#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 1.93 -2.69 0.00 3.14 -1.26 -4.94 118.33 114.51 1nx7 n VAL 4 Ca 0.00 -0.48 -0.43 0.00 -2.96 0.00 0.00 64.34 60.47 1nx7 n VAL 4 Cb 0.00 -1.92 -0.02 0.00 -1.06 0.00 0.00 33.84 30.85 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 -1.96 3.78 -0.28 1.45 1.02 -1.26 -4.96 119.74 117.53 1nx7 s LYS 5 Ca 0.54 -1.70 -0.28 0.00 0.02 0.00 0.00 55.97 54.56 1nx7 s LYS 5 Cb -0.49 -5.29 -0.06 0.00 -0.52 0.00 0.00 37.83 31.47 1nx7 s LYS 5 CO 0.63 -2.08 2.27 0.66 -0.92 0.00 0.00 175.35 175.90 1nx7 n TYR 6 N 7.87 1.84 -4.85 3.18 4.01 -1.26 -2.24 117.16 125.71 1nx7 n TYR 6 Ca 0.37 -0.07 -0.33 0.00 -0.16 0.00 0.00 57.90 57.71 1nx7 n TYR 6 Cb 0.48 -2.71 -0.13 0.00 -0.31 0.00 0.00 39.34 36.68 1nx7 n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1nx7 s TYR 7 N 9.22 2.74 0.46 -0.72 2.02 0.20 -4.60 117.35 126.67 1nx7 s TYR 7 Ca 1.01 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 57.53 1nx7 s TYR 7 Cb -0.31 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 1nx7 s TYR 7 CO 0.33 0.20 0.73 -0.08 -1.57 0.00 0.00 175.55 175.16 1nx7 s THR 8 N -0.71 4.72 0.33 -0.71 -1.32 -1.26 -0.58 115.64 116.11 1nx7 s THR 8 Ca 0.11 -0.05 0.12 0.00 -1.21 0.00 0.00 61.69 60.66 1nx7 s THR 8 Cb -0.11 -3.78 0.35 0.00 -1.51 0.00 0.00 72.50 67.45 1nx7 s THR 8 CO 0.01 -0.69 1.62 -0.07 -2.21 0.00 0.00 174.62 173.28 1nx7 h LEU 9 N 0.32 0.18 -0.05 9.08 3.38 -1.97 0.10 115.31 126.35 1nx7 h LEU 9 Ca -0.47 0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1nx7 h LEU 9 Cb 1.22 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.19 1nx7 h LEU 9 CO 0.61 -0.27 -0.38 -0.08 0.09 0.00 0.00 178.44 178.41 1nx7 h GLU 10 N 0.15 -0.42 -0.84 1.13 4.57 -1.98 0.26 114.58 117.45 1nx7 h GLU 10 Ca 0.71 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 59.10 1nx7 h GLU 10 Cb 1.67 0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 30.20 1nx7 h GLU 10 CO -0.72 -0.28 -0.12 0.93 -1.18 0.00 0.00 179.01 177.64 1nx7 h GLU 11 N -0.44 0.03 -0.51 1.92 4.39 -1.37 0.12 114.58 118.72 1nx7 h GLU 11 Ca 0.02 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1nx7 h GLU 11 Cb 0.49 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1nx7 h GLU 11 CO -0.28 0.02 -0.14 0.82 -1.16 0.00 0.00 179.01 178.26 1nx7 h ILE 12 N 0.03 1.27 -0.54 3.13 5.03 -0.99 -3.27 117.51 122.17 1nx7 h ILE 12 Ca 0.43 -1.29 -0.04 0.00 -0.12 0.00 0.00 64.86 63.84 1nx7 h ILE 12 Cb 0.73 1.02 -0.03 0.00 -3.03 0.00 0.00 36.82 35.51 1nx7 h ILE 12 CO -0.82 0.45 0.16 -0.61 -0.68 0.00 0.00 178.15 176.65 1nx7 h GLN 13 N 0.87 0.81 0.00 2.37 4.15 0.22 0.36 115.11 123.89 1nx7 h GLN 13 Ca 0.13 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1nx7 h GLN 13 Cb 0.70 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1nx7 h GLN 13 CO 0.05 0.71 0.00 1.63 -1.93 0.00 0.00 178.83 179.30 1nx7 n LYS 14 N -4.29 0.25 -3.58 1.69 5.02 -0.88 -4.32 118.16 112.05 1nx7 n LYS 14 Ca 0.04 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 1nx7 n LYS 14 Cb 0.20 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.61 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 -2.19 1.94 0.00 2.13 3.76 0.13 -4.85 115.29 116.20 1nx7 s HIS 15 Ca 0.13 -2.65 0.00 0.00 -0.15 0.00 0.00 55.06 52.39 1nx7 s HIS 15 Cb 0.07 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1nx7 s HIS 15 CO 0.12 -0.73 0.00 0.27 -0.85 0.00 0.00 174.74 173.55 1nx7 n ASN 16 N 2.62 0.00 -4.93 1.40 0.23 0.13 -0.68 115.26 114.04 1nx7 n ASN 16 Ca 0.25 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 54.04 1nx7 n ASN 16 Cb 0.43 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.19 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 0.00 4.94 -0.23 0.53 -0.87 -1.14 -4.70 114.94 113.48 1nx7 s ASN 17 Ca 0.00 0.52 -0.29 0.00 -1.57 0.00 0.00 52.86 51.52 1nx7 s ASN 17 Cb 0.00 -1.22 -0.33 0.00 -0.02 0.00 0.00 41.25 39.68 1nx7 s ASN 17 CO 0.00 -1.52 1.69 -1.20 -2.57 0.00 0.00 177.10 173.50 1nx7 n SER 18 N -2.89 1.27 0.00 -1.22 7.64 -1.26 -0.78 113.62 116.39 1nx7 n SER 18 Ca 0.07 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.43 1nx7 n SER 18 Cb 0.60 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 7.89 0.00 -3.23 1.43 4.81 -1.26 -5.09 118.16 122.70 1nx7 n LYS 19 Ca 0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.88 1nx7 n LYS 19 Cb 0.42 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.44 1nx7 n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1nx7 s SER 20 N 0.00 -0.66 -0.53 3.14 0.01 0.04 -5.00 113.70 110.71 1nx7 s SER 20 Ca 0.00 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 56.81 1nx7 s SER 20 Cb 0.00 1.56 0.14 0.00 0.21 0.00 0.00 66.02 67.93 1nx7 s SER 20 CO 0.00 -0.29 0.38 -0.89 0.41 0.00 0.00 173.24 172.85 1nx7 s THR 21 N 2.39 4.04 0.17 1.44 2.01 -1.25 -0.69 115.64 123.75 1nx7 s THR 21 Ca 0.12 -2.19 0.04 0.00 0.31 0.00 0.00 61.69 59.97 1nx7 s THR 21 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1nx7 s THR 21 CO -0.21 -0.81 0.23 0.26 -0.69 0.00 0.00 174.62 173.40 1nx7 s TRP 22 N 0.86 3.33 0.29 4.92 0.52 0.14 -0.38 118.94 128.63 1nx7 s TRP 22 Ca 0.10 0.04 -0.20 0.00 0.02 0.00 0.00 56.10 56.05 1nx7 s TRP 22 Cb -0.23 -1.58 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 1nx7 s TRP 22 CO -0.03 0.51 0.73 -0.48 0.02 0.00 0.00 176.95 177.70 1nx7 s LEU 23 N -3.33 -0.22 -0.15 2.99 0.05 -0.82 -0.09 118.68 117.12 1nx7 s LEU 23 Ca 0.33 -0.67 0.02 0.00 0.05 0.00 0.00 54.13 53.85 1nx7 s LEU 23 Cb -0.10 2.73 0.02 0.00 -2.05 0.00 0.00 46.19 46.79 1nx7 s LEU 23 CO 0.26 -1.39 -0.19 -0.63 -0.55 0.00 0.00 176.35 173.86 1nx7 s ILE 24 N -3.74 1.86 -0.49 1.48 1.01 -0.50 -0.46 121.20 120.36 1nx7 s ILE 24 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.96 1nx7 s ILE 24 Cb -0.06 -1.68 0.13 0.00 0.01 0.00 0.00 42.46 40.86 1nx7 s ILE 24 CO 0.08 0.51 0.24 -0.76 0.00 0.00 0.00 174.94 175.00 1nx7 s LEU 25 N 1.10 4.12 -0.72 2.97 1.02 0.33 -0.17 118.68 127.32 1nx7 s LEU 25 Ca -0.02 -2.87 -0.01 0.00 0.02 0.00 0.00 54.13 51.25 1nx7 s LEU 25 Cb -0.14 -1.55 0.00 0.00 0.02 0.00 0.00 46.19 44.52 1nx7 s LEU 25 CO -0.06 -0.25 0.69 1.41 0.02 0.00 0.00 176.35 178.16 1nx7 n HIS 26 N 3.28 -2.98 0.00 0.29 8.25 -1.26 -3.43 115.22 119.36 1nx7 n HIS 26 Ca 0.05 1.14 0.00 0.00 -0.26 0.00 0.00 57.72 58.65 1nx7 n HIS 26 Cb 0.33 -4.10 0.00 0.00 1.12 0.00 0.00 29.99 27.35 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 -1.70 0.00 -2.99 4.41 9.36 -1.26 -4.94 117.16 120.03 1nx7 n TYR 27 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 1nx7 n TYR 27 Cb 0.50 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.15 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 4.47 -0.20 2.98 1.02 -1.22 0.04 119.74 126.83 1nx7 s LYS 28 Ca 0.00 1.09 -0.07 0.00 0.02 0.00 0.00 55.97 57.01 1nx7 s LYS 28 Cb 0.00 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1nx7 s LYS 28 CO 0.00 0.48 0.05 0.08 -0.92 0.00 0.00 175.35 175.04 1nx7 s VAL 29 N -1.33 4.53 -0.21 3.17 1.01 0.67 -0.52 120.40 127.72 1nx7 s VAL 29 Ca 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 1nx7 s VAL 29 Cb -0.20 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1nx7 s VAL 29 CO 0.24 0.43 -0.04 -0.31 0.00 0.00 0.00 175.10 175.42 1nx7 s TYR 30 N 0.70 2.96 -0.51 5.22 1.51 0.39 -1.53 117.35 126.08 1nx7 s TYR 30 Ca 0.03 -0.87 -0.28 0.00 -1.01 0.00 0.00 57.07 54.93 1nx7 s TYR 30 Cb -0.13 -2.09 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1nx7 s TYR 30 CO 0.02 -0.50 1.29 0.34 -1.11 0.00 0.00 175.55 175.60 1nx7 s ASP 31 N 1.36 6.38 -0.77 2.29 -1.08 -0.13 -1.94 116.67 122.78 1nx7 s ASP 31 Ca 0.04 0.42 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 1nx7 s ASP 31 Cb -0.14 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.13 1nx7 s ASP 31 CO -0.02 -1.48 1.70 0.18 0.52 0.00 0.00 175.17 176.07 1nx7 n LEU 32 N 8.71 6.62 -0.06 -1.34 4.77 0.49 -4.75 117.00 131.45 1nx7 n LEU 32 Ca 0.12 -5.09 -0.16 0.00 -0.03 0.00 0.00 56.01 50.86 1nx7 n LEU 32 Cb 0.49 -0.91 -0.13 0.00 -2.33 0.00 0.00 43.42 40.54 1nx7 n LEU 32 CO 0.71 1.97 0.22 0.74 -1.33 0.00 0.00 177.39 179.70 1nx7 h THR 33 N 2.25 1.64 0.01 -5.08 2.02 -1.89 -3.31 112.91 108.55 1nx7 h THR 33 Ca 0.47 -2.36 -0.19 0.00 0.77 0.00 0.00 66.41 65.10 1nx7 h THR 33 Cb 0.32 3.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.93 1nx7 h THR 33 CO 1.21 0.59 -0.88 0.07 0.37 0.00 0.00 175.52 176.88 1nx7 h LYS 34 N -0.90 0.07 0.00 6.66 2.10 -1.93 -3.35 116.57 119.22 1nx7 h LYS 34 Ca -0.07 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.48 1nx7 h LYS 34 Cb 1.14 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1nx7 h LYS 34 CO -0.00 0.91 -0.05 0.35 -2.00 0.00 0.00 179.45 178.66 1nx7 h PHE 35 N 0.04 0.00 -0.79 0.07 3.57 -1.86 -2.93 116.94 115.03 1nx7 h PHE 35 Ca -0.03 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.59 1nx7 h PHE 35 Cb 1.54 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 40.16 1nx7 h PHE 35 CO 0.01 0.05 -0.33 1.28 -2.23 0.00 0.00 178.31 177.09 1nx7 n LEU 36 N -3.22 -0.56 0.07 0.59 4.77 -1.24 -0.47 117.00 116.93 1nx7 n LEU 36 Ca -0.01 1.38 -0.21 0.00 -0.03 0.00 0.00 56.01 57.14 1nx7 n LEU 36 Cb 0.25 -0.30 -0.12 0.00 -2.33 0.00 0.00 43.42 40.92 1nx7 n LEU 36 CO 0.27 -1.23 0.01 -0.33 -1.33 0.00 0.00 177.39 174.78 1nx7 h GLU 37 N 0.00 0.60 -0.74 3.23 5.08 -1.82 -2.44 114.58 118.50 1nx7 h GLU 37 Ca 0.25 -0.75 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 1nx7 h GLU 37 Cb 0.45 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1nx7 h GLU 37 CO -0.78 1.33 0.24 0.93 -1.00 0.00 0.00 179.01 179.73 1nx7 h GLU 38 N 0.22 1.13 -6.52 2.33 5.08 -1.42 -3.46 114.58 111.94 1nx7 h GLU 38 Ca -0.16 -0.23 -0.54 0.00 -1.00 0.00 0.00 59.36 57.43 1nx7 h GLU 38 Cb 1.78 -0.17 0.04 0.00 0.50 0.00 0.00 28.75 30.90 1nx7 h GLU 38 CO 0.21 0.96 1.08 1.58 -1.00 0.00 0.00 179.01 181.83 1nx7 n HIS 39 N -4.26 2.61 -0.22 4.33 -0.00 0.38 -4.91 115.22 113.15 1nx7 n HIS 39 Ca 0.06 -0.09 0.22 0.00 0.46 0.00 0.00 57.72 58.37 1nx7 n HIS 39 Cb 0.22 -2.71 0.57 0.00 -0.12 0.00 0.00 29.99 27.96 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 8.14 0.28 -0.61 1.57 0.13 -1.91 0.12 132.00 139.73 1nx7 h PRO 40 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nx7 h PRO 40 Cb 1.22 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1nx7 h PRO 40 CO 0.95 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 1nx7 n GLY 41 N -1.57 1.31 5.17 1.56 0.00 -1.26 -5.05 105.19 105.35 1nx7 n GLY 41 Ca 0.19 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 0.51 -1.48 0.13 -0.02 0.00 0.43 -4.56 105.19 100.20 1nx7 n GLY 42 Ca 0.10 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 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 0.29 -0.86 1.61 -0.00 -1.73 -3.41 114.58 110.48 1nx7 h GLU 43 Ca 0.01 -0.50 0.08 0.00 -0.00 0.00 0.00 59.36 58.94 1nx7 h GLU 43 Cb 0.30 0.19 -0.10 0.00 -0.00 0.00 0.00 28.75 29.13 1nx7 h GLU 43 CO 0.00 1.24 -0.51 -1.91 -0.00 0.00 0.00 179.01 177.83 1nx7 n GLU 44 N -3.89 -0.38 -0.29 1.06 2.13 -1.26 -0.18 120.64 117.83 1nx7 n GLU 44 Ca -0.23 1.30 -0.01 0.00 0.66 0.00 0.00 57.16 58.88 1nx7 n GLU 44 Cb 0.93 -1.91 0.11 0.00 0.27 0.00 0.00 31.44 30.83 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 1.08 -0.01 6.31 -1.51 -1.80 0.59 116.25 120.91 1nx7 h VAL 45 Ca 0.14 -0.33 -0.12 0.00 -1.23 0.00 0.00 66.70 65.17 1nx7 h VAL 45 Cb 0.35 0.05 0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1nx7 h VAL 45 CO -0.81 0.17 -0.44 -0.07 -1.23 0.00 0.00 177.57 175.19 1nx7 h LEU 46 N 0.95 0.41 -0.86 4.19 3.38 -0.80 -0.77 115.31 121.81 1nx7 h LEU 46 Ca 0.33 -0.75 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1nx7 h LEU 46 Cb 0.07 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1nx7 h LEU 46 CO -0.14 1.11 0.52 -0.09 0.09 0.00 0.00 178.44 179.93 1nx7 h ARG 47 N -0.24 0.86 -0.01 1.13 2.43 -0.53 0.46 114.38 118.48 1nx7 h ARG 47 Ca -0.05 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 1nx7 h ARG 47 Cb 1.16 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1nx7 h ARG 47 CO 0.09 0.57 -0.68 0.93 -1.51 0.00 0.00 179.97 179.37 1nx7 h GLU 48 N 0.89 0.07 0.00 0.20 5.08 -0.82 -2.71 114.58 117.28 1nx7 h GLU 48 Ca 0.40 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1nx7 h GLU 48 Cb 0.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1nx7 h GLU 48 CO -0.22 0.72 -0.48 1.96 -1.00 0.00 0.00 179.01 179.99 1nx7 h GLN 49 N 0.05 0.00 -6.08 2.33 1.08 -0.42 -3.48 115.11 108.59 1nx7 h GLN 49 Ca -0.01 0.00 -0.78 0.00 -1.45 0.00 0.00 58.65 56.41 1nx7 h GLN 49 Cb 1.20 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.67 1nx7 h GLN 49 CO 0.09 0.48 0.40 0.00 -0.95 0.00 0.00 178.83 178.86 1nx7 n ALA 50 N -2.33 -2.07 -2.51 3.87 0.00 0.16 -2.02 120.51 115.61 1nx7 n ALA 50 Ca -0.00 0.53 -0.03 0.00 0.00 0.00 0.00 53.44 53.93 1nx7 n ALA 50 Cb 0.57 -1.93 0.01 0.00 0.00 0.00 0.00 19.45 18.10 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 2.63 0.57 3.62 0.00 0.00 0.88 -4.70 105.19 108.19 1nx7 n GLY 51 Ca 0.23 -0.48 -0.01 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 -3.11 -0.36 -0.13 -0.02 0.00 -0.86 -4.30 107.32 98.55 1nx7 s GLY 52 Ca 0.06 0.93 -0.29 0.00 0.00 0.00 0.00 44.72 45.42 1nx7 s GLY 52 CO 0.11 0.25 1.93 0.51 0.00 0.00 0.00 173.10 175.91 1nx7 s ASP 53 N -2.70 6.11 -0.18 1.64 -4.77 -1.26 -1.41 116.67 114.10 1nx7 s ASP 53 Ca 0.12 2.09 0.17 0.00 -3.30 0.00 0.00 52.55 51.63 1nx7 s ASP 53 Cb 0.02 -2.52 0.55 0.00 -1.09 0.00 0.00 42.92 39.87 1nx7 s ASP 53 CO -0.04 -1.41 1.44 0.00 0.70 0.00 0.00 175.17 175.87 1nx7 n ALA 54 N 9.14 3.05 -0.14 2.11 0.00 0.72 -4.61 120.51 130.78 1nx7 n ALA 54 Ca 0.23 -2.29 -0.05 0.00 0.00 0.00 0.00 53.44 51.33 1nx7 n ALA 54 Cb 0.44 -0.74 0.02 0.00 0.00 0.00 0.00 19.45 19.16 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 1.94 0.36 -0.26 0.00 2.02 -0.90 0.12 112.91 116.19 1nx7 h THR 55 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1nx7 h THR 55 Cb 1.48 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 1nx7 h THR 55 CO 0.24 0.00 -0.24 -0.08 0.37 0.00 0.00 175.52 175.80 1nx7 h GLU 56 N -0.13 -0.11 -0.36 6.66 4.81 -1.86 0.21 114.58 123.81 1nx7 h GLU 56 Ca 0.21 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 1nx7 h GLU 56 Cb 0.46 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 1nx7 h GLU 56 CO -0.53 -0.07 -0.13 -0.91 -0.73 0.00 0.00 179.01 176.64 1nx7 h ASN 57 N -0.11 -0.45 -0.74 1.04 -0.26 -1.72 0.31 115.58 113.65 1nx7 h ASN 57 Ca 0.04 0.12 0.07 0.00 -0.56 0.00 0.00 56.30 55.97 1nx7 h ASN 57 Cb 0.23 0.27 -0.06 0.00 -1.06 0.00 0.00 38.32 37.70 1nx7 h ASN 57 CO -0.31 -0.16 0.42 0.15 -1.06 0.00 0.00 177.43 176.47 1nx7 h PHE 58 N -0.05 0.77 0.00 1.19 3.57 -0.18 -2.18 116.94 120.06 1nx7 h PHE 58 Ca 0.18 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.51 1nx7 h PHE 58 Cb 0.32 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1nx7 h PHE 58 CO -0.36 0.36 -1.43 0.93 -2.23 0.00 0.00 178.31 175.59 1nx7 h GLU 59 N 0.76 0.00 0.14 1.11 4.39 -0.18 -0.54 114.58 120.25 1nx7 h GLU 59 Ca 0.33 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 1nx7 h GLU 59 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1nx7 h GLU 59 CO -0.19 0.34 -0.07 0.22 -1.16 0.00 0.00 179.01 178.15 1nx7 h ASP 60 N 0.00 -0.15 -0.30 1.42 3.58 -0.44 -2.68 116.42 117.84 1nx7 h ASP 60 Ca -0.18 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1nx7 h ASP 60 Cb 1.66 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.73 1nx7 h ASP 60 CO 0.05 0.22 0.19 0.58 -2.88 0.00 0.00 179.24 177.41 1nx7 h VAL 61 N -0.55 1.09 -2.07 2.25 2.07 -1.48 -3.47 116.25 114.08 1nx7 h VAL 61 Ca -0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1nx7 h VAL 61 Cb 0.43 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1nx7 h VAL 61 CO 0.03 0.09 -0.03 0.61 0.02 0.00 0.00 177.57 178.28 1nx7 n GLY 62 N -1.46 0.45 3.67 2.17 0.00 -0.28 -4.94 105.19 104.80 1nx7 n GLY 62 Ca 0.02 -0.47 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.28 2.20 -0.73 1.61 8.25 -0.77 -4.92 115.22 119.58 1nx7 n HIS 63 Ca -0.01 0.42 -0.32 0.00 -0.26 0.00 0.00 57.72 57.55 1nx7 n HIS 63 Cb 0.51 -2.47 0.16 0.00 1.12 0.00 0.00 29.99 29.30 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 2.21 -0.02 -0.09 0.41 7.64 -1.26 -4.53 113.62 117.97 1nx7 n SER 64 Ca 0.12 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.29 1nx7 n SER 64 Cb 0.32 -1.43 -0.09 0.00 -1.01 0.00 0.00 64.21 61.99 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 -1.76 0.00 -0.96 0.44 2.02 -1.99 0.19 112.91 110.84 1nx7 h THR 65 Ca -0.43 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.04 1nx7 h THR 65 Cb 1.27 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.51 1nx7 h THR 65 CO 0.40 0.00 0.17 0.44 0.37 0.00 0.00 175.52 176.90 1nx7 h ASP 66 N -0.39 -0.22 -0.18 4.18 5.19 -1.98 0.07 116.42 123.08 1nx7 h ASP 66 Ca 0.05 0.26 -0.19 0.00 -0.62 0.00 0.00 57.03 56.53 1nx7 h ASP 66 Cb 0.54 0.40 0.00 0.00 0.18 0.00 0.00 39.33 40.45 1nx7 h ASP 66 CO -0.48 -0.32 -0.62 0.00 -3.12 0.00 0.00 179.24 174.70 1nx7 h ALA 67 N 1.94 0.46 -0.14 3.45 0.00 -1.14 0.21 119.26 124.05 1nx7 h ALA 67 Ca 0.63 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1nx7 h ALA 67 Cb 1.39 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1nx7 h ALA 67 CO -0.83 0.69 -0.22 -0.09 0.00 0.00 0.00 179.25 178.80 1nx7 h ARG 68 N 0.59 -0.26 -0.07 0.00 2.43 0.76 0.84 114.38 118.67 1nx7 h ARG 68 Ca -0.01 0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 1nx7 h ARG 68 Cb 1.22 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1nx7 h ARG 68 CO 0.13 -0.17 -0.72 0.93 -1.51 0.00 0.00 179.97 178.63 1nx7 h GLU 69 N -0.27 0.34 -0.23 0.20 4.39 -0.74 -2.24 114.58 116.03 1nx7 h GLU 69 Ca 0.10 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.56 1nx7 h GLU 69 Cb 0.42 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1nx7 h GLU 69 CO -0.30 0.92 0.04 1.25 -1.16 0.00 0.00 179.01 179.76 1nx7 h LEU 70 N 0.23 -0.01 -1.24 1.33 5.85 -0.44 -2.88 115.31 118.15 1nx7 h LEU 70 Ca -0.03 0.04 0.26 0.00 0.84 0.00 0.00 57.88 59.00 1nx7 h LEU 70 Cb 1.29 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.27 1nx7 h LEU 70 CO 0.12 0.03 0.65 0.28 -0.34 0.00 0.00 178.44 179.17 1nx7 h SER 71 N 0.12 0.52 -0.97 1.25 0.02 -0.21 -0.80 113.55 113.49 1nx7 h SER 71 Ca 0.11 0.10 0.22 0.00 -0.84 0.00 0.00 61.79 61.37 1nx7 h SER 71 Cb 0.11 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.59 1nx7 h SER 71 CO -0.15 0.09 0.62 0.11 -1.14 0.00 0.00 176.83 176.36 1nx7 h LYS 72 N 0.45 0.49 0.00 3.45 1.79 -1.39 0.38 116.57 121.75 1nx7 h LYS 72 Ca 0.62 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 1nx7 h LYS 72 Cb 1.44 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1nx7 h LYS 72 CO -0.36 0.32 0.00 0.25 -1.08 0.00 0.00 179.45 178.59 1nx7 n THR 73 N -4.60 1.21 0.16 -0.16 -2.24 -0.30 -2.04 114.28 106.30 1nx7 n THR 73 Ca 0.22 0.44 0.07 0.00 -2.27 0.00 0.00 64.05 62.51 1nx7 n THR 73 Cb 0.71 -1.37 0.12 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.90 0.28 -2.14 4.78 3.72 0.12 -5.00 117.46 117.32 1nx7 n PHE 74 Ca 0.01 -0.26 -0.41 0.00 -0.05 0.00 0.00 57.45 56.74 1nx7 n PHE 74 Cb 0.11 -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 -1.05 3.05 -0.05 4.37 1.01 -0.87 -0.95 121.20 126.71 1nx7 s ILE 75 Ca 0.22 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.76 1nx7 s ILE 75 Cb 0.13 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 1nx7 s ILE 75 CO 0.18 0.12 0.01 2.30 0.00 0.00 0.00 174.94 177.54 1nx7 n ILE 76 N 2.81 0.35 -2.99 2.92 -5.35 -0.58 -4.88 119.36 111.64 1nx7 n ILE 76 Ca 0.07 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1nx7 n ILE 76 Cb 0.42 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 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 2.74 1.07 3.71 3.28 0.00 -1.23 -4.12 105.19 110.64 1nx7 n GLY 77 Ca -0.09 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 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 0.45 1.43 -0.13 1.61 2.02 -0.95 -0.24 118.70 122.89 1nx7 s GLU 78 Ca 0.00 -0.73 -0.34 0.00 0.02 0.00 0.00 54.97 53.92 1nx7 s GLU 78 Cb 0.00 0.53 -0.12 0.00 0.10 0.00 0.00 34.13 34.64 1nx7 s GLU 78 CO 0.00 -0.65 1.91 -0.11 0.02 0.00 0.00 175.26 176.44 1nx7 n LEU 79 N -0.42 3.26 -4.56 1.80 7.94 0.11 0.60 117.00 125.73 1nx7 n LEU 79 Ca -0.08 0.90 -0.54 0.00 -1.11 0.00 0.00 56.01 55.19 1nx7 n LEU 79 Cb 0.61 -1.35 -0.06 0.00 0.53 0.00 0.00 43.42 43.14 1nx7 n LEU 79 CO 0.14 -0.16 0.79 1.57 -1.11 0.00 0.00 177.39 178.61 1nx7 n HIS 80 N 7.05 1.23 0.32 1.96 -0.00 0.25 -4.73 115.22 121.31 1nx7 n HIS 80 Ca 0.25 0.76 0.02 0.00 -0.00 0.00 0.00 57.72 58.75 1nx7 n HIS 80 Cb 0.28 -2.26 0.14 0.00 -0.00 0.00 0.00 29.99 28.16 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 2.17 0.16 -0.08 1.57 -0.04 -1.26 -0.80 135.00 136.72 1nx7 n PRO 81 Ca 0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1nx7 n PRO 81 Cb 0.16 -1.46 -0.12 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.96 1.25 0.09 3.54 2.03 -1.26 -4.63 116.55 116.62 1nx7 n ASP 82 Ca 0.04 -0.01 -0.10 0.00 0.52 0.00 0.00 54.79 55.24 1nx7 n ASP 82 Cb 0.02 0.82 -0.07 0.00 -0.72 0.00 0.00 41.12 41.17 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 -0.27 0.00 1.67 3.58 -1.32 -3.53 116.42 116.55 1nx7 h ASP 83 Ca -0.42 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 56.79 1nx7 h ASP 83 Cb 1.94 0.07 0.00 0.00 1.72 0.00 0.00 39.33 43.06 1nx7 h ASP 83 CO 0.02 0.24 0.00 0.54 -2.88 0.00 0.00 179.24 177.16