#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 2.36 0.12 -0.99 0.04 -1.26 -5.07 135.00 130.20 1njq s PRO 2 Ca 0.00 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 1njq s PRO 2 Cb 0.00 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1njq s PRO 2 CO 0.00 -1.61 0.10 -0.35 0.04 0.00 0.00 177.00 175.18 1njq n PRO 3 N -2.84 -1.51 -2.74 0.56 -0.04 -1.26 -4.83 135.00 122.35 1njq n PRO 3 Ca 0.11 -0.16 -0.05 0.00 -0.04 0.00 0.00 63.50 63.36 1njq n PRO 3 Cb 0.52 -0.16 0.01 0.00 -0.04 0.00 0.00 33.50 33.82 1njq n PRO 3 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1njq n ARG 4 N -1.97 -2.68 -1.27 0.54 1.74 -1.26 -4.93 116.66 106.82 1njq n ARG 4 Ca 0.01 2.30 0.14 0.00 -0.77 0.00 0.00 57.85 59.53 1njq n ARG 4 Cb 0.06 -5.38 -0.07 0.00 -1.02 0.00 0.00 32.46 26.04 1njq n ARG 4 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1njq n SER 5 N 0.06 -6.43 -4.38 0.55 3.41 -1.26 -4.99 113.62 100.58 1njq n SER 5 Ca 0.07 1.09 -0.30 0.00 -0.26 0.00 0.00 58.87 59.47 1njq n SER 5 Cb 0.27 -4.26 -0.14 0.00 -0.26 0.00 0.00 64.21 59.82 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 -4.19 2.40 -0.02 7.33 2.02 -0.06 -4.87 117.35 119.95 1njq s TYR 6 Ca 0.00 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 1njq s TYR 6 Cb 0.00 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 1njq s TYR 6 CO 0.00 0.14 -0.16 0.99 -1.57 0.00 0.00 175.55 174.96 1njq s THR 7 N -0.81 1.25 0.01 -0.71 2.01 -1.25 -0.21 115.64 115.92 1njq s THR 7 Ca 0.12 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1njq s THR 7 Cb -0.10 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1njq s THR 7 CO 0.02 0.36 1.11 0.00 -0.69 0.00 0.00 174.62 175.42 1njq n SER 9 N 4.19 2.17 0.03 0.00 3.41 -1.26 -1.65 113.62 120.51 1njq n SER 9 Ca 0.08 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1njq n SER 9 Cb 0.48 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.16 -0.17 0.18 7.33 -0.00 -1.26 -4.88 117.46 118.81 1njq n PHE 10 Ca 0.05 0.03 0.04 0.00 -0.00 0.00 0.00 57.45 57.58 1njq n PHE 10 Cb 0.48 0.08 0.06 0.00 -0.00 0.00 0.00 39.48 40.10 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 0.40 -1.81 -1.42 0.00 4.01 -0.66 -4.99 118.16 113.69 1njq n LYS 12 Ca 0.06 0.88 -0.34 0.00 -0.51 0.00 0.00 58.31 58.40 1njq n LYS 12 Cb 0.27 -5.46 0.09 0.00 -0.51 0.00 0.00 35.03 29.43 1njq n LYS 12 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1njq s ARG 13 N -4.74 2.13 -0.11 1.97 1.81 -1.25 -4.67 118.95 114.08 1njq s ARG 13 Ca 0.00 1.74 0.03 0.00 -1.72 0.00 0.00 55.73 55.77 1njq s ARG 13 Cb 0.00 -1.83 -0.01 0.00 -0.45 0.00 0.00 34.95 32.66 1njq s ARG 13 CO 0.00 -1.84 -0.20 -1.83 -0.68 0.00 0.00 175.30 170.75 1njq s GLU 14 N -3.94 3.13 -0.30 3.54 -1.05 -1.26 -1.47 118.70 117.35 1njq s GLU 14 Ca 0.74 -0.81 -0.05 0.00 -0.15 0.00 0.00 54.97 54.70 1njq s GLU 14 Cb -0.29 -2.42 0.19 0.00 -0.44 0.00 0.00 34.13 31.17 1njq s GLU 14 CO 0.46 0.21 0.78 -0.59 0.95 0.00 0.00 175.26 177.07 1njq s PHE 15 N 0.29 -1.18 0.44 4.83 -0.12 0.70 -5.01 117.98 117.93 1njq s PHE 15 Ca -0.14 1.19 0.22 0.00 -0.05 0.00 0.00 56.93 58.15 1njq s PHE 15 Cb -0.17 0.39 1.30 0.00 -0.63 0.00 0.00 43.02 43.91 1njq s PHE 15 CO 0.07 -0.65 2.05 0.07 -0.05 0.00 0.00 175.22 176.72 1njq h ARG 16 N 7.97 0.00 -5.67 1.99 0.11 -1.90 -0.13 114.38 116.76 1njq h ARG 16 Ca -0.18 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.31 1njq h ARG 16 Cb 1.17 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.15 1njq h ARG 16 CO 0.11 0.14 0.09 -1.54 0.10 0.00 0.00 179.97 178.86 1njq s SER 17 N -6.49 6.68 0.43 0.08 1.04 -1.26 -4.64 113.70 109.54 1njq s SER 17 Ca -0.03 0.83 0.17 0.00 0.48 0.00 0.00 55.95 57.40 1njq s SER 17 Cb 0.14 -2.34 1.09 0.00 0.10 0.00 0.00 66.02 65.01 1njq s SER 17 CO 0.63 -0.24 1.91 0.00 0.98 0.00 0.00 173.24 176.52 1njq h ALA 18 N 7.41 2.17 -0.41 5.32 0.00 -1.99 -1.79 119.26 129.97 1njq h ALA 18 Ca -0.33 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1njq h ALA 18 Cb 1.15 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1njq h ALA 18 CO 0.77 -0.38 -0.03 1.96 0.00 0.00 0.00 179.25 181.57 1njq h GLN 19 N 0.38 0.07 -0.11 0.00 4.20 -1.98 0.36 115.11 118.02 1njq h GLN 19 Ca 0.38 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.98 1njq h GLN 19 Cb 0.93 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1njq h GLN 19 CO -0.12 0.05 -0.35 0.00 -0.67 0.00 0.00 178.83 177.74 1njq h ALA 20 N 1.37 0.20 0.32 3.87 0.00 -1.76 -3.18 119.26 120.07 1njq h ALA 20 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1njq h ALA 20 Cb 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1njq h ALA 20 CO -0.36 0.27 -0.43 1.25 0.00 0.00 0.00 179.25 179.98 1njq h LEU 21 N 0.02 -1.21 0.11 0.00 6.46 -0.97 -0.27 115.31 119.45 1njq h LEU 21 Ca -0.01 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1njq h LEU 21 Cb 0.98 0.42 -0.03 0.00 -0.73 0.00 0.00 40.66 41.30 1njq h LEU 21 CO 0.08 -0.55 -0.21 1.23 -0.62 0.00 0.00 178.44 178.37 1njq h GLY 22 N -0.80 -0.37 1.93 3.75 0.00 -1.05 -0.99 103.07 105.54 1njq h GLY 22 Ca -0.02 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.56 1njq h GLY 22 CO -0.13 -0.19 0.02 -1.33 0.00 0.00 0.00 176.54 174.91 1njq h GLY 23 N -0.39 0.00 1.05 4.60 0.00 -1.52 -2.84 103.07 103.97 1njq h GLY 23 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.17 1njq h GLY 23 CO -0.12 0.00 -0.63 0.84 0.00 0.00 0.00 176.54 176.64 1njq h HIS 24 N 0.00 0.93 -0.22 5.60 6.17 0.31 -2.62 115.15 125.32 1njq h HIS 24 Ca 0.02 -0.39 -0.02 0.00 0.71 0.00 0.00 60.37 60.68 1njq h HIS 24 Cb 0.06 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.83 1njq h HIS 24 CO 0.00 1.20 0.05 1.98 0.71 0.00 0.00 177.93 181.88 1njq h MET 25 N 0.39 0.31 -0.66 5.26 -1.53 -1.20 -3.01 114.93 114.49 1njq h MET 25 Ca -0.03 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.22 1njq h MET 25 Cb 1.26 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 32.20 1njq h MET 25 CO 0.13 0.29 0.40 -0.97 0.14 0.00 0.00 176.91 176.90 1njq h ASN 26 N 0.31 0.65 0.34 1.39 -0.73 -1.42 -0.94 115.58 115.17 1njq h ASN 26 Ca 0.08 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 1njq h ASN 26 Cb 0.12 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 1njq h ASN 26 CO -0.00 0.44 -0.07 1.62 -0.37 0.00 0.00 177.43 179.05 1njq h VAL 27 N 0.78 0.38 0.00 2.57 3.04 -1.45 -3.27 116.25 118.30 1njq h VAL 27 Ca 0.27 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1njq h VAL 27 Cb 0.05 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1njq h VAL 27 CO -0.12 0.07 0.00 1.41 -1.01 0.00 0.00 177.57 177.92 1njq n HIS 28 N -3.49 0.00 -2.87 3.17 8.25 -0.70 -4.96 115.22 114.61 1njq n HIS 28 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1njq n HIS 28 Cb 0.20 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 1njq n HIS 28 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1njq n ARG 29 N -0.60 -2.65 -3.71 -0.41 3.00 -0.44 -4.95 116.66 106.91 1njq n ARG 29 Ca 0.00 0.28 -0.37 0.00 -0.00 0.00 0.00 57.85 57.75 1njq n ARG 29 Cb 0.00 -4.86 -0.12 0.00 0.00 0.00 0.00 32.46 27.48 1njq n ARG 29 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1njq s ARG 30 N -5.45 3.46 0.27 -0.14 0.52 -1.26 -4.96 118.95 111.40 1njq s ARG 30 Ca 0.17 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1njq s ARG 30 Cb -0.09 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1njq s ARG 30 CO 0.21 -0.31 0.00 -0.25 0.02 0.00 0.00 175.30 174.96 1njq n ASP 31 N 4.95 -6.84 0.00 0.23 8.00 -1.26 -4.79 116.55 116.83 1njq n ASP 31 Ca -0.15 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1njq n ASP 31 Cb 0.50 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 1njq n ASP 31 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1njq n ARG 32 N -3.49 0.00 -1.95 -1.24 3.00 -1.26 -4.81 116.66 106.92 1njq n ARG 32 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.79 1njq n ARG 32 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.10 1njq n ARG 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1njq n ALA 33 N 0.00 -1.53 0.00 7.54 0.00 -1.26 -1.42 120.51 123.83 1njq n ALA 33 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1njq n ALA 33 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1njq n ALA 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1njq n ARG 34 N 0.62 0.00 0.00 0.00 0.63 -1.26 -4.73 116.66 111.92 1njq n ARG 34 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1njq n ARG 34 Cb 0.27 -0.32 0.00 0.00 0.45 0.00 0.00 32.46 32.87 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 0.00 0.00 0.00 6.15 0.00 -0.51 -2.45 117.00 120.19 1njq n LEU 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1njq n LEU 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1njq n LEU 35 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 177.39 175.28 1njq n ARG 36 N 0.00 0.00 0.00 1.96 1.85 -1.26 -5.16 116.66 114.05 1njq n ARG 36 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1njq n ARG 36 Cb 0.00 -0.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.38 1njq n ARG 36 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09