#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 3.11 0.39 -2.67 0.04 -1.26 -4.95 135.00 129.66 1njq s PRO 2 Ca 0.00 1.55 0.23 0.00 0.04 0.00 0.00 61.00 62.82 1njq s PRO 2 Cb 0.00 -1.98 1.25 0.00 0.04 0.00 0.00 34.50 33.82 1njq s PRO 2 CO 0.00 -1.04 1.68 -1.00 0.04 0.00 0.00 177.00 176.69 1njq h PRO 3 N 0.74 0.00 -0.55 0.56 0.13 -2.06 -1.74 132.00 129.07 1njq h PRO 3 Ca -0.49 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.37 1njq h PRO 3 Cb 1.26 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.23 1njq h PRO 3 CO 0.56 0.00 0.15 0.54 -0.23 0.00 0.00 178.00 179.01 1njq n ARG 4 N -2.35 2.07 -3.58 0.86 3.00 -1.26 -4.99 116.66 110.40 1njq n ARG 4 Ca -0.02 -3.12 -0.09 0.00 -0.01 0.00 0.00 57.85 54.61 1njq n ARG 4 Cb 0.13 -1.94 -0.05 0.00 0.00 0.00 0.00 32.46 30.60 1njq n ARG 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1njq s SER 5 N -2.11 -0.32 0.15 0.55 0.15 -0.66 -4.74 113.70 106.73 1njq s SER 5 Ca 0.49 0.32 0.09 0.00 0.70 0.00 0.00 55.95 57.54 1njq s SER 5 Cb 0.43 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 1njq s SER 5 CO 0.04 -0.31 -0.12 -0.31 1.20 0.00 0.00 173.24 173.73 1njq s TYR 6 N -1.25 2.61 0.02 3.44 2.02 -0.43 -4.17 117.35 119.59 1njq s TYR 6 Ca 0.00 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1njq s TYR 6 Cb -0.01 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 1njq s TYR 6 CO -0.00 0.47 -0.04 0.99 -1.57 0.00 0.00 175.55 175.39 1njq s THR 7 N -1.50 0.28 -0.09 -0.71 2.01 -1.26 -0.33 115.64 114.04 1njq s THR 7 Ca 0.22 -0.57 -0.25 0.00 0.31 0.00 0.00 61.69 61.40 1njq s THR 7 Cb -0.09 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1njq s THR 7 CO 0.13 -0.20 0.80 0.00 -0.69 0.00 0.00 174.62 174.67 1njq n SER 9 N 4.30 2.94 0.01 0.00 3.41 -1.26 -1.70 113.62 121.32 1njq n SER 9 Ca 0.02 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 1njq n SER 9 Cb 0.50 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.28 -0.12 0.05 7.33 7.35 -1.26 -4.89 117.46 126.20 1njq n PHE 10 Ca 0.07 0.02 0.03 0.00 -0.76 0.00 0.00 57.45 56.81 1njq n PHE 10 Cb 0.62 0.28 0.06 0.00 0.35 0.00 0.00 39.48 40.78 1njq n PHE 10 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1njq n LYS 12 N 0.15 -1.90 -1.47 0.00 4.76 -0.69 -4.99 118.16 114.02 1njq n LYS 12 Ca 0.05 0.79 -0.33 0.00 -2.87 0.00 0.00 58.31 55.95 1njq n LYS 12 Cb 0.26 -5.36 0.08 0.00 -1.84 0.00 0.00 35.03 28.17 1njq n LYS 12 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1njq s ARG 13 N -4.75 2.26 -0.07 1.97 1.81 -1.25 -4.68 118.95 114.24 1njq s ARG 13 Ca 0.00 1.60 0.05 0.00 -1.72 0.00 0.00 55.73 55.66 1njq s ARG 13 Cb 0.00 -1.86 -0.01 0.00 -0.45 0.00 0.00 34.95 32.63 1njq s ARG 13 CO 0.00 -1.71 -0.23 -1.83 -0.68 0.00 0.00 175.30 170.85 1njq s GLU 14 N -4.07 2.58 -0.30 3.54 4.04 -1.26 -1.29 118.70 121.94 1njq s GLU 14 Ca 0.71 -0.84 -0.10 0.00 0.04 0.00 0.00 54.97 54.78 1njq s GLU 14 Cb -0.25 -2.09 0.18 0.00 0.02 0.00 0.00 34.13 31.98 1njq s GLU 14 CO 0.46 0.28 0.94 -0.59 -1.84 0.00 0.00 175.26 174.51 1njq s PHE 15 N 0.06 -0.79 0.46 4.83 -0.12 0.55 -5.00 117.98 117.96 1njq s PHE 15 Ca -0.09 0.81 0.17 0.00 -0.05 0.00 0.00 56.93 57.77 1njq s PHE 15 Cb -0.15 0.27 1.16 0.00 -0.63 0.00 0.00 43.02 43.66 1njq s PHE 15 CO 0.05 -0.44 2.04 0.07 -0.05 0.00 0.00 175.22 176.90 1njq h ARG 16 N 7.95 0.00 -5.74 1.99 0.11 -1.85 -1.12 114.38 115.71 1njq h ARG 16 Ca -0.15 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.35 1njq h ARG 16 Cb 1.17 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.17 1njq h ARG 16 CO -0.01 0.14 0.08 -1.54 0.10 0.00 0.00 179.97 178.73 1njq s SER 17 N -6.84 6.74 0.38 0.08 1.04 -1.26 -4.57 113.70 109.27 1njq s SER 17 Ca -0.04 0.90 0.14 0.00 0.48 0.00 0.00 55.95 57.43 1njq s SER 17 Cb 0.16 -2.35 0.98 0.00 0.10 0.00 0.00 66.02 64.90 1njq s SER 17 CO 0.67 -0.20 1.82 0.00 0.98 0.00 0.00 173.24 176.50 1njq h ALA 18 N 7.23 2.05 -0.48 5.32 0.00 -1.99 -1.25 119.26 130.14 1njq h ALA 18 Ca -0.35 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.69 1njq h ALA 18 Cb 1.16 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1njq h ALA 18 CO 0.77 -0.38 0.06 1.96 0.00 0.00 0.00 179.25 181.65 1njq h GLN 19 N 0.52 0.18 0.00 0.00 4.20 -1.98 -0.41 115.11 117.61 1njq h GLN 19 Ca 0.52 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1njq h GLN 19 Cb 1.14 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1njq h GLN 19 CO -0.25 0.12 -0.03 0.00 -0.67 0.00 0.00 178.83 177.99 1njq n ALA 20 N -2.56 2.39 -0.07 3.87 0.00 -0.50 -3.12 120.51 120.51 1njq n ALA 20 Ca 0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 1njq n ALA 20 Cb 0.24 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.61 1.81 0.01 0.00 0.00 -0.64 -3.55 117.00 113.02 1njq n LEU 21 Ca 0.07 0.63 -0.10 0.00 0.00 0.00 0.00 56.01 56.61 1njq n LEU 21 Cb 0.35 -0.88 -0.04 0.00 0.00 0.00 0.00 43.42 42.86 1njq n LEU 21 CO 0.28 -0.43 0.79 1.23 0.00 0.00 0.00 177.39 179.26 1njq h GLY 22 N -1.00 -0.03 1.63 -3.96 0.00 -1.22 -0.34 103.07 98.14 1njq h GLY 22 Ca -0.02 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1njq h GLY 22 CO -0.01 -0.11 0.18 -1.33 0.00 0.00 0.00 176.54 175.26 1njq h GLY 23 N -0.13 0.27 1.02 4.60 0.00 -1.77 -2.79 103.07 104.27 1njq h GLY 23 Ca 0.07 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 1njq h GLY 23 CO -0.18 0.08 -0.53 0.84 0.00 0.00 0.00 176.54 176.75 1njq h HIS 24 N 0.24 0.90 -0.22 5.60 6.17 -1.13 -2.54 115.15 124.15 1njq h HIS 24 Ca 0.11 -0.35 -0.02 0.00 0.71 0.00 0.00 60.37 60.82 1njq h HIS 24 Cb 0.15 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.92 1njq h HIS 24 CO -0.00 1.15 0.06 1.98 0.71 0.00 0.00 177.93 181.83 1njq h MET 25 N 0.39 0.31 -0.78 5.26 -1.53 -1.11 -3.01 114.93 114.47 1njq h MET 25 Ca -0.01 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.24 1njq h MET 25 Cb 1.15 -0.06 -0.05 0.00 -0.55 0.00 0.00 31.60 32.09 1njq h MET 25 CO 0.11 0.29 0.50 -0.97 0.14 0.00 0.00 176.91 176.98 1njq h ASN 26 N 0.31 0.82 0.39 1.39 -0.73 -1.31 -1.20 115.58 115.26 1njq h ASN 26 Ca 0.08 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.23 1njq h ASN 26 Cb 0.12 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.53 1njq h ASN 26 CO -0.00 0.56 -0.08 1.62 -0.37 0.00 0.00 177.43 179.16 1njq h VAL 27 N 0.96 0.40 0.00 2.57 3.04 -1.43 -3.31 116.25 118.48 1njq h VAL 27 Ca 0.31 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1njq h VAL 27 Cb 0.01 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1njq h VAL 27 CO -0.11 0.08 0.00 1.41 -1.01 0.00 0.00 177.57 177.93 1njq n HIS 28 N -3.49 0.00 0.00 3.17 8.25 -0.72 -5.10 115.22 117.34 1njq n HIS 28 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1njq n HIS 28 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.35 0.00 -2.23 -0.41 1.74 -0.53 -5.12 116.66 109.75 1njq n ARG 29 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1njq n ARG 29 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1njq n ARG 29 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1njq s ARG 30 N 0.00 4.42 0.27 5.56 1.04 -1.25 -4.98 118.95 124.00 1njq s ARG 30 Ca 0.00 2.05 -0.30 0.00 -1.04 0.00 0.00 55.73 56.44 1njq s ARG 30 Cb 0.00 -3.17 -0.10 0.00 -2.04 0.00 0.00 34.95 29.64 1njq s ARG 30 CO 0.00 -0.17 1.45 0.16 -0.04 0.00 0.00 175.30 176.69 1njq s ASP 31 N 0.01 6.62 -0.15 -2.89 -4.77 -1.26 -4.53 116.67 109.70 1njq s ASP 31 Ca 0.53 2.72 -0.10 0.00 -3.30 0.00 0.00 52.55 52.40 1njq s ASP 31 Cb -0.36 -2.63 0.04 0.00 -1.09 0.00 0.00 42.92 38.88 1njq s ASP 31 CO 0.42 -0.72 0.20 -1.14 0.70 0.00 0.00 175.17 174.63 1njq n ARG 32 N 2.09 -3.80 -4.84 2.11 0.63 -1.26 -5.07 116.66 106.52 1njq n ARG 32 Ca 0.06 2.95 -0.33 0.00 -0.92 0.00 0.00 57.85 59.61 1njq n ARG 32 Cb 0.40 -4.33 -0.13 0.00 0.45 0.00 0.00 32.46 28.85 1njq n ARG 32 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1njq s ALA 33 N -0.54 2.68 0.00 5.13 0.00 -1.26 -4.92 121.76 122.85 1njq s ALA 33 Ca -0.24 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1njq s ALA 33 Cb 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1njq s ALA 33 CO 0.64 0.48 0.00 -2.13 0.00 0.00 0.00 175.76 174.75 1njq n ARG 34 N 2.60 0.00 -3.04 0.00 0.63 -1.26 -5.11 116.66 110.47 1njq n ARG 34 Ca -0.17 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.63 1njq n ARG 34 Cb 0.52 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.45 1njq n ARG 34 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1njq n LEU 35 N -2.33 -6.57 -4.14 6.15 7.94 -1.26 -5.03 117.00 111.76 1njq n LEU 35 Ca 0.00 0.23 -0.30 0.00 -1.11 0.00 0.00 56.01 54.83 1njq n LEU 35 Cb 0.00 -3.02 -0.17 0.00 0.53 0.00 0.00 43.42 40.76 1njq n LEU 35 CO 0.00 -1.61 -0.53 -0.60 -1.11 0.00 0.00 177.39 173.54 1njq s ARG 36 N -2.79 2.62 0.00 1.96 3.00 -1.26 -5.37 118.95 117.11 1njq s ARG 36 Ca 0.21 -0.72 0.00 0.00 -1.00 0.00 0.00 55.73 54.22 1njq s ARG 36 Cb -0.05 -2.08 0.00 0.00 0.00 0.00 0.00 34.95 32.82 1njq s ARG 36 CO 0.79 0.05 0.26 -0.11 0.00 0.00 0.00 175.30 176.29