 -0.68 1.13 2.43 -0.54 0.14 114.38 117.50 1nx7 h ARG 47 Ca -0.02 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1nx7 h ARG 47 Cb 1.18 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.62 1nx7 h ARG 47 CO 0.12 0.15 0.36 0.93 -1.51 0.00 0.00 179.97 180.02 1nx7 h GLU 48 N 0.23 0.62 0.00 0.20 5.08 -0.37 -0.12 114.58 120.23 1nx7 h GLU 48 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nx7 h GLU 48 Cb 0.11 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nx7 h GLU 48 CO -0.15 0.41 0.00 1.04 -1.00 0.00 0.00 179.01 179.32 1nx7 n GLN 49 N -4.82 0.07 -1.72 2.33 1.13 -0.28 -4.92 117.38 109.18 1nx7 n GLN 49 Ca 0.09 0.13 -0.37 0.00 -1.94 0.00 0.00 57.00 54.91 1nx7 n GLN 49 Cb 0.21 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.12 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 -1.45 1.12 -1.83 -1.58 0.00 0.47 -2.56 120.51 114.69 1nx7 n ALA 50 Ca 0.06 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1nx7 n ALA 50 Cb 0.22 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 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 0.93 0.64 3.70 0.00 0.00 0.65 -4.83 105.19 106.29 1nx7 n GLY 51 Ca 0.14 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.61 -0.17 -0.35 -0.02 0.00 -1.06 -4.31 107.32 98.79 1nx7 s GLY 52 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 44.72 44.29 1nx7 s GLY 52 CO 0.00 -0.09 1.88 0.51 0.00 0.00 0.00 173.10 175.40 1nx7 s ASP 53 N -2.88 5.72 -0.44 1.64 -4.77 -1.26 -1.29 116.67 113.38 1nx7 s ASP 53 Ca 0.09 1.28 0.04 0.00 -3.30 0.00 0.00 52.55 50.67 1nx7 s ASP 53 Cb -0.04 -2.52 0.61 0.00 -1.09 0.00 0.00 42.92 39.88 1nx7 s ASP 53 CO 0.01 -1.85 1.84 0.00 0.70 0.00 0.00 175.17 175.88 1nx7 n ALA 54 N 10.91 5.46 0.02 2.11 0.00 0.70 -4.56 120.51 135.15 1nx7 n ALA 54 Ca 0.24 -3.02 -0.10 0.00 0.00 0.00 0.00 53.44 50.55 1nx7 n ALA 54 Cb 0.47 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 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 1.02 0.85 0.00 0.00 2.02 -1.41 0.78 112.91 116.18 1nx7 h THR 55 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.74 1nx7 h THR 55 Cb 2.43 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1nx7 h THR 55 CO 1.03 0.00 0.00 1.21 0.37 0.00 0.00 175.52 178.13 1nx7 n GLU 56 N -5.17 0.00 -0.11 6.66 2.13 -1.26 -0.59 120.64 122.29 1nx7 n GLU 56 Ca -0.05 0.68 -0.02 0.00 0.66 0.00 0.00 57.16 58.44 1nx7 n GLU 56 Cb 0.10 -1.11 0.23 0.00 0.27 0.00 0.00 31.44 30.93 1nx7 n GLU 56 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1nx7 h ASN 57 N 0.00 0.72 -0.10 4.31 2.35 -1.80 0.36 115.58 121.43 1nx7 h ASN 57 Ca 0.00 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1nx7 h ASN 57 Cb 0.00 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1nx7 h ASN 57 CO 0.00 0.68 -0.10 0.15 -1.65 0.00 0.00 177.43 176.52 1nx7 h PHE 58 N 0.77 -0.24 0.03 1.19 3.57 -0.57 -3.03 116.94 118.67 1nx7 h PHE 58 Ca 0.18 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1nx7 h PHE 58 Cb 0.22 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1nx7 h PHE 58 CO 0.01 -0.15 -0.31 0.93 -2.23 0.00 0.00 178.31 176.56 1nx7 h GLU 59 N -0.12 0.06 -0.57 1.11 4.39 0.29 -3.27 114.58 116.47 1nx7 h GLU 59 Ca 0.07 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1nx7 h GLU 59 Cb 0.22 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1nx7 h GLU 59 CO -0.17 1.05 0.35 0.22 -1.16 0.00 0.00 179.01 179.30 1nx7 h ASP 60 N -0.86 0.58 0.32 1.42 3.58 -0.46 0.09 116.42 121.10 1nx7 h ASP 60 Ca -0.07 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1nx7 h ASP 60 Cb 1.17 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 1nx7 h ASP 60 CO 0.01 0.41 -0.01 0.58 -2.88 0.00 0.00 179.24 177.35 1nx7 h VAL 61 N 0.70 0.06 -2.99 2.25 2.07 -1.69 -3.46 116.25 113.19 1nx7 h VAL 61 Ca 0.22 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 1nx7 h VAL 61 Cb -0.00 1.17 0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1nx7 h VAL 61 CO -0.09 0.01 -0.25 0.61 0.02 0.00 0.00 177.57 177.88 1nx7 n GLY 62 N -0.74 0.28 3.57 2.17 0.00 0.02 -4.98 105.19 105.51 1nx7 n GLY 62 Ca -0.02 -0.32 -0.48 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.54 1.16 -1.13 1.61 8.25 -1.23 -4.92 115.22 116.42 1nx7 n HIS 63 Ca -0.06 0.71 -0.34 0.00 -0.26 0.00 0.00 57.72 57.77 1nx7 n HIS 63 Cb 0.54 -2.25 0.12 0.00 1.12 0.00 0.00 29.99 29.53 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 1.78 0.68 -0.20 0.41 3.41 -1.26 -4.61 113.62 113.83 1nx7 n SER 64 Ca 0.14 0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 59.23 1nx7 n SER 64 Cb 0.27 -1.47 -0.08 0.00 -0.26 0.00 0.00 64.21 62.67 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 -0.83 0.00 -0.99 6.66 2.02 -1.99 0.19 112.91 117.97 1nx7 h THR 65 Ca -0.46 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.09 1nx7 h THR 65 Cb 1.30 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.54 1nx7 h THR 65 CO 0.45 0.00 0.42 0.44 0.37 0.00 0.00 175.52 177.20 1nx7 h ASP 66 N -0.18 0.15 -0.00 4.18 5.19 -1.98 0.13 116.42 123.90 1nx7 h ASP 66 Ca 0.09 0.26 -0.26 0.00 -0.62 0.00 0.00 57.03 56.49 1nx7 h ASP 66 Cb 0.40 0.31 0.02 0.00 0.18 0.00 0.00 39.33 40.24 1nx7 h ASP 66 CO -0.58 -0.38 -1.00 0.00 -3.12 0.00 0.00 179.24 174.15 1nx7 h ALA 67 N 1.98 0.13 -0.79 3.45 0.00 -1.08 0.34 119.26 123.28 1nx7 h ALA 67 Ca 0.77 -0.69 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nx7 h ALA 67 Cb 1.93 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 1nx7 h ALA 67 CO -0.79 0.66 0.52 -0.09 0.00 0.00 0.00 179.25 179.55 1nx7 h ARG 68 N 0.36 1.05 0.02 0.00 2.43 0.72 0.38 114.38 119.35 1nx7 h ARG 68 Ca -0.12 -0.07 -0.26 0.00 -0.81 0.00 0.00 59.98 58.72 1nx7 h ARG 68 Cb 1.66 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.94 1nx7 h ARG 68 CO 0.20 0.70 -1.39 0.93 -1.51 0.00 0.00 179.97 178.90 1nx7 h GLU 69 N 1.08 0.05 -0.15 0.20 4.39 -0.66 -3.27 114.58 116.23 1nx7 h GLU 69 Ca 0.29 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.92 1nx7 h GLU 69 Cb -0.12 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1nx7 h GLU 69 CO -0.06 0.82 0.04 1.25 -1.16 0.00 0.00 179.01 179.90 1nx7 h LEU 70 N 0.01 0.03 -1.65 1.33 5.85 -0.10 -3.07 115.31 117.71 1nx7 h LEU 70 Ca -0.17 0.02 0.39 0.00 0.84 0.00 0.00 57.88 58.96 1nx7 h LEU 70 Cb 1.92 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.88 1nx7 h LEU 70 CO 0.12 0.04 0.89 0.77 -0.34 0.00 0.00 178.44 179.92 1nx7 h SER 71 N 0.10 0.19 -0.99 1.25 4.64 -0.97 -0.10 113.55 117.68 1nx7 h SER 71 Ca 0.06 0.06 0.22 0.00 -0.47 0.00 0.00 61.79 61.67 1nx7 h SER 71 Cb 0.05 0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 62.09 1nx7 h SER 71 CO -0.08 -0.04 0.63 0.11 -0.87 0.00 0.00 176.83 176.59 1nx7 h LYS 72 N 0.12 0.51 0.00 4.77 1.79 -1.66 0.01 116.57 122.10 1nx7 h LYS 72 Ca 0.71 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 1nx7 h LYS 72 Cb 2.41 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.94 1nx7 h LYS 72 CO -0.21 0.34 0.00 1.79 -1.08 0.00 0.00 179.45 180.29 1nx7 h THR 73 N 0.52 0.00 -0.32 -0.16 1.35 -1.21 -1.71 112.91 111.38 1nx7 h THR 73 Ca 0.56 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 1nx7 h THR 73 Cb 1.21 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1nx7 h THR 73 CO -0.30 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.46 1nx7 n PHE 74 N -2.46 0.42 -2.39 4.73 3.72 -0.01 -4.96 117.46 116.51 1nx7 n PHE 74 Ca -0.02 -0.34 -0.43 0.00 -0.05 0.00 0.00 57.45 56.61 1nx7 n PHE 74 Cb 0.05 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.07 4.07 -0.13 4.37 1.01 -0.65 -0.66 121.20 128.15 1nx7 s ILE 75 Ca 0.26 1.19 0.19 0.00 0.00 0.00 0.00 60.65 62.29 1nx7 s ILE 75 Cb 0.15 -4.14 -0.27 0.00 0.01 0.00 0.00 42.46 38.20 1nx7 s ILE 75 CO 0.20 -0.52 0.21 2.30 0.00 0.00 0.00 174.94 177.14 1nx7 n ILE 76 N 6.38 0.84 -3.50 2.92 -5.35 -0.36 -4.94 119.36 115.36 1nx7 n ILE 76 Ca 0.15 -0.70 -0.05 0.00 -0.27 0.00 0.00 62.75 61.88 1nx7 n ILE 76 Cb 0.47 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 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 1.61 2.01 3.49 3.28 0.00 -1.16 -1.76 105.19 112.66 1nx7 n GLY 77 Ca -0.21 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.15 1.07 -0.13 1.61 2.12 -1.09 -0.54 118.70 119.58 1nx7 s GLU 78 Ca 0.09 -0.03 -0.32 0.00 0.36 0.00 0.00 54.97 55.06 1nx7 s GLU 78 Cb -0.01 0.50 -0.10 0.00 0.26 0.00 0.00 34.13 34.77 1nx7 s GLU 78 CO 0.06 -0.39 2.00 -0.11 -0.54 0.00 0.00 175.26 176.29 1nx7 n LEU 79 N 0.39 3.37 -3.64 2.70 7.94 0.74 -0.19 117.00 128.31 1nx7 n LEU 79 Ca -0.17 0.74 -0.46 0.00 -1.11 0.00 0.00 56.01 55.02 1nx7 n LEU 79 Cb 0.60 -1.42 -0.06 0.00 0.53 0.00 0.00 43.42 43.08 1nx7 n LEU 79 CO 0.18 -0.22 0.36 1.57 -1.11 0.00 0.00 177.39 178.17 1nx7 n HIS 80 N 8.18 0.31 0.00 1.96 -0.00 0.41 -4.67 115.22 121.41 1nx7 n HIS 80 Ca 0.26 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.83 1nx7 n HIS 80 Cb 0.33 -1.67 0.00 0.00 -0.00 0.00 0.00 29.99 28.65 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 1.13 0.00 0.00 1.57 -0.04 -1.26 -1.71 135.00 134.69 1nx7 n PRO 81 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1nx7 n PRO 81 Cb 0.10 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.29 0.71 -0.23 3.54 2.03 -1.26 -4.67 116.55 116.37 1nx7 n ASP 82 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1nx7 n ASP 82 Cb 0.00 0.04 0.19 0.00 -0.72 0.00 0.00 41.12 40.63 1nx7 n ASP 82 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1nx7 h ASP 83 N 0.00 0.92 0.00 1.67 5.19 -1.75 -3.53 116.42 118.92 1nx7 h ASP 83 Ca 0.00 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1nx7 h ASP 83 Cb 0.16 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1nx7 h ASP 83 CO 0.00 0.74 0.00 -2.11 -3.12 0.00 0.00 179.24 174.75