#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 2.36 -0.68 0.00 0.11 -1.26 -4.97 120.40 115.96 1nx7 s VAL 4 Ca 0.00 0.32 -0.24 0.00 -2.93 0.00 0.00 61.98 59.14 1nx7 s VAL 4 Cb 0.00 -3.21 0.06 0.00 -1.53 0.00 0.00 36.38 31.70 1nx7 s VAL 4 CO 0.00 0.06 1.06 -0.54 -3.33 0.00 0.00 175.10 172.35 1nx7 s LYS 5 N -1.08 3.14 -0.44 1.54 1.02 -1.25 -4.94 119.74 117.73 1nx7 s LYS 5 Ca 0.57 -0.65 -0.27 0.00 0.02 0.00 0.00 55.97 55.64 1nx7 s LYS 5 Cb -0.44 -4.21 -0.03 0.00 -0.52 0.00 0.00 37.83 32.63 1nx7 s LYS 5 CO 0.51 -1.91 1.97 0.71 -0.92 0.00 0.00 175.35 175.72 1nx7 s TYR 6 N 4.56 1.56 -0.08 3.18 2.02 -1.26 -2.35 117.35 124.98 1nx7 s TYR 6 Ca 0.26 0.84 0.00 0.00 -0.37 0.00 0.00 57.07 57.81 1nx7 s TYR 6 Cb -0.14 -3.99 -0.03 0.00 -0.40 0.00 0.00 41.96 37.40 1nx7 s TYR 6 CO 0.12 -2.78 -0.07 0.71 -1.57 0.00 0.00 175.55 171.97 1nx7 s TYR 7 N 8.74 2.95 0.41 2.71 2.02 0.12 -4.58 117.35 129.72 1nx7 s TYR 7 Ca 0.81 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 57.46 1nx7 s TYR 7 Cb -0.19 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1nx7 s TYR 7 CO 0.28 0.27 0.65 -0.08 -1.57 0.00 0.00 175.55 175.10 1nx7 s THR 8 N -0.63 4.84 0.35 -0.71 -1.32 -1.26 -0.45 115.64 116.46 1nx7 s THR 8 Ca 0.10 -0.26 0.19 0.00 -1.21 0.00 0.00 61.69 60.50 1nx7 s THR 8 Cb -0.12 -3.79 0.35 0.00 -1.51 0.00 0.00 72.50 67.43 1nx7 s THR 8 CO 0.02 -0.61 1.54 0.18 -2.21 0.00 0.00 174.62 173.53 1nx7 n LEU 9 N -1.99 0.30 0.07 9.08 4.77 -1.26 -0.74 117.00 127.23 1nx7 n LEU 9 Ca -0.02 1.62 -0.09 0.00 -0.03 0.00 0.00 56.01 57.49 1nx7 n LEU 9 Cb 0.56 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1nx7 n LEU 9 CO 0.50 -1.80 0.51 -0.08 -1.33 0.00 0.00 177.39 175.19 1nx7 h GLU 10 N 0.00 -0.39 -0.92 3.23 4.57 -1.96 0.25 114.58 119.37 1nx7 h GLU 10 Ca 0.80 0.03 0.22 0.00 -1.18 0.00 0.00 59.36 59.23 1nx7 h GLU 10 Cb 2.10 0.09 -0.17 0.00 -0.16 0.00 0.00 28.75 30.61 1nx7 h GLU 10 CO -0.76 -0.26 -0.05 0.93 -1.18 0.00 0.00 179.01 177.68 1nx7 h GLU 11 N -0.40 0.03 -0.59 1.92 4.39 -1.30 0.33 114.58 118.96 1nx7 h GLU 11 Ca -0.01 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1nx7 h GLU 11 Cb 0.40 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1nx7 h GLU 11 CO -0.14 0.02 0.28 0.82 -1.16 0.00 0.00 179.01 178.83 1nx7 h ILE 12 N 0.03 1.21 -0.49 3.13 5.03 -0.98 -3.27 117.51 122.18 1nx7 h ILE 12 Ca 0.51 -0.61 -0.04 0.00 -0.12 0.00 0.00 64.86 64.60 1nx7 h ILE 12 Cb 0.94 0.52 -0.02 0.00 -3.03 0.00 0.00 36.82 35.23 1nx7 h ILE 12 CO -0.87 0.25 0.15 -0.61 -0.68 0.00 0.00 178.15 176.38 1nx7 h GLN 13 N 0.81 0.72 0.00 2.37 4.15 0.32 0.25 115.11 123.72 1nx7 h GLN 13 Ca 0.20 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1nx7 h GLN 13 Cb 0.13 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1nx7 h GLN 13 CO -0.02 0.64 0.03 1.63 -1.93 0.00 0.00 178.83 179.17 1nx7 n LYS 14 N -4.31 0.13 -3.73 1.69 5.02 -0.68 -4.24 118.16 112.04 1nx7 n LYS 14 Ca 0.04 0.63 -0.28 0.00 -2.02 0.00 0.00 58.31 56.68 1nx7 n LYS 14 Cb 0.19 -1.95 -0.11 0.00 -0.02 0.00 0.00 35.03 33.14 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 -2.21 2.67 -2.01 2.13 8.25 0.87 -4.80 115.22 120.12 1nx7 n HIS 15 Ca -0.01 -4.13 -0.06 0.00 -0.26 0.00 0.00 57.72 53.25 1nx7 n HIS 15 Cb 0.06 -0.49 -0.06 0.00 1.12 0.00 0.00 29.99 30.61 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 1.85 -0.89 -1.32 0.41 6.94 -0.70 -0.92 115.26 120.63 1nx7 n ASN 16 Ca 0.23 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 1nx7 n ASN 16 Cb 0.38 0.27 0.00 0.00 -2.36 0.00 0.00 39.78 38.07 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 0.01 0.00 0.27 0.53 5.03 0.34 -4.88 115.26 116.56 1nx7 n ASN 17 Ca -0.26 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.08 1nx7 n ASN 17 Cb 0.70 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.41 1nx7 n ASN 17 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1nx7 h SER 18 N 0.00 -0.60 0.00 6.41 4.64 -2.00 -3.42 113.55 118.58 1nx7 h SER 18 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1nx7 h SER 18 Cb 0.00 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1nx7 h SER 18 CO 0.00 -0.32 -0.26 0.50 -0.87 0.00 0.00 176.83 175.88 1nx7 h LYS 19 N -0.94 0.00 -5.51 4.77 1.63 -1.96 -3.47 116.57 111.10 1nx7 h LYS 19 Ca -0.07 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.13 1nx7 h LYS 19 Cb 0.55 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.12 1nx7 h LYS 19 CO 0.12 0.00 1.57 0.43 -3.45 0.00 0.00 179.45 178.12 1nx7 n SER 20 N -4.31 0.95 -3.65 4.20 7.64 -1.26 -4.58 113.62 112.60 1nx7 n SER 20 Ca -0.04 0.28 -0.29 0.00 1.01 0.00 0.00 58.87 59.82 1nx7 n SER 20 Cb 0.14 -1.05 -0.13 0.00 -1.01 0.00 0.00 64.21 62.16 1nx7 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nx7 s THR 21 N 8.27 0.99 0.08 0.44 2.01 -1.26 -0.51 115.64 125.67 1nx7 s THR 21 Ca 1.23 -2.12 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1nx7 s THR 21 Cb -1.14 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 1nx7 s THR 21 CO 0.51 -0.87 0.22 0.26 -0.69 0.00 0.00 174.62 174.05 1nx7 s TRP 22 N 0.78 3.51 0.24 4.92 0.52 -0.10 -0.22 118.94 128.60 1nx7 s TRP 22 Ca 0.16 0.22 -0.19 0.00 0.02 0.00 0.00 56.10 56.32 1nx7 s TRP 22 Cb -0.23 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 1nx7 s TRP 22 CO -0.05 0.57 0.62 -0.48 0.02 0.00 0.00 176.95 177.64 1nx7 s LEU 23 N -2.65 -0.10 -0.16 2.99 0.05 -0.81 -0.27 118.68 117.72 1nx7 s LEU 23 Ca 0.35 -0.59 -0.01 0.00 0.05 0.00 0.00 54.13 53.93 1nx7 s LEU 23 Cb -0.13 2.40 -0.01 0.00 -2.05 0.00 0.00 46.19 46.41 1nx7 s LEU 23 CO 0.28 -1.21 -0.12 -0.63 -0.55 0.00 0.00 176.35 174.12 1nx7 s ILE 24 N -3.91 2.98 -0.50 1.48 1.01 -0.43 -0.57 121.20 121.27 1nx7 s ILE 24 Ca 0.12 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1nx7 s ILE 24 Cb -0.03 -2.28 0.13 0.00 0.01 0.00 0.00 42.46 40.28 1nx7 s ILE 24 CO 0.03 0.50 0.24 -0.76 0.00 0.00 0.00 174.94 174.95 1nx7 s LEU 25 N 0.80 4.22 -0.48 2.97 1.02 0.23 0.18 118.68 127.62 1nx7 s LEU 25 Ca -0.04 -2.90 -0.28 0.00 0.02 0.00 0.00 54.13 50.92 1nx7 s LEU 25 Cb -0.15 -1.59 0.04 0.00 0.02 0.00 0.00 46.19 44.51 1nx7 s LEU 25 CO 0.01 -0.25 0.64 0.00 0.02 0.00 0.00 176.35 176.77 1nx7 n HIS 26 N 3.26 -2.90 0.00 0.29 1.44 -1.26 -2.90 115.22 113.14 1nx7 n HIS 26 Ca 0.05 1.20 0.00 0.00 -2.01 0.00 0.00 57.72 56.96 1nx7 n HIS 26 Cb 0.33 -2.62 0.00 0.00 0.12 0.00 0.00 29.99 27.82 1nx7 n HIS 26 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1nx7 n TYR 27 N -0.44 0.00 -2.66 -1.40 9.36 -1.26 -4.94 117.16 115.82 1nx7 n TYR 27 Ca -0.04 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.76 1nx7 n TYR 27 Cb 0.61 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.30 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 4.48 -0.23 2.98 -0.14 -1.14 -0.28 119.74 125.40 1nx7 s LYS 28 Ca 0.00 1.46 -0.16 0.00 -1.36 0.00 0.00 55.97 55.91 1nx7 s LYS 28 Cb 0.00 -3.49 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 1nx7 s LYS 28 CO 0.00 -0.20 0.41 0.08 -0.76 0.00 0.00 175.35 174.88 1nx7 s VAL 29 N 1.50 5.17 -0.24 3.17 1.01 0.09 -0.61 120.40 130.49 1nx7 s VAL 29 Ca 0.51 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 63.13 1nx7 s VAL 29 Cb -0.21 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1nx7 s VAL 29 CO 0.24 0.19 0.04 -0.31 0.00 0.00 0.00 175.10 175.25 1nx7 s TYR 30 N 1.75 3.05 -0.53 5.22 1.51 0.27 -1.39 117.35 127.22 1nx7 s TYR 30 Ca 0.18 -0.58 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 1nx7 s TYR 30 Cb -0.15 -2.20 0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1nx7 s TYR 30 CO 0.09 -0.42 1.20 0.34 -1.11 0.00 0.00 175.55 175.64 1nx7 s ASP 31 N 1.57 6.50 -0.09 2.29 -1.08 -0.08 -1.93 116.67 123.85 1nx7 s ASP 31 Ca 0.06 0.31 0.18 0.00 -0.52 0.00 0.00 52.55 52.59 1nx7 s ASP 31 Cb -0.15 -2.55 0.68 0.00 -1.46 0.00 0.00 42.92 39.44 1nx7 s ASP 31 CO 0.02 -1.40 1.58 0.18 0.52 0.00 0.00 175.17 176.07 1nx7 n LEU 32 N 8.27 4.44 -0.20 -1.34 4.77 0.70 -4.60 117.00 129.05 1nx7 n LEU 32 Ca 0.11 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 1nx7 n LEU 32 Cb 0.49 -0.55 0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1nx7 n LEU 32 CO 0.72 0.80 0.95 0.74 -1.33 0.00 0.00 177.39 179.27 1nx7 h THR 33 N 3.95 0.71 0.00 -5.08 2.02 -1.74 0.14 112.91 112.90 1nx7 h THR 33 Ca 0.00 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 1nx7 h THR 33 Cb 1.33 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1nx7 h THR 33 CO 0.19 0.06 -0.45 0.07 0.37 0.00 0.00 175.52 175.76 1nx7 h LYS 34 N 0.33 0.00 0.00 6.66 5.09 -1.90 -3.37 116.57 123.38 1nx7 h LYS 34 Ca 0.31 0.00 -0.20 0.00 0.09 0.00 0.00 60.65 60.84 1nx7 h LYS 34 Cb 0.41 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.71 1nx7 h LYS 34 CO -0.35 0.45 -1.26 0.35 -2.09 0.00 0.00 179.45 176.55 1nx7 h PHE 35 N 0.00 0.00 -0.64 0.07 3.57 -1.08 -3.38 116.94 115.48 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 1.09 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.75 1nx7 h PHE 35 CO 0.00 0.77 -0.34 1.28 -2.23 0.00 0.00 178.31 177.80 1nx7 n LEU 36 N -3.08 -0.59 0.21 0.59 4.77 -0.31 -0.19 117.00 118.39 1nx7 n LEU 36 Ca -0.08 1.13 0.07 0.00 -0.03 0.00 0.00 56.01 57.10 1nx7 n LEU 36 Cb 0.90 -0.18 0.45 0.00 -2.33 0.00 0.00 43.42 42.26 1nx7 n LEU 36 CO 0.44 -0.95 0.77 -0.33 -1.33 0.00 0.00 177.39 176.00 1nx7 h GLU 37 N 0.00 0.00 0.19 3.23 3.07 -1.87 -3.25 114.58 115.94 1nx7 h GLU 37 Ca 0.14 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.65 1nx7 h GLU 37 Cb 0.30 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1nx7 h GLU 37 CO -0.61 0.29 -1.73 0.93 -1.40 0.00 0.00 179.01 176.49 1nx7 h GLU 38 N 0.00 0.39 -6.48 2.33 5.08 -0.79 -3.48 114.58 111.62 1nx7 h GLU 38 Ca -0.00 -0.67 -0.54 0.00 -1.00 0.00 0.00 59.36 57.15 1nx7 h GLU 38 Cb 0.70 0.25 0.04 0.00 0.50 0.00 0.00 28.75 30.24 1nx7 h GLU 38 CO 0.04 1.31 1.09 1.58 -1.00 0.00 0.00 179.01 182.03 1nx7 n HIS 39 N -3.58 2.57 -0.18 4.33 -0.00 0.36 -4.91 115.22 113.81 1nx7 n HIS 39 Ca -0.24 -0.11 0.23 0.00 0.46 0.00 0.00 57.72 58.06 1nx7 n HIS 39 Cb 1.08 -2.71 0.62 0.00 -0.12 0.00 0.00 29.99 28.85 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 8.47 0.18 -0.56 1.57 0.13 -1.91 0.33 132.00 140.21 1nx7 h PRO 40 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nx7 h PRO 40 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nx7 h PRO 40 CO 0.94 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 179.24 1nx7 n GLY 41 N -1.61 1.14 7.00 1.56 0.00 -1.26 -5.05 105.19 106.98 1nx7 n GLY 41 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.58 -1.95 0.42 -0.02 0.00 0.10 -4.69 105.19 99.63 1nx7 n GLY 42 Ca 0.09 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.12 0.40 -0.08 1.61 0.00 -1.24 -4.64 120.64 116.57 1nx7 n GLU 43 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 57.16 57.27 1nx7 n GLU 43 Cb 0.00 -1.17 -0.00 0.00 0.00 0.00 0.00 31.44 30.27 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 -0.68 -0.00 -0.70 3.44 4.57 -1.92 0.12 114.58 119.41 1nx7 h GLU 44 Ca -0.44 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 57.92 1nx7 h GLU 44 Cb 1.36 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.91 1nx7 h GLU 44 CO -0.27 -0.00 0.49 -0.24 -1.18 0.00 0.00 179.01 177.81 1nx7 h VAL 45 N -0.00 0.72 0.08 0.32 3.04 -1.85 0.22 116.25 118.77 1nx7 h VAL 45 Ca 0.15 -0.06 -0.16 0.00 -1.01 0.00 0.00 66.70 65.63 1nx7 h VAL 45 Cb 0.23 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1nx7 h VAL 45 CO -0.32 0.03 -0.77 -0.07 -1.01 0.00 0.00 177.57 175.43 1nx7 h LEU 46 N 0.16 0.25 -0.96 3.16 3.38 -1.13 -3.22 115.31 116.96 1nx7 h LEU 46 Ca 0.34 -0.89 0.17 0.00 0.09 0.00 0.00 57.88 57.59 1nx7 h LEU 46 Cb 1.10 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.67 1nx7 h LEU 46 CO -0.05 1.34 0.56 -0.09 0.09 0.00 0.00 178.44 180.29 1nx7 h ARG 47 N -0.62 0.74 -0.45 1.13 1.12 0.23 0.41 114.38 116.94 1nx7 h ARG 47 Ca -0.16 -0.04 0.01 0.00 -1.11 0.00 0.00 59.98 58.67 1nx7 h ARG 47 Cb 1.44 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 31.21 1nx7 h ARG 47 CO 0.04 0.49 0.29 0.93 -3.11 0.00 0.00 179.97 178.61 1nx7 h GLU 48 N 0.76 0.58 0.00 0.20 5.08 -0.75 -2.52 114.58 117.93 1nx7 h GLU 48 Ca 0.53 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.81 1nx7 h GLU 48 Cb 0.76 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1nx7 h GLU 48 CO -0.36 0.38 -0.25 1.96 -1.00 0.00 0.00 179.01 179.74 1nx7 h GLN 49 N 0.60 0.00 -6.14 2.33 1.08 -1.09 -3.47 115.11 108.42 1nx7 h GLN 49 Ca 0.17 0.00 -0.75 0.00 -1.45 0.00 0.00 58.65 56.62 1nx7 h GLN 49 Cb -0.05 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1nx7 h GLN 49 CO -0.05 0.25 0.61 0.00 -0.95 0.00 0.00 178.83 178.70 1nx7 n ALA 50 N -2.28 -1.11 -1.08 3.87 0.00 0.13 -1.36 120.51 118.68 1nx7 n ALA 50 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1nx7 n ALA 50 Cb 0.39 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 3.27 0.73 3.82 0.00 0.00 0.62 -4.66 105.19 108.97 1nx7 n GLY 51 Ca 0.24 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.70 -0.07 -0.11 -0.02 0.00 -0.46 -4.12 107.32 99.84 1nx7 s GLY 52 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.20 1nx7 s GLY 52 CO 0.00 0.06 1.84 0.51 0.00 0.00 0.00 173.10 175.51 1nx7 s ASP 53 N -2.97 6.28 -0.05 1.64 -4.77 -1.26 -1.31 116.67 114.22 1nx7 s ASP 53 Ca 0.13 2.10 0.10 0.00 -3.30 0.00 0.00 52.55 51.57 1nx7 s ASP 53 Cb -0.04 -2.53 0.26 0.00 -1.09 0.00 0.00 42.92 39.52 1nx7 s ASP 53 CO 0.06 -1.27 1.20 0.00 0.70 0.00 0.00 175.17 175.86 1nx7 n ALA 54 N 8.55 2.28 -0.29 2.11 0.00 0.13 -4.65 120.51 128.64 1nx7 n ALA 54 Ca 0.21 -1.47 0.04 0.00 0.00 0.00 0.00 53.44 52.22 1nx7 n ALA 54 Cb 0.43 -0.36 0.12 0.00 0.00 0.00 0.00 19.45 19.64 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 1.21 0.17 -0.29 0.00 2.02 -1.30 0.51 112.91 115.25 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 0.82 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 1nx7 h THR 55 CO 0.04 0.00 -0.32 -0.08 0.37 0.00 0.00 175.52 175.53 1nx7 h GLU 56 N 0.01 -0.18 -0.38 6.66 4.81 -1.87 0.61 114.58 124.23 1nx7 h GLU 56 Ca 0.41 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.73 1nx7 h GLU 56 Cb 0.65 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 1nx7 h GLU 56 CO -0.84 -0.12 -0.17 -0.91 -0.73 0.00 0.00 179.01 176.24 1nx7 h ASN 57 N -0.19 -0.57 -0.71 1.04 -0.26 -1.63 0.32 115.58 113.58 1nx7 h ASN 57 Ca 0.05 0.14 0.12 0.00 -0.56 0.00 0.00 56.30 56.05 1nx7 h ASN 57 Cb 0.32 0.32 -0.09 0.00 -1.06 0.00 0.00 38.32 37.81 1nx7 h ASN 57 CO -0.37 -0.20 0.28 0.15 -1.06 0.00 0.00 177.43 176.23 1nx7 h PHE 58 N -0.09 0.49 0.00 1.19 3.57 0.06 -1.67 116.94 120.48 1nx7 h PHE 58 Ca 0.19 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 1nx7 h PHE 58 Cb 0.38 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1nx7 h PHE 58 CO -0.40 0.09 -1.33 0.93 -2.23 0.00 0.00 178.31 175.37 1nx7 h GLU 59 N 0.45 0.00 0.17 1.11 4.39 -0.08 0.58 114.58 121.20 1nx7 h GLU 59 Ca 0.38 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 1nx7 h GLU 59 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1nx7 h GLU 59 CO -0.37 0.34 -0.08 0.22 -1.16 0.00 0.00 179.01 177.96 1nx7 h ASP 60 N 0.00 -0.19 -0.59 1.42 3.58 -0.36 -2.64 116.42 117.64 1nx7 h ASP 60 Ca -0.15 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 1nx7 h ASP 60 Cb 1.59 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.66 1nx7 h ASP 60 CO 0.05 0.07 0.34 0.58 -2.88 0.00 0.00 179.24 177.41 1nx7 h VAL 61 N -0.46 1.18 -1.92 2.25 2.07 -1.36 -3.47 116.25 114.54 1nx7 h VAL 61 Ca -0.02 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1nx7 h VAL 61 Cb 0.36 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1nx7 h VAL 61 CO 0.04 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.44 1nx7 n GLY 62 N -1.28 0.49 3.72 2.17 0.00 0.14 -4.98 105.19 105.45 1nx7 n GLY 62 Ca 0.06 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.96 2.53 -0.89 1.61 8.25 -0.84 -4.94 115.22 119.98 1nx7 n HIS 63 Ca 0.00 0.49 -0.33 0.00 -0.26 0.00 0.00 57.72 57.63 1nx7 n HIS 63 Cb 0.46 -2.47 0.14 0.00 1.12 0.00 0.00 29.99 29.24 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 0.84 -0.25 -0.08 0.41 3.41 -1.26 -4.68 113.62 112.02 1nx7 n SER 64 Ca 0.04 0.46 -0.11 0.00 -0.26 0.00 0.00 58.87 59.00 1nx7 n SER 64 Cb 0.37 -1.39 -0.06 0.00 -0.26 0.00 0.00 64.21 62.86 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 -1.38 0.10 -0.89 6.66 2.02 -1.99 0.83 112.91 118.26 1nx7 h THR 65 Ca -0.44 0.00 0.24 0.00 0.77 0.00 0.00 66.41 66.98 1nx7 h THR 65 Cb 1.29 0.10 -0.15 0.00 -1.74 0.00 0.00 68.15 67.65 1nx7 h THR 65 CO 0.41 0.00 0.16 0.44 0.37 0.00 0.00 175.52 176.89 1nx7 h ASP 66 N -0.41 -0.17 0.09 4.18 5.19 -1.98 0.58 116.42 123.90 1nx7 h ASP 66 Ca 0.10 0.22 -0.19 0.00 -0.62 0.00 0.00 57.03 56.55 1nx7 h ASP 66 Cb 0.61 0.34 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 1nx7 h ASP 66 CO -0.51 -0.22 -0.69 0.00 -3.12 0.00 0.00 179.24 174.69 1nx7 h ALA 67 N 1.83 0.55 -0.17 3.45 0.00 -1.56 0.25 119.26 123.61 1nx7 h ALA 67 Ca 0.55 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1nx7 h ALA 67 Cb 1.13 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1nx7 h ALA 67 CO -0.73 0.72 -0.14 -0.09 0.00 0.00 0.00 179.25 179.02 1nx7 h ARG 68 N 0.39 -0.14 0.00 0.00 2.43 0.48 0.94 114.38 118.48 1nx7 h ARG 68 Ca -0.03 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 1nx7 h ARG 68 Cb 1.27 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1nx7 h ARG 68 CO 0.13 -0.09 -0.85 0.93 -1.51 0.00 0.00 179.97 178.57 1nx7 h GLU 69 N -0.15 0.15 -0.50 0.20 4.39 -0.55 -2.37 114.58 115.75 1nx7 h GLU 69 Ca 0.10 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1nx7 h GLU 69 Cb 0.30 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1nx7 h GLU 69 CO -0.26 0.91 0.30 1.25 -1.16 0.00 0.00 179.01 180.05 1nx7 h LEU 70 N 0.08 0.60 -1.51 1.33 5.85 -0.40 -3.16 115.31 118.11 1nx7 h LEU 70 Ca -0.03 -0.06 0.29 0.00 0.84 0.00 0.00 57.88 58.91 1nx7 h LEU 70 Cb 1.47 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 1nx7 h LEU 70 CO 0.13 0.49 0.71 0.77 -0.34 0.00 0.00 178.44 180.20 1nx7 h SER 71 N 0.67 0.33 -1.00 1.25 4.64 -0.25 -1.57 113.55 117.63 1nx7 h SER 71 Ca 0.18 0.07 0.25 0.00 -0.47 0.00 0.00 61.79 61.82 1nx7 h SER 71 Cb -0.00 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.03 1nx7 h SER 71 CO -0.03 0.05 0.66 0.11 -0.87 0.00 0.00 176.83 176.75 1nx7 h LYS 72 N 0.29 0.32 0.00 4.77 1.79 -1.58 0.13 116.57 122.28 1nx7 h LYS 72 Ca 0.60 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1nx7 h LYS 72 Cb 1.72 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 1nx7 h LYS 72 CO -0.24 0.21 0.00 1.79 -1.08 0.00 0.00 179.45 180.13 1nx7 h THR 73 N 0.33 0.00 -0.18 -0.16 1.35 -1.51 -2.55 112.91 110.20 1nx7 h THR 73 Ca 0.54 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.31 1nx7 h THR 73 Cb 1.49 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1nx7 h THR 73 CO -0.20 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.56 1nx7 n PHE 74 N -2.36 0.23 -2.20 4.73 3.72 0.43 -4.98 117.46 117.02 1nx7 n PHE 74 Ca -0.01 -0.26 -0.42 0.00 -0.05 0.00 0.00 57.45 56.72 1nx7 n PHE 74 Cb 0.10 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.94 3.53 -0.09 4.37 1.01 -0.96 -0.90 121.20 127.22 1nx7 s ILE 75 Ca 0.17 1.02 0.11 0.00 0.00 0.00 0.00 60.65 61.95 1nx7 s ILE 75 Cb 0.10 -3.65 -0.16 0.00 0.01 0.00 0.00 42.46 38.76 1nx7 s ILE 75 CO 0.14 0.04 0.11 2.30 0.00 0.00 0.00 174.94 177.53 1nx7 n ILE 76 N 4.33 0.56 -2.76 2.92 -5.35 -0.49 -4.90 119.36 113.67 1nx7 n ILE 76 Ca 0.12 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 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 2.14 1.50 3.62 3.28 0.00 -1.20 -3.82 105.19 110.71 1nx7 n GLY 77 Ca -0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 0.56 1.51 -0.01 1.61 2.02 -0.99 -0.73 118.70 122.67 1nx7 s GLU 78 Ca 0.00 -0.97 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 1nx7 s GLU 78 Cb 0.00 0.53 -0.08 0.00 0.10 0.00 0.00 34.13 34.68 1nx7 s GLU 78 CO 0.00 -0.65 1.94 -1.17 0.02 0.00 0.00 175.26 175.39 1nx7 s LEU 79 N -2.91 4.30 -0.02 1.80 2.96 0.62 0.11 118.68 125.53 1nx7 s LEU 79 Ca 0.12 2.50 -0.40 0.00 -0.22 0.00 0.00 54.13 56.13 1nx7 s LEU 79 Cb -0.02 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 42.94 1nx7 s LEU 79 CO 0.02 -1.13 1.14 1.57 -1.32 0.00 0.00 176.35 176.62 1nx7 n HIS 80 N 7.93 0.81 0.19 5.38 -0.00 0.41 -4.77 115.22 125.18 1nx7 n HIS 80 Ca 0.20 1.02 0.02 0.00 -0.00 0.00 0.00 57.72 58.96 1nx7 n HIS 80 Cb 0.42 -2.13 0.10 0.00 -0.00 0.00 0.00 29.99 28.38 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 1.79 0.07 -0.01 1.57 -0.04 -1.26 -0.83 135.00 136.29 1nx7 n PRO 81 Ca 0.21 0.20 0.07 0.00 -0.04 0.00 0.00 63.50 63.94 1nx7 n PRO 81 Cb 0.08 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.23 1.98 -0.02 3.54 2.03 -1.26 -4.51 116.55 117.07 1nx7 n ASP 82 Ca 0.02 -0.02 0.15 0.00 0.52 0.00 0.00 54.79 55.46 1nx7 n ASP 82 Cb 0.03 1.58 0.81 0.00 -0.72 0.00 0.00 41.12 42.82 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 -1.94 0.08 0.00 1.67 2.03 -0.01 -5.18 116.55 113.21 1nx7 n ASP 83 Ca -0.02 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.76 1nx7 n ASP 83 Cb 0.34 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1nx7 n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82