#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njq s PRO 2 N 0.00 1.57 0.65 -2.67 0.04 -1.26 -4.95 135.00 128.38 1njq s PRO 2 Ca 0.00 0.95 0.41 0.00 0.04 0.00 0.00 61.00 62.40 1njq s PRO 2 Cb 0.00 -1.83 2.25 0.00 0.04 0.00 0.00 34.50 34.95 1njq s PRO 2 CO 0.00 -2.06 2.31 -1.00 0.04 0.00 0.00 177.00 176.29 1njq h PRO 3 N -1.42 0.00 -4.15 0.56 0.13 -2.04 -3.35 132.00 121.73 1njq h PRO 3 Ca -0.47 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.14 1njq h PRO 3 Cb 1.27 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.44 1njq h PRO 3 CO 0.53 0.00 2.25 0.54 -0.23 0.00 0.00 178.00 181.09 1njq n ARG 4 N -3.20 1.48 -1.50 0.86 5.12 -1.26 -4.81 116.66 113.34 1njq n ARG 4 Ca -0.03 -1.57 0.12 0.00 -1.93 0.00 0.00 57.85 54.44 1njq n ARG 4 Cb 0.11 -2.68 -0.07 0.00 -1.16 0.00 0.00 32.46 28.67 1njq n ARG 4 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1njq n SER 5 N 6.38 -8.13 -4.71 0.55 3.41 -1.26 -5.00 113.62 104.86 1njq n SER 5 Ca 0.45 1.62 -0.31 0.00 -0.26 0.00 0.00 58.87 60.36 1njq n SER 5 Cb 0.29 -5.08 -0.08 0.00 -0.26 0.00 0.00 64.21 59.08 1njq n SER 5 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1njq s TYR 6 N -4.68 3.08 0.02 7.33 2.02 -0.51 -4.50 117.35 120.10 1njq s TYR 6 Ca 0.00 0.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 1njq s TYR 6 Cb 0.00 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 1njq s TYR 6 CO 0.00 0.49 -0.09 0.99 -1.57 0.00 0.00 175.55 175.37 1njq s THR 7 N -1.25 0.65 -0.12 -0.71 2.01 -1.25 -0.23 115.64 114.75 1njq s THR 7 Ca 0.24 -0.69 -0.24 0.00 0.31 0.00 0.00 61.69 61.31 1njq s THR 7 Cb -0.12 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1njq s THR 7 CO 0.16 -0.05 0.77 0.00 -0.69 0.00 0.00 174.62 174.82 1njq n SER 9 N 4.55 2.14 0.01 0.00 3.41 -1.26 -1.40 113.62 121.07 1njq n SER 9 Ca 0.02 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 1njq n SER 9 Cb 0.50 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1njq n SER 9 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1njq n PHE 10 N 0.22 -0.07 0.05 7.33 -0.00 -1.26 -4.87 117.46 118.86 1njq n PHE 10 Ca 0.02 0.01 0.02 0.00 -0.00 0.00 0.00 57.45 57.50 1njq n PHE 10 Cb 0.43 0.13 0.03 0.00 -0.00 0.00 0.00 39.48 40.07 1njq n PHE 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1njq n LYS 12 N 0.01 -4.42 -1.58 0.00 3.00 -0.49 -4.99 118.16 109.68 1njq n LYS 12 Ca 0.03 0.55 -0.32 0.00 -0.00 0.00 0.00 58.31 58.57 1njq n LYS 12 Cb 0.18 -5.36 0.06 0.00 0.00 0.00 0.00 35.03 29.91 1njq n LYS 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1njq s ARG 13 N -6.36 2.61 -0.07 1.64 1.81 -1.25 -4.72 118.95 112.61 1njq s ARG 13 Ca 0.55 1.30 0.05 0.00 -1.72 0.00 0.00 55.73 55.91 1njq s ARG 13 Cb -0.28 -1.93 -0.00 0.00 -0.45 0.00 0.00 34.95 32.28 1njq s ARG 13 CO 0.68 -1.38 -0.23 -1.83 -0.68 0.00 0.00 175.30 171.86 1njq s GLU 14 N -4.41 2.58 -0.30 3.54 -1.05 -1.26 -1.48 118.70 116.33 1njq s GLU 14 Ca 0.65 -0.83 -0.08 0.00 -0.15 0.00 0.00 54.97 54.56 1njq s GLU 14 Cb -0.19 -2.09 0.18 0.00 -0.44 0.00 0.00 34.13 31.59 1njq s GLU 14 CO 0.47 0.27 0.91 -0.59 0.95 0.00 0.00 175.26 177.27 1njq s PHE 15 N 0.09 -0.89 0.49 4.83 -0.12 0.68 -5.01 117.98 118.05 1njq s PHE 15 Ca -0.10 0.74 0.23 0.00 -0.05 0.00 0.00 56.93 57.75 1njq s PHE 15 Cb -0.15 0.23 1.40 0.00 -0.63 0.00 0.00 43.02 43.87 1njq s PHE 15 CO 0.05 -0.50 2.11 0.07 -0.05 0.00 0.00 175.22 176.90 1njq h ARG 16 N 7.78 0.00 -5.60 1.99 0.11 -1.90 -1.35 114.38 115.41 1njq h ARG 16 Ca -0.12 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.36 1njq h ARG 16 Cb 1.17 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.15 1njq h ARG 16 CO -0.00 0.09 0.22 -1.54 0.10 0.00 0.00 179.97 178.84 1njq s SER 17 N -6.52 6.66 0.43 0.08 1.04 -1.26 -4.65 113.70 109.47 1njq s SER 17 Ca -0.04 0.81 0.20 0.00 0.48 0.00 0.00 55.95 57.40 1njq s SER 17 Cb 0.15 -2.36 1.14 0.00 0.10 0.00 0.00 66.02 65.04 1njq s SER 17 CO 0.62 -0.38 1.83 0.00 0.98 0.00 0.00 173.24 176.28 1njq h ALA 18 N 7.76 2.30 -0.98 5.32 0.00 -2.00 -0.63 119.26 131.04 1njq h ALA 18 Ca -0.27 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1njq h ALA 18 Cb 1.12 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1njq h ALA 18 CO 0.79 -0.63 0.62 1.96 0.00 0.00 0.00 179.25 182.00 1njq h GLN 19 N 0.36 0.92 -0.24 0.00 4.20 -1.98 -0.76 115.11 117.62 1njq h GLN 19 Ca 0.51 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1njq h GLN 19 Cb 1.37 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1njq h GLN 19 CO -0.20 0.61 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 1njq n ALA 20 N -2.37 2.47 -0.08 3.87 0.00 -0.26 -3.74 120.51 120.39 1njq n ALA 20 Ca 0.18 -0.76 -0.08 0.00 0.00 0.00 0.00 53.44 52.78 1njq n ALA 20 Cb 0.36 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 1njq n ALA 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1njq n LEU 21 N 1.00 1.81 -0.01 0.00 0.00 -0.38 -3.68 117.00 115.74 1njq n LEU 21 Ca 0.17 0.31 -0.10 0.00 0.00 0.00 0.00 56.01 56.40 1njq n LEU 21 Cb 0.50 -0.73 -0.04 0.00 0.00 0.00 0.00 43.42 43.15 1njq n LEU 21 CO 0.15 -0.29 0.82 1.23 0.00 0.00 0.00 177.39 179.30 1njq h GLY 22 N -0.93 0.05 1.31 -3.96 0.00 -1.51 -0.25 103.07 97.77 1njq h GLY 22 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.48 1njq h GLY 22 CO 0.00 -0.08 0.29 -1.33 0.00 0.00 0.00 176.54 175.43 1njq h GLY 23 N -0.05 0.34 0.78 4.60 0.00 -1.79 -2.53 103.07 104.42 1njq h GLY 23 Ca 0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1njq h GLY 23 CO -0.16 0.08 -0.40 0.84 0.00 0.00 0.00 176.54 176.90 1njq h HIS 24 N 0.27 0.58 0.00 5.60 6.17 -1.16 -2.82 115.15 123.78 1njq h HIS 24 Ca 0.20 -0.25 -0.02 0.00 0.71 0.00 0.00 60.37 61.00 1njq h HIS 24 Cb 0.43 -0.09 -0.00 0.00 2.52 0.00 0.00 27.41 30.27 1njq h HIS 24 CO -0.00 1.01 -0.11 1.98 0.71 0.00 0.00 177.93 181.51 1njq h MET 25 N -0.02 0.00 -0.86 5.26 -1.53 -0.90 -2.69 114.93 114.19 1njq h MET 25 Ca -0.03 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.24 1njq h MET 25 Cb 1.05 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 32.06 1njq h MET 25 CO 0.08 0.11 0.57 -0.97 0.14 0.00 0.00 176.91 176.84 1njq h ASN 26 N 0.00 0.98 0.61 1.39 -1.24 -1.22 -1.36 115.58 114.73 1njq h ASN 26 Ca -0.00 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1njq h ASN 26 Cb 0.22 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1njq h ASN 26 CO 0.01 0.71 0.00 1.62 -1.29 0.00 0.00 177.43 178.48 1njq h VAL 27 N 1.16 0.00 0.00 2.57 3.04 -1.35 -3.34 116.25 118.33 1njq h VAL 27 Ca 0.31 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1njq h VAL 27 Cb -0.13 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 1njq h VAL 27 CO -0.07 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.90 1njq n HIS 28 N -2.56 0.00 0.00 3.17 8.25 -0.72 -5.14 115.22 118.22 1njq n HIS 28 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1njq n HIS 28 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1njq n HIS 28 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1njq n ARG 29 N -0.59 0.00 -2.78 -0.41 1.74 -0.59 -5.13 116.66 108.90 1njq n ARG 29 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1njq n ARG 29 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1njq n ARG 29 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1njq n ARG 30 N -0.94 -3.13 -2.34 5.56 0.63 -1.26 -4.85 116.66 110.32 1njq n ARG 30 Ca 0.00 2.56 -0.00 0.00 -0.92 0.00 0.00 57.85 59.49 1njq n ARG 30 Cb 0.00 -4.85 0.05 0.00 0.45 0.00 0.00 32.46 28.11 1njq n ARG 30 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1njq n ASP 31 N 0.79 0.47 0.00 6.15 2.03 -1.26 -4.98 116.55 119.76 1njq n ASP 31 Ca -0.00 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.24 1njq n ASP 31 Cb 0.07 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1njq n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1njq n ARG 32 N -0.55 0.00 -4.24 -0.67 1.74 -1.26 -4.81 116.66 106.88 1njq n ARG 32 Ca -0.03 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 1njq n ARG 32 Cb 0.88 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 32.25 1njq n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1njq n ALA 33 N 0.32 -1.86 -0.89 7.54 0.00 -1.26 -4.56 120.51 119.80 1njq n ALA 33 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1njq n ALA 33 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1njq n ALA 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1njq n ARG 34 N -4.46 0.00 -1.40 0.00 5.12 -1.26 -5.19 116.66 109.47 1njq n ARG 34 Ca -0.24 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 55.84 1njq n ARG 34 Cb 0.65 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.86 1njq n ARG 34 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1njq n LEU 35 N -0.90 -1.05 -3.84 0.55 4.77 -1.26 -5.07 117.00 110.20 1njq n LEU 35 Ca 0.00 2.38 -0.12 0.00 -0.03 0.00 0.00 56.01 58.24 1njq n LEU 35 Cb 0.00 -2.93 -0.13 0.00 -2.33 0.00 0.00 43.42 38.03 1njq n LEU 35 CO 0.00 -1.97 -0.24 0.00 -1.33 0.00 0.00 177.39 173.85 1njq s ARG 36 N -4.35 0.16 0.00 3.23 1.70 -1.26 -5.24 118.95 113.19 1njq s ARG 36 Ca 0.00 0.07 0.09 0.00 -0.47 0.00 0.00 55.73 55.42 1njq s ARG 36 Cb 0.00 0.07 0.55 0.00 -0.57 0.00 0.00 34.95 35.01 1njq s ARG 36 CO 0.00 -0.02 1.00 -0.11 -1.08 0.00 0.00 175.30 175.09