#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 3.62 -3.79 0.00 3.14 -1.26 -5.00 118.33 115.04 1nx7 n VAL 4 Ca 0.00 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 1nx7 n VAL 4 Cb 0.00 -1.71 -0.12 0.00 -1.06 0.00 0.00 33.84 30.95 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 -2.79 2.15 -0.19 1.45 1.02 -1.26 -5.01 119.74 115.10 1nx7 s LYS 5 Ca 0.69 -1.67 -0.29 0.00 0.02 0.00 0.00 55.97 54.73 1nx7 s LYS 5 Cb -0.42 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 1nx7 s LYS 5 CO 0.51 -0.97 1.77 0.71 -0.92 0.00 0.00 175.35 176.45 1nx7 s TYR 6 N 1.19 1.82 -0.09 3.18 2.02 -1.26 -2.84 117.35 121.38 1nx7 s TYR 6 Ca 0.05 0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 57.15 1nx7 s TYR 6 Cb -0.22 -4.02 -0.03 0.00 -0.40 0.00 0.00 41.96 37.29 1nx7 s TYR 6 CO -0.03 -3.48 -0.05 0.71 -1.57 0.00 0.00 175.55 171.13 1nx7 s TYR 7 N 5.70 2.99 0.53 2.71 2.02 0.16 -4.65 117.35 126.80 1nx7 s TYR 7 Ca 0.79 -0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 57.39 1nx7 s TYR 7 Cb -0.28 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1nx7 s TYR 7 CO 0.32 0.25 0.83 -0.08 -1.57 0.00 0.00 175.55 175.31 1nx7 s THR 8 N -0.52 4.33 0.26 -0.71 -1.32 -1.26 -0.37 115.64 116.05 1nx7 s THR 8 Ca 0.08 0.09 0.05 0.00 -1.21 0.00 0.00 61.69 60.70 1nx7 s THR 8 Cb -0.12 -3.67 0.33 0.00 -1.51 0.00 0.00 72.50 67.53 1nx7 s THR 8 CO 0.02 -0.67 1.27 0.18 -2.21 0.00 0.00 174.62 173.21 1nx7 n LEU 9 N -2.40 -0.02 -0.12 9.08 4.77 -1.26 -0.10 117.00 126.96 1nx7 n LEU 9 Ca 0.02 1.36 -0.12 0.00 -0.03 0.00 0.00 56.01 57.25 1nx7 n LEU 9 Cb 0.56 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1nx7 n LEU 9 CO 0.53 -1.41 0.54 -0.08 -1.33 0.00 0.00 177.39 175.64 1nx7 h GLU 10 N 0.00 -0.36 -0.85 3.23 4.57 -1.96 0.14 114.58 119.34 1nx7 h GLU 10 Ca 0.53 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.95 1nx7 h GLU 10 Cb 1.16 0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 29.70 1nx7 h GLU 10 CO -0.73 -0.24 0.18 0.93 -1.18 0.00 0.00 179.01 177.97 1nx7 h GLU 11 N -0.38 0.19 -0.41 1.92 3.07 -0.85 0.31 114.58 118.42 1nx7 h GLU 11 Ca 0.11 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.85 1nx7 h GLU 11 Cb 0.60 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 1nx7 h GLU 11 CO -0.57 0.12 -0.18 0.82 -1.40 0.00 0.00 179.01 177.81 1nx7 h ILE 12 N 0.19 1.27 -1.00 3.13 5.03 -1.32 -3.21 117.51 121.59 1nx7 h ILE 12 Ca 0.51 -1.27 0.01 0.00 -0.12 0.00 0.00 64.86 64.00 1nx7 h ILE 12 Cb 1.00 1.14 -0.05 0.00 -3.03 0.00 0.00 36.82 35.88 1nx7 h ILE 12 CO -0.65 0.43 0.66 -0.61 -0.68 0.00 0.00 178.15 177.30 1nx7 h GLN 13 N 0.70 1.31 0.00 2.37 4.15 0.16 0.28 115.11 124.08 1nx7 h GLN 13 Ca 0.11 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1nx7 h GLN 13 Cb 0.68 -0.30 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1nx7 h GLN 13 CO 0.05 0.87 0.00 1.63 -1.93 0.00 0.00 178.83 179.45 1nx7 n LYS 14 N -4.39 0.10 -3.51 1.69 5.02 -0.36 -4.28 118.16 112.43 1nx7 n LYS 14 Ca 0.12 0.21 -0.27 0.00 -2.02 0.00 0.00 58.31 56.35 1nx7 n LYS 14 Cb 0.02 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.43 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 -1.39 0.41 -2.78 2.13 8.25 0.99 -4.92 115.22 117.91 1nx7 n HIS 15 Ca 0.05 -3.63 -0.01 0.00 -0.26 0.00 0.00 57.72 53.88 1nx7 n HIS 15 Cb 0.14 -0.06 0.08 0.00 1.12 0.00 0.00 29.99 31.26 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 2.39 0.58 -3.91 0.41 6.94 0.19 -0.60 115.26 121.26 1nx7 n ASN 16 Ca 0.27 -2.08 -0.09 0.00 -0.02 0.00 0.00 54.58 52.65 1nx7 n ASN 16 Cb 0.45 -0.10 -0.05 0.00 -2.36 0.00 0.00 39.78 37.71 1nx7 n ASN 16 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1nx7 s ASN 17 N -2.93 -0.11 -0.92 0.53 2.20 0.25 -4.84 114.94 109.11 1nx7 s ASN 17 Ca 0.21 -0.78 -0.22 0.00 -0.94 0.00 0.00 52.86 51.13 1nx7 s ASN 17 Cb 0.36 0.55 -0.13 0.00 -2.00 0.00 0.00 41.25 40.03 1nx7 s ASN 17 CO -0.07 -1.06 1.92 -0.24 -2.94 0.00 0.00 177.10 174.72 1nx7 n SER 18 N -0.33 2.76 0.00 3.54 2.88 -1.26 -0.75 113.62 120.45 1nx7 n SER 18 Ca -0.05 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 1nx7 n SER 18 Cb 0.62 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1nx7 n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1nx7 n LYS 19 N 7.50 0.00 -3.26 -1.46 4.81 -1.26 -5.08 118.16 119.41 1nx7 n LYS 19 Ca 0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.87 1nx7 n LYS 19 Cb 0.43 0.00 -0.04 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 -0.24 -0.53 3.14 0.01 0.07 -5.01 113.70 111.13 1nx7 s SER 20 Ca 0.00 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.09 1nx7 s SER 20 Cb 0.00 1.40 0.14 0.00 0.21 0.00 0.00 66.02 67.76 1nx7 s SER 20 CO 0.00 -0.34 0.31 -0.89 0.41 0.00 0.00 173.24 172.73 1nx7 s THR 21 N 2.63 3.07 0.11 1.44 2.01 -1.20 -0.59 115.64 123.12 1nx7 s THR 21 Ca 0.10 -2.97 0.03 0.00 0.31 0.00 0.00 61.69 59.16 1nx7 s THR 21 Cb -0.12 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1nx7 s THR 21 CO -0.28 -0.80 0.12 0.26 -0.69 0.00 0.00 174.62 173.23 1nx7 s TRP 22 N 0.04 3.23 0.27 4.92 0.52 0.23 -1.38 118.94 126.78 1nx7 s TRP 22 Ca 0.16 0.07 -0.17 0.00 0.02 0.00 0.00 56.10 56.17 1nx7 s TRP 22 Cb -0.23 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1nx7 s TRP 22 CO -0.03 0.53 0.62 -0.48 0.02 0.00 0.00 176.95 177.62 1nx7 s LEU 23 N -2.69 -0.00 -0.16 2.99 0.05 -0.90 -0.38 118.68 117.58 1nx7 s LEU 23 Ca 0.31 -0.77 0.01 0.00 0.05 0.00 0.00 54.13 53.72 1nx7 s LEU 23 Cb -0.11 2.34 0.01 0.00 -2.05 0.00 0.00 46.19 46.37 1nx7 s LEU 23 CO 0.23 -1.28 -0.18 -0.63 -0.55 0.00 0.00 176.35 173.94 1nx7 s ILE 24 N -3.87 2.33 -0.58 1.48 1.01 -0.55 -0.52 121.20 120.48 1nx7 s ILE 24 Ca 0.16 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.98 1nx7 s ILE 24 Cb -0.04 -1.97 0.16 0.00 0.01 0.00 0.00 42.46 40.62 1nx7 s ILE 24 CO 0.08 0.53 0.39 -0.76 0.00 0.00 0.00 174.94 175.18 1nx7 s LEU 25 N 1.00 3.82 -0.31 2.97 1.02 0.17 0.05 118.68 127.40 1nx7 s LEU 25 Ca -0.02 -3.39 -0.00 0.00 0.02 0.00 0.00 54.13 50.73 1nx7 s LEU 25 Cb -0.15 -1.34 -0.00 0.00 0.02 0.00 0.00 46.19 44.73 1nx7 s LEU 25 CO -0.05 -0.15 0.29 1.41 0.02 0.00 0.00 176.35 177.88 1nx7 n HIS 26 N 2.55 -1.23 0.00 0.29 8.25 -1.26 -3.93 115.22 119.89 1nx7 n HIS 26 Ca 0.17 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1nx7 n HIS 26 Cb 0.37 -2.61 0.00 0.00 1.12 0.00 0.00 29.99 28.87 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 -1.35 0.00 -3.17 4.41 4.19 -1.26 -4.92 117.16 115.05 1nx7 n TYR 27 Ca -0.00 0.00 -0.33 0.00 3.31 0.00 0.00 57.90 60.88 1nx7 n TYR 27 Cb 0.50 -0.01 -0.06 0.00 0.49 0.00 0.00 39.34 40.26 1nx7 n TYR 27 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1nx7 s LYS 28 N 0.00 4.03 -0.18 2.98 1.02 -1.25 0.14 119.74 126.49 1nx7 s LYS 28 Ca 0.00 0.66 -0.06 0.00 0.02 0.00 0.00 55.97 56.59 1nx7 s LYS 28 Cb 0.00 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1nx7 s LYS 28 CO 0.00 0.24 0.02 0.08 -0.92 0.00 0.00 175.35 174.77 1nx7 s VAL 29 N -1.84 4.33 -0.23 3.17 1.01 0.23 -0.65 120.40 126.42 1nx7 s VAL 29 Ca 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1nx7 s VAL 29 Cb -0.12 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1nx7 s VAL 29 CO 0.19 0.46 -0.08 -0.31 0.00 0.00 0.00 175.10 175.36 1nx7 s TYR 30 N 0.53 2.98 -0.50 5.22 1.51 0.32 -1.20 117.35 126.20 1nx7 s TYR 30 Ca 0.00 -1.34 -0.29 0.00 -1.01 0.00 0.00 57.07 54.44 1nx7 s TYR 30 Cb -0.13 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1nx7 s TYR 30 CO 0.02 -0.68 1.20 0.34 -1.11 0.00 0.00 175.55 175.32 1nx7 s ASP 31 N 1.38 6.52 -0.12 2.29 -1.08 -0.07 -2.13 116.67 123.46 1nx7 s ASP 31 Ca 0.03 0.40 0.17 0.00 -0.52 0.00 0.00 52.55 52.64 1nx7 s ASP 31 Cb -0.15 -2.55 0.71 0.00 -1.46 0.00 0.00 42.92 39.47 1nx7 s ASP 31 CO -0.05 -1.36 1.61 0.18 0.52 0.00 0.00 175.17 176.07 1nx7 n LEU 32 N 8.21 4.72 -0.17 -1.34 4.77 -0.48 -4.66 117.00 128.05 1nx7 n LEU 32 Ca 0.12 -2.38 -0.02 0.00 -0.03 0.00 0.00 56.01 53.69 1nx7 n LEU 32 Cb 0.49 -0.58 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1nx7 n LEU 32 CO 0.72 0.77 0.97 0.74 -1.33 0.00 0.00 177.39 179.25 1nx7 h THR 33 N 3.97 0.80 0.00 -5.08 2.02 -1.87 0.19 112.91 112.95 1nx7 h THR 33 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1nx7 h THR 33 Cb 1.47 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1nx7 h THR 33 CO 0.25 0.07 -0.14 0.07 0.37 0.00 0.00 175.52 176.14 1nx7 h LYS 34 N 0.37 0.00 0.00 6.66 5.09 -1.93 -3.35 116.57 123.40 1nx7 h LYS 34 Ca 0.26 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.88 1nx7 h LYS 34 Cb 0.30 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.61 1nx7 h LYS 34 CO -0.27 0.00 -0.83 0.35 -2.09 0.00 0.00 179.45 176.61 1nx7 h PHE 35 N 0.00 0.00 -0.63 0.07 3.57 -1.29 -3.38 116.94 115.27 1nx7 h PHE 35 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1nx7 h PHE 35 Cb 0.92 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 1nx7 h PHE 35 CO 0.00 0.48 -0.33 1.28 -2.23 0.00 0.00 178.31 177.52 1nx7 n LEU 36 N -3.07 -0.57 0.00 0.59 4.77 -0.52 -0.45 117.00 117.75 1nx7 n LEU 36 Ca -0.02 1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.98 1nx7 n LEU 36 Cb 0.75 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1nx7 n LEU 36 CO 0.41 -0.95 0.46 -0.33 -1.33 0.00 0.00 177.39 175.65 1nx7 h GLU 37 N 0.00 0.56 -0.35 3.23 5.08 -1.88 -3.23 114.58 118.00 1nx7 h GLU 37 Ca 0.15 -0.37 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 1nx7 h GLU 37 Cb 0.31 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1nx7 h GLU 37 CO -0.61 0.98 -0.34 0.93 -1.00 0.00 0.00 179.01 178.97 1nx7 h GLU 38 N 0.43 0.84 -6.33 2.33 5.08 -1.10 -3.46 114.58 112.37 1nx7 h GLU 38 Ca 0.00 -0.44 -0.56 0.00 -1.00 0.00 0.00 59.36 57.36 1nx7 h GLU 38 Cb 1.13 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.41 1nx7 h GLU 38 CO 0.11 1.08 1.19 1.58 -1.00 0.00 0.00 179.01 181.97 1nx7 n HIS 39 N -4.15 2.45 0.08 4.33 -0.00 0.40 -4.89 115.22 113.45 1nx7 n HIS 39 Ca -0.03 -0.24 0.18 0.00 0.46 0.00 0.00 57.72 58.09 1nx7 n HIS 39 Cb 0.51 -2.76 0.72 0.00 -0.12 0.00 0.00 29.99 28.35 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 10.08 0.00 -0.71 1.57 0.13 -1.91 0.11 132.00 141.27 1nx7 h PRO 40 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1nx7 h PRO 40 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1nx7 h PRO 40 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 1nx7 n GLY 41 N -1.57 1.67 6.02 1.56 0.00 -1.26 -5.04 105.19 106.57 1nx7 n GLY 41 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.40 -2.00 0.31 -0.02 0.00 0.37 -4.70 105.19 99.55 1nx7 n GLY 42 Ca 0.10 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.42 0.47 -0.08 1.61 0.00 -1.22 -4.61 120.64 116.40 1nx7 n GLU 43 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 57.16 57.30 1nx7 n GLU 43 Cb 0.01 -1.29 -0.00 0.00 0.00 0.00 0.00 31.44 30.16 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 -0.77 -0.06 -0.70 3.44 4.57 -1.91 0.93 114.58 120.08 1nx7 h GLU 44 Ca -0.56 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 57.76 1nx7 h GLU 44 Cb 1.50 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.06 1nx7 h GLU 44 CO -0.33 -0.04 0.47 -0.24 -1.18 0.00 0.00 179.01 177.69 1nx7 h VAL 45 N -0.06 0.81 0.01 0.32 3.04 -1.84 0.23 116.25 118.76 1nx7 h VAL 45 Ca 0.15 -0.13 -0.07 0.00 -1.01 0.00 0.00 66.70 65.64 1nx7 h VAL 45 Cb 0.29 0.40 0.01 0.00 -2.01 0.00 0.00 31.29 29.98 1nx7 h VAL 45 CO -0.34 0.07 -0.29 -0.07 -1.01 0.00 0.00 177.57 175.92 1nx7 h LEU 46 N 0.38 0.23 -0.86 3.16 3.38 -1.15 -2.86 115.31 117.58 1nx7 h LEU 46 Ca 0.34 -0.82 0.14 0.00 0.09 0.00 0.00 57.88 57.63 1nx7 h LEU 46 Cb 0.80 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 1nx7 h LEU 46 CO -0.10 1.03 0.46 -0.09 0.09 0.00 0.00 178.44 179.83 1nx7 h ARG 47 N -0.53 0.66 -0.53 1.13 1.12 0.04 0.39 114.38 116.65 1nx7 h ARG 47 Ca -0.04 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.77 1nx7 h ARG 47 Cb 1.09 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.87 1nx7 h ARG 47 CO 0.06 0.44 0.26 0.93 -3.11 0.00 0.00 179.97 178.54 1nx7 h GLU 48 N 0.68 0.76 0.00 0.20 5.08 -0.65 -2.59 114.58 118.06 1nx7 h GLU 48 Ca 0.46 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 1nx7 h GLU 48 Cb 0.62 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1nx7 h GLU 48 CO -0.34 0.62 -0.12 1.96 -1.00 0.00 0.00 179.01 180.13 1nx7 h GLN 49 N 0.71 0.00 -6.20 2.33 1.08 -1.02 -3.47 115.11 108.55 1nx7 h GLN 49 Ca 0.18 0.00 -0.71 0.00 -1.45 0.00 0.00 58.65 56.67 1nx7 h GLN 49 Cb 0.11 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1nx7 h GLN 49 CO -0.02 0.12 0.59 0.00 -0.95 0.00 0.00 178.83 178.56 1nx7 n ALA 50 N -2.17 -0.91 -1.72 3.87 0.00 0.13 -1.97 120.51 117.74 1nx7 n ALA 50 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1nx7 n ALA 50 Cb 0.37 -2.10 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 3.07 0.78 3.70 0.00 0.00 0.49 -4.69 105.19 108.54 1nx7 n GLY 51 Ca 0.22 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.80 -0.30 -0.11 -0.02 0.00 -0.83 -4.39 107.32 98.86 1nx7 s GLY 52 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 44.72 44.79 1nx7 s GLY 52 CO 0.00 0.06 1.81 0.51 0.00 0.00 0.00 173.10 175.48 1nx7 s ASP 53 N -2.93 6.32 -0.17 1.64 -4.77 -1.26 -1.48 116.67 114.01 1nx7 s ASP 53 Ca 0.13 2.09 0.16 0.00 -3.30 0.00 0.00 52.55 51.62 1nx7 s ASP 53 Cb 0.01 -2.53 0.64 0.00 -1.09 0.00 0.00 42.92 39.95 1nx7 s ASP 53 CO -0.00 -1.24 1.55 0.00 0.70 0.00 0.00 175.17 176.18 1nx7 n ALA 54 N 8.41 3.21 -0.29 2.11 0.00 0.48 -4.44 120.51 130.00 1nx7 n ALA 54 Ca 0.20 -1.95 0.11 0.00 0.00 0.00 0.00 53.44 51.80 1nx7 n ALA 54 Cb 0.43 -0.87 0.26 0.00 0.00 0.00 0.00 19.45 19.28 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 2.93 0.45 -0.27 0.00 2.02 -0.72 0.94 112.91 118.26 1nx7 h THR 55 Ca 0.00 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1nx7 h THR 55 Cb 1.55 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1nx7 h THR 55 CO 0.29 0.06 -0.16 1.21 0.37 0.00 0.00 175.52 177.28 1nx7 n GLU 56 N -5.13 -0.12 0.01 6.66 4.07 -1.26 0.08 120.64 124.95 1nx7 n GLU 56 Ca 0.19 1.13 -0.10 0.00 -0.06 0.00 0.00 57.16 58.32 1nx7 n GLU 56 Cb 0.59 -1.68 -0.03 0.00 -0.06 0.00 0.00 31.44 30.26 1nx7 n GLU 56 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1nx7 h ASN 57 N 0.00 -0.52 -0.96 4.31 -0.73 -1.56 0.22 115.58 116.34 1nx7 h ASN 57 Ca 0.04 0.09 0.21 0.00 1.87 0.00 0.00 56.30 58.52 1nx7 h ASN 57 Cb 0.11 0.24 -0.08 0.00 0.27 0.00 0.00 38.32 38.86 1nx7 h ASN 57 CO -0.25 -0.22 0.62 0.15 -0.37 0.00 0.00 177.43 177.36 1nx7 h PHE 58 N -0.23 0.69 0.08 0.67 3.57 0.14 0.76 116.94 122.63 1nx7 h PHE 58 Ca 0.09 0.02 -0.33 0.00 3.53 0.00 0.00 57.97 61.28 1nx7 h PHE 58 Cb 0.35 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1nx7 h PHE 58 CO -0.27 0.15 -1.78 0.93 -2.23 0.00 0.00 178.31 175.11 1nx7 h GLU 59 N 0.49 0.18 0.57 1.11 5.08 0.31 -1.62 114.58 120.70 1nx7 h GLU 59 Ca 0.52 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1nx7 h GLU 59 Cb 1.18 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.55 1nx7 h GLU 59 CO -0.25 0.96 -0.27 0.22 -1.00 0.00 0.00 179.01 178.67 1nx7 h ASP 60 N 0.05 -0.65 0.86 1.42 3.58 -0.24 -2.95 116.42 118.49 1nx7 h ASP 60 Ca -0.33 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.12 1nx7 h ASP 60 Cb 2.02 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 43.24 1nx7 h ASP 60 CO 0.11 -0.25 -0.02 0.58 -2.88 0.00 0.00 179.24 176.78 1nx7 h VAL 61 N -1.18 0.05 0.00 2.25 2.07 -1.06 -3.47 116.25 114.91 1nx7 h VAL 61 Ca -0.08 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1nx7 h VAL 61 Cb 0.60 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1nx7 h VAL 61 CO 0.13 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1nx7 n GLY 62 N -0.13 1.68 1.15 2.17 0.00 -0.61 -4.83 105.19 104.62 1nx7 n GLY 62 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.99 -1.57 1.61 8.25 -1.25 -4.59 115.22 114.67 1nx7 n HIS 63 Ca 0.00 1.56 -0.36 0.00 -0.26 0.00 0.00 57.72 58.66 1nx7 n HIS 63 Cb 0.00 -2.84 0.08 0.00 1.12 0.00 0.00 29.99 28.35 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 0.02 1.77 -0.17 0.41 3.41 -1.26 -4.64 113.62 113.16 1nx7 n SER 64 Ca 0.00 0.77 -0.09 0.00 -0.26 0.00 0.00 58.87 59.29 1nx7 n SER 64 Cb 0.00 -1.54 -0.07 0.00 -0.26 0.00 0.00 64.21 62.34 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 0.17 0.00 -0.90 6.66 2.02 -1.99 0.20 112.91 119.08 1nx7 h THR 65 Ca -0.50 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.00 1nx7 h THR 65 Cb 1.33 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.58 1nx7 h THR 65 CO 0.51 0.00 0.27 0.47 0.37 0.00 0.00 175.52 177.15 1nx7 n ASP 66 N -4.52 0.13 0.11 4.18 9.92 -1.26 -0.55 116.55 124.56 1nx7 n ASP 66 Ca -0.01 1.50 -0.23 0.00 -0.53 0.00 0.00 54.79 55.52 1nx7 n ASP 66 Cb 0.21 -0.65 -0.16 0.00 -0.64 0.00 0.00 41.12 39.88 1nx7 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nx7 h ALA 67 N 1.79 -0.12 -0.39 2.24 0.00 -1.05 0.22 119.26 121.95 1nx7 h ALA 67 Ca 0.66 -0.84 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1nx7 h ALA 67 Cb 1.61 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 1nx7 h ALA 67 CO -0.76 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.20 1nx7 h ARG 68 N -0.00 0.20 0.00 0.00 3.08 -0.13 0.71 114.38 118.23 1nx7 h ARG 68 Ca -0.24 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.67 1nx7 h ARG 68 Cb 2.02 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 32.01 1nx7 h ARG 68 CO 0.23 0.13 -0.62 0.93 -1.07 0.00 0.00 179.97 179.58 1nx7 h GLU 69 N 0.21 0.00 -0.10 0.04 4.39 -0.68 -2.80 114.58 115.63 1nx7 h GLU 69 Ca 0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1nx7 h GLU 69 Cb 0.22 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1nx7 h GLU 69 CO -0.24 0.62 0.04 1.25 -1.16 0.00 0.00 179.01 179.52 1nx7 h LEU 70 N 0.00 0.14 -1.89 1.33 5.85 -0.27 -3.30 115.31 117.17 1nx7 h LEU 70 Ca -0.01 -0.16 0.19 0.00 0.84 0.00 0.00 57.88 58.74 1nx7 h LEU 70 Cb 1.22 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1nx7 h LEU 70 CO 0.08 0.27 0.60 0.77 -0.34 0.00 0.00 178.44 179.82 1nx7 h SER 71 N 0.01 0.00 -0.94 1.25 4.64 -0.58 -0.81 113.55 117.11 1nx7 h SER 71 Ca 0.03 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.55 1nx7 h SER 71 Cb 0.17 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.15 1nx7 h SER 71 CO -0.00 0.00 0.52 0.11 -0.87 0.00 0.00 176.83 176.59 1nx7 h LYS 72 N 0.00 0.59 0.00 4.77 1.79 -1.65 -0.06 116.57 122.01 1nx7 h LYS 72 Ca 0.31 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1nx7 h LYS 72 Cb 1.52 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 1nx7 h LYS 72 CO -0.00 0.39 0.00 0.25 -1.08 0.00 0.00 179.45 179.01 1nx7 n THR 73 N -4.88 1.40 0.50 -0.16 -2.24 -0.31 -1.18 114.28 107.41 1nx7 n THR 73 Ca 0.22 0.64 0.09 0.00 -2.27 0.00 0.00 64.05 62.74 1nx7 n THR 73 Cb 0.60 -1.64 0.11 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.97 0.16 -2.10 4.78 3.72 -0.04 -4.99 117.46 117.03 1nx7 n PHE 74 Ca -0.01 -0.11 -0.41 0.00 -0.05 0.00 0.00 57.45 56.86 1nx7 n PHE 74 Cb 0.02 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.35 2.91 0.00 4.37 1.01 -0.33 -0.89 121.20 126.92 1nx7 s ILE 75 Ca 0.24 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1nx7 s ILE 75 Cb 0.15 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1nx7 s ILE 75 CO 0.22 0.11 0.00 2.30 0.00 0.00 0.00 174.94 177.58 1nx7 n ILE 76 N 2.55 0.00 -3.19 2.92 -5.35 -0.34 -4.88 119.36 111.07 1nx7 n ILE 76 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1nx7 n ILE 76 Cb 0.41 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.82 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 2.83 1.37 3.34 3.28 0.00 -1.22 -4.29 105.19 110.50 1nx7 n GLY 77 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.02 1.04 -0.06 1.61 2.02 -1.13 -0.60 118.70 120.56 1nx7 s GLU 78 Ca 0.00 -0.51 -0.36 0.00 0.02 0.00 0.00 54.97 54.13 1nx7 s GLU 78 Cb 0.00 0.47 -0.14 0.00 0.10 0.00 0.00 34.13 34.56 1nx7 s GLU 78 CO 0.00 -0.40 1.72 -0.11 0.02 0.00 0.00 175.26 176.50 1nx7 n LEU 79 N 0.07 2.92 -4.56 1.80 7.94 0.12 0.39 117.00 125.68 1nx7 n LEU 79 Ca -0.17 1.04 -0.57 0.00 -1.11 0.00 0.00 56.01 55.19 1nx7 n LEU 79 Cb 0.62 -1.31 -0.07 0.00 0.53 0.00 0.00 43.42 43.19 1nx7 n LEU 79 CO 0.18 -0.31 0.76 1.57 -1.11 0.00 0.00 177.39 178.48 1nx7 n HIS 80 N 5.19 1.08 0.31 1.96 -0.00 0.50 -4.72 115.22 119.54 1nx7 n HIS 80 Ca 0.22 0.90 0.03 0.00 -0.00 0.00 0.00 57.72 58.86 1nx7 n HIS 80 Cb 0.24 -2.20 0.15 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 2.20 0.13 -0.03 1.57 -0.04 -1.26 -0.63 135.00 136.95 1nx7 n PRO 81 Ca 0.21 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 1nx7 n PRO 81 Cb 0.11 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.11 0.19 -0.74 3.54 2.03 -1.26 -4.39 116.55 114.80 1nx7 n ASP 82 Ca 0.03 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.38 1nx7 n ASP 82 Cb 0.03 1.77 0.13 0.00 -0.72 0.00 0.00 41.12 42.33 1nx7 n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1nx7 n ASP 83 N -2.33 2.06 0.00 1.67 -0.08 0.20 -5.20 116.55 112.87 1nx7 n ASP 83 Ca -0.09 -2.16 0.00 0.00 -1.51 0.00 0.00 54.79 51.02 1nx7 n ASP 83 Cb 0.66 -0.37 0.00 0.00 2.34 0.00 0.00 41.12 43.76 1nx7 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86