#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 3.66 -1.12 -0.99 0.04 -1.26 -4.93 135.00 130.40 1njq s PRO 2 Ca 0.00 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 1njq s PRO 2 Cb 0.00 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 32.07 1njq s PRO 2 CO 0.00 -0.67 1.93 -0.35 0.04 0.00 0.00 177.00 177.96 1njq n PRO 3 N -0.53 2.06 -3.03 0.56 -0.04 -1.26 -4.63 135.00 128.13 1njq n PRO 3 Ca 0.08 -2.46 -0.08 0.00 -0.04 0.00 0.00 63.50 61.00 1njq n PRO 3 Cb 0.47 -3.37 -0.02 0.00 -0.04 0.00 0.00 33.50 30.54 1njq n PRO 3 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1njq s ARG 4 N 5.11 0.94 0.58 0.54 3.52 -1.26 -5.12 118.95 123.25 1njq s ARG 4 Ca 0.59 -1.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1njq s ARG 4 Cb 0.07 -0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.16 1njq s ARG 4 CO 0.09 -1.29 0.00 0.43 -0.81 0.00 0.00 175.30 173.72 1njq n SER 5 N 3.42 -7.17 -4.33 -2.12 7.64 -1.26 -5.00 113.62 104.79 1njq n SER 5 Ca 0.17 1.35 -0.27 0.00 1.01 0.00 0.00 58.87 61.13 1njq n SER 5 Cb 0.54 -4.73 -0.13 0.00 -1.01 0.00 0.00 64.21 58.87 1njq n SER 5 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1njq s TYR 6 N -4.44 2.09 0.03 1.43 2.02 -0.37 -4.87 117.35 113.24 1njq s TYR 6 Ca 0.00 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1njq s TYR 6 Cb 0.00 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 1njq s TYR 6 CO 0.00 0.23 -0.10 0.99 -1.57 0.00 0.00 175.55 175.10 1njq s THR 7 N -1.01 0.76 -0.02 -0.71 2.01 -1.26 -0.24 115.64 115.17 1njq s THR 7 Ca 0.10 -0.80 -0.27 0.00 0.31 0.00 0.00 61.69 61.03 1njq s THR 7 Cb -0.10 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1njq s THR 7 CO 0.04 -0.06 0.86 0.00 -0.69 0.00 0.00 174.62 174.77 1njq n SER 9 N 3.81 2.07 0.00 0.00 3.41 -1.26 -1.70 113.62 119.95 1njq n SER 9 Ca 0.03 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1njq n SER 9 Cb 0.51 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.13 0.00 0.02 7.33 7.35 -1.26 -4.86 117.46 126.17 1njq n PHE 10 Ca 0.06 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.76 1njq n PHE 10 Cb 0.47 0.07 0.03 0.00 0.35 0.00 0.00 39.48 40.41 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 -0.04 -1.60 -1.63 0.00 3.00 -0.69 -4.99 118.16 112.21 1njq n LYS 12 Ca 0.03 0.90 -0.34 0.00 -0.00 0.00 0.00 58.31 58.90 1njq n LYS 12 Cb 0.22 -5.34 0.07 0.00 0.00 0.00 0.00 35.03 29.98 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 -4.04 2.52 -0.05 1.64 1.81 -1.25 -4.63 118.95 114.95 1njq s ARG 13 Ca 0.00 1.57 0.06 0.00 -1.72 0.00 0.00 55.73 55.64 1njq s ARG 13 Cb 0.00 -1.90 -0.01 0.00 -0.45 0.00 0.00 34.95 32.59 1njq s ARG 13 CO 0.00 -1.50 -0.24 -1.83 -0.68 0.00 0.00 175.30 171.05 1njq s GLU 14 N -3.97 2.42 -0.30 3.54 4.04 -1.26 -0.98 118.70 122.19 1njq s GLU 14 Ca 0.71 -0.88 -0.11 0.00 0.04 0.00 0.00 54.97 54.73 1njq s GLU 14 Cb -0.25 -2.09 0.18 0.00 0.02 0.00 0.00 34.13 31.99 1njq s GLU 14 CO 0.42 0.39 0.96 -0.59 -1.84 0.00 0.00 175.26 174.60 1njq s PHE 15 N -0.21 -0.75 0.37 4.83 -0.12 0.66 -5.00 117.98 117.76 1njq s PHE 15 Ca -0.02 0.81 0.10 0.00 -0.05 0.00 0.00 56.93 57.77 1njq s PHE 15 Cb -0.13 0.27 0.72 0.00 -0.63 0.00 0.00 43.02 43.24 1njq s PHE 15 CO 0.03 -0.41 1.85 -0.09 -0.05 0.00 0.00 175.22 176.55 1njq h ARG 16 N 7.99 0.15 -6.27 1.99 2.43 -1.90 -0.97 114.38 117.80 1njq h ARG 16 Ca -0.16 -0.05 -0.56 0.00 -0.81 0.00 0.00 59.98 58.41 1njq h ARG 16 Cb 1.17 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1njq h ARG 16 CO -0.02 0.41 0.59 -1.54 -1.51 0.00 0.00 179.97 177.89 1njq s SER 17 N -6.91 7.21 0.28 -3.80 1.04 -1.26 -4.58 113.70 105.68 1njq s SER 17 Ca -0.04 1.58 0.01 0.00 0.48 0.00 0.00 55.95 57.98 1njq s SER 17 Cb 0.15 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 64.28 1njq s SER 17 CO 0.74 -0.47 1.81 0.00 0.98 0.00 0.00 173.24 176.29 1njq h ALA 18 N 7.15 1.47 -0.72 5.32 0.00 -1.99 -1.81 119.26 128.69 1njq h ALA 18 Ca -0.32 0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.76 1njq h ALA 18 Cb 1.15 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 1njq h ALA 18 CO 0.86 0.11 -0.33 1.96 0.00 0.00 0.00 179.25 181.84 1njq h GLN 19 N 0.87 -0.10 -0.15 0.00 7.50 -1.99 -0.23 115.11 121.01 1njq h GLN 19 Ca 0.50 0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.58 1njq h GLN 19 Cb 0.59 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.14 1njq h GLN 19 CO -0.30 -0.07 -0.21 0.00 -1.50 0.00 0.00 178.83 176.75 1njq h ALA 20 N 1.18 0.22 0.44 3.87 0.00 -1.76 -3.08 119.26 120.13 1njq h ALA 20 Ca 0.28 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1njq h ALA 20 Cb 0.57 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1njq h ALA 20 CO -0.78 0.16 -0.47 1.25 0.00 0.00 0.00 179.25 179.42 1njq h LEU 21 N 0.01 -1.29 0.20 0.00 6.46 -0.97 0.33 115.31 120.05 1njq h LEU 21 Ca 0.01 0.11 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1njq h LEU 21 Cb 0.77 0.43 -0.02 0.00 -0.73 0.00 0.00 40.66 41.11 1njq h LEU 21 CO 0.05 -0.62 -0.24 1.23 -0.62 0.00 0.00 178.44 178.24 1njq h GLY 22 N -0.92 -0.50 1.90 3.75 0.00 -1.15 -1.19 103.07 104.96 1njq h GLY 22 Ca -0.05 0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.57 1njq h GLY 22 CO -0.08 -0.22 0.04 -1.33 0.00 0.00 0.00 176.54 174.95 1njq h GLY 23 N -0.49 0.00 0.91 4.60 0.00 -1.45 -2.79 103.07 103.86 1njq h GLY 23 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1njq h GLY 23 CO -0.08 0.00 -0.45 0.84 0.00 0.00 0.00 176.54 176.85 1njq h HIS 24 N 0.00 0.75 0.00 5.60 6.17 0.31 -2.79 115.15 125.19 1njq h HIS 24 Ca 0.02 -0.30 -0.04 0.00 0.71 0.00 0.00 60.37 60.76 1njq h HIS 24 Cb 0.10 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 29.89 1njq h HIS 24 CO 0.00 1.06 -0.21 1.98 0.71 0.00 0.00 177.93 181.47 1njq h MET 25 N 0.22 0.00 -0.92 5.26 -1.53 -1.18 -2.81 114.93 113.96 1njq h MET 25 Ca -0.01 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1njq h MET 25 Cb 1.07 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.07 1njq h MET 25 CO 0.10 0.21 0.61 -0.97 0.14 0.00 0.00 176.91 177.00 1njq h ASN 26 N 0.00 1.05 0.59 1.39 -1.24 -1.43 -0.88 115.58 115.06 1njq h ASN 26 Ca -0.00 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 1njq h ASN 26 Cb 0.42 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.21 1njq h ASN 26 CO 0.03 0.76 -0.09 1.62 -1.29 0.00 0.00 177.43 178.46 1njq h VAL 27 N 1.24 0.32 0.00 2.57 3.04 -1.40 -3.34 116.25 118.68 1njq h VAL 27 Ca 0.34 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1njq h VAL 27 Cb -0.13 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1njq h VAL 27 CO -0.08 0.09 0.00 1.41 -1.01 0.00 0.00 177.57 177.98 1njq n HIS 28 N -3.36 0.00 0.00 3.17 8.25 -0.81 -5.09 115.22 117.37 1njq n HIS 28 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1njq n HIS 28 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.39 0.00 -3.25 -0.41 1.74 -0.40 -5.12 116.66 108.83 1njq n ARG 29 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1njq n ARG 29 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1njq n ARG 29 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1njq s ARG 30 N 0.00 0.89 -0.15 5.56 3.00 -1.23 -4.92 118.95 122.10 1njq s ARG 30 Ca 0.00 -1.71 -0.30 0.00 -1.00 0.00 0.00 55.73 52.71 1njq s ARG 30 Cb 0.00 -1.04 0.13 0.00 0.00 0.00 0.00 34.95 34.04 1njq s ARG 30 CO 0.00 -1.35 1.04 0.16 0.00 0.00 0.00 175.30 175.16 1njq s ASP 31 N 0.43 -0.30 0.79 -2.12 -4.77 -1.26 -4.85 116.67 104.59 1njq s ASP 31 Ca 0.30 0.23 -0.13 0.00 -3.30 0.00 0.00 52.55 49.65 1njq s ASP 31 Cb -0.00 0.27 0.07 0.00 -1.09 0.00 0.00 42.92 42.17 1njq s ASP 31 CO -0.14 -0.35 1.18 0.00 0.70 0.00 0.00 175.17 176.57 1njq s ARG 32 N -1.65 1.81 0.73 2.11 1.70 -1.26 -5.03 118.95 117.35 1njq s ARG 32 Ca 0.02 1.66 -0.16 0.00 -0.47 0.00 0.00 55.73 56.78 1njq s ARG 32 Cb -0.01 -1.81 0.02 0.00 -0.57 0.00 0.00 34.95 32.59 1njq s ARG 32 CO -0.02 -2.06 1.09 0.00 -1.08 0.00 0.00 175.30 173.22 1njq n ALA 33 N -3.23 0.10 -0.63 7.88 0.00 -1.26 -4.70 120.51 118.67 1njq n ALA 33 Ca 0.13 -0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1njq n ALA 33 Cb 0.51 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 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 -2.18 -1.39 0.00 0.00 0.63 -1.26 -4.91 116.66 107.55 1njq n ARG 34 Ca 0.14 1.05 0.00 0.00 -0.92 0.00 0.00 57.85 58.12 1njq n ARG 34 Cb 0.49 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1njq n ARG 34 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1njq n LEU 35 N -3.26 0.00 0.00 6.15 4.32 -1.26 -4.96 117.00 117.99 1njq n LEU 35 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1njq n LEU 35 Cb 0.30 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1njq n LEU 35 CO 0.01 0.00 0.00 -2.11 -1.22 0.00 0.00 177.39 174.07 1njq n ARG 36 N 0.00 0.00 0.00 3.23 1.85 -1.26 -5.24 116.66 115.24 1njq n ARG 36 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.86 1njq n ARG 36 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 1njq n ARG 36 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09