#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 3.87 0.45 -0.99 0.04 -1.24 -4.95 135.00 132.17 1njq s PRO 2 Ca 0.00 1.61 0.30 0.00 0.04 0.00 0.00 61.00 62.95 1njq s PRO 2 Cb 0.00 -2.37 1.61 0.00 0.04 0.00 0.00 34.50 33.78 1njq s PRO 2 CO 0.00 -0.42 1.93 -1.00 0.04 0.00 0.00 177.00 177.55 1njq h PRO 3 N 2.05 0.00 -0.08 0.56 0.13 -2.06 -2.76 132.00 129.85 1njq h PRO 3 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1njq h PRO 3 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1njq h PRO 3 CO 0.60 0.00 -0.27 -2.13 -0.23 0.00 0.00 178.00 175.98 1njq n ARG 4 N -2.57 1.63 -3.64 0.86 3.00 -1.26 -5.03 116.66 109.64 1njq n ARG 4 Ca -0.02 -3.07 -0.02 0.00 -0.00 0.00 0.00 57.85 54.74 1njq n ARG 4 Cb 0.07 -1.64 -0.03 0.00 0.00 0.00 0.00 32.46 30.86 1njq n ARG 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1njq s SER 5 N -2.95 -0.03 0.08 6.15 0.01 -1.04 -4.78 113.70 111.14 1njq s SER 5 Ca 0.38 0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.72 1njq s SER 5 Cb 0.35 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1njq s SER 5 CO -0.02 -0.04 -0.08 -0.31 0.41 0.00 0.00 173.24 173.20 1njq s TYR 6 N -1.41 2.80 0.00 2.43 2.02 -0.56 -3.70 117.35 118.93 1njq s TYR 6 Ca 0.10 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 1njq s TYR 6 Cb -0.01 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 40.06 1njq s TYR 6 CO -0.06 0.42 -0.05 0.99 -1.57 0.00 0.00 175.55 175.28 1njq s THR 7 N -1.18 0.40 -0.12 -0.71 2.01 -1.25 -0.41 115.64 114.37 1njq s THR 7 Ca 0.21 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 1njq s THR 7 Cb -0.11 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1njq s THR 7 CO 0.13 0.04 0.98 0.00 -0.69 0.00 0.00 174.62 175.08 1njq n SER 9 N 5.12 1.91 0.00 0.00 7.64 -1.26 -1.67 113.62 125.36 1njq n SER 9 Ca 0.08 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.44 1njq n SER 9 Cb 0.49 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1njq n SER 9 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1njq n PHE 10 N 0.50 -0.04 0.04 1.43 7.35 -1.26 -4.88 117.46 120.59 1njq n PHE 10 Ca 0.00 0.01 0.02 0.00 -0.76 0.00 0.00 57.45 56.72 1njq n PHE 10 Cb 0.33 0.30 0.04 0.00 0.35 0.00 0.00 39.48 40.51 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 0.05 -3.25 -2.23 0.00 4.01 -0.67 -4.99 118.16 111.07 1njq n LYS 12 Ca 0.04 0.59 -0.33 0.00 -0.51 0.00 0.00 58.31 58.09 1njq n LYS 12 Cb 0.23 -5.28 -0.01 0.00 -0.51 0.00 0.00 35.03 29.46 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 -5.64 3.49 -0.08 1.97 1.81 -1.25 -4.69 118.95 114.56 1njq s ARG 13 Ca 0.25 1.28 0.04 0.00 -1.72 0.00 0.00 55.73 55.59 1njq s ARG 13 Cb -0.13 -2.05 -0.01 0.00 -0.45 0.00 0.00 34.95 32.31 1njq s ARG 13 CO 0.31 -0.68 -0.22 -1.83 -0.68 0.00 0.00 175.30 172.20 1njq s GLU 14 N -3.73 2.82 -0.30 3.54 4.04 -1.26 -0.83 118.70 122.98 1njq s GLU 14 Ca 0.65 -0.85 -0.09 0.00 0.04 0.00 0.00 54.97 54.72 1njq s GLU 14 Cb -0.17 -2.29 0.18 0.00 0.02 0.00 0.00 34.13 31.88 1njq s GLU 14 CO 0.30 0.31 0.95 -0.59 -1.84 0.00 0.00 175.26 174.39 1njq s PHE 15 N 0.02 -0.78 0.52 4.83 -0.12 0.45 -5.01 117.98 117.89 1njq s PHE 15 Ca -0.08 0.63 0.17 0.00 -0.05 0.00 0.00 56.93 57.60 1njq s PHE 15 Cb -0.15 0.20 1.28 0.00 -0.63 0.00 0.00 43.02 43.72 1njq s PHE 15 CO 0.05 -0.44 2.14 0.07 -0.05 0.00 0.00 175.22 176.99 1njq h ARG 16 N 7.72 0.00 -5.89 1.99 0.11 -1.87 -1.49 114.38 114.97 1njq h ARG 16 Ca -0.11 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.39 1njq h ARG 16 Cb 1.18 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.18 1njq h ARG 16 CO -0.03 0.02 0.33 -1.54 0.10 0.00 0.00 179.97 178.84 1njq s SER 17 N -7.00 6.90 0.41 0.08 1.04 -1.26 -4.56 113.70 109.31 1njq s SER 17 Ca -0.05 1.10 0.17 0.00 0.48 0.00 0.00 55.95 57.66 1njq s SER 17 Cb 0.17 -2.43 1.07 0.00 0.10 0.00 0.00 66.02 64.93 1njq s SER 17 CO 0.66 -0.37 1.82 0.00 0.98 0.00 0.00 173.24 176.34 1njq h ALA 18 N 7.35 2.19 -0.66 5.32 0.00 -1.99 -0.99 119.26 130.49 1njq h ALA 18 Ca -0.30 0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.77 1njq h ALA 18 Cb 1.13 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1njq h ALA 18 CO 0.82 -0.52 0.18 1.96 0.00 0.00 0.00 179.25 181.69 1njq h GLN 19 N 0.42 0.31 -0.01 0.00 1.08 -1.98 -1.01 115.11 113.91 1njq h GLN 19 Ca 0.52 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.70 1njq h GLN 19 Cb 1.28 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1njq h GLN 19 CO -0.22 0.20 -0.09 0.00 -0.95 0.00 0.00 178.83 177.77 1njq n ALA 20 N -2.58 2.74 -0.09 3.87 0.00 -0.41 -3.50 120.51 120.55 1njq n ALA 20 Ca 0.11 -0.47 -0.09 0.00 0.00 0.00 0.00 53.44 52.99 1njq n ALA 20 Cb 0.36 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 0.07 1.88 0.04 0.00 0.00 -0.54 -3.59 117.00 114.86 1njq n LEU 21 Ca 0.16 0.48 -0.11 0.00 0.00 0.00 0.00 56.01 56.54 1njq n LEU 21 Cb 0.39 -0.82 -0.04 0.00 0.00 0.00 0.00 43.42 42.94 1njq n LEU 21 CO 0.19 -0.26 0.77 1.23 0.00 0.00 0.00 177.39 179.33 1njq h GLY 22 N -1.00 -0.14 1.67 -3.96 0.00 -1.39 -0.44 103.07 97.81 1njq h GLY 22 Ca -0.08 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.46 1njq h GLY 22 CO -0.05 -0.14 0.12 -1.33 0.00 0.00 0.00 176.54 175.15 1njq h GLY 23 N -0.21 0.00 1.07 4.60 0.00 -1.78 -2.66 103.07 104.09 1njq h GLY 23 Ca 0.06 -0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.18 1njq h GLY 23 CO -0.15 0.00 -0.74 0.84 0.00 0.00 0.00 176.54 176.48 1njq h HIS 24 N 0.00 0.93 -0.04 5.60 6.17 -1.16 -2.75 115.15 123.91 1njq h HIS 24 Ca 0.08 -0.44 -0.03 0.00 0.71 0.00 0.00 60.37 60.69 1njq h HIS 24 Cb 0.31 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.10 1njq h HIS 24 CO -0.00 1.26 -0.11 1.98 0.71 0.00 0.00 177.93 181.77 1njq h MET 25 N 0.34 0.06 -0.97 5.26 -1.53 -1.05 -2.71 114.93 114.34 1njq h MET 25 Ca -0.07 -0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1njq h MET 25 Cb 1.39 -0.01 -0.06 0.00 -0.55 0.00 0.00 31.60 32.38 1njq h MET 25 CO 0.15 0.17 0.64 -0.97 0.14 0.00 0.00 176.91 177.04 1njq h ASN 26 N 0.06 1.05 0.61 1.39 -1.24 -1.32 0.12 115.58 116.25 1njq h ASN 26 Ca 0.01 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1njq h ASN 26 Cb 0.23 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1njq h ASN 26 CO 0.01 0.72 0.00 0.55 -1.29 0.00 0.00 177.43 177.43 1njq n VAL 27 N -4.44 0.88 -0.04 2.57 3.14 -1.02 -3.40 118.33 116.01 1njq n VAL 27 Ca 0.13 0.30 -0.03 0.00 -2.96 0.00 0.00 64.34 61.78 1njq n VAL 27 Cb 0.10 -1.24 -0.01 0.00 -1.06 0.00 0.00 33.84 31.63 1njq n VAL 27 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1njq n HIS 28 N -2.20 0.33 -2.91 1.45 8.25 -0.50 -5.10 115.22 114.53 1njq n HIS 28 Ca 0.02 0.14 -0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1njq n HIS 28 Cb 0.20 -0.44 0.01 0.00 1.12 0.00 0.00 29.99 30.88 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 -3.54 -2.53 -3.86 -0.41 0.63 0.30 -5.05 116.66 102.20 1njq n ARG 29 Ca -0.05 2.16 -0.30 0.00 -0.92 0.00 0.00 57.85 58.73 1njq n ARG 29 Cb 0.19 -4.52 -0.15 0.00 0.45 0.00 0.00 32.46 28.43 1njq n ARG 29 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1njq s ARG 30 N -1.96 1.15 0.02 -0.14 3.00 -1.26 -5.11 118.95 114.65 1njq s ARG 30 Ca 0.12 -1.16 0.00 0.00 -1.00 0.00 0.00 55.73 53.70 1njq s ARG 30 Cb -0.03 -2.44 -0.01 0.00 0.00 0.00 0.00 34.95 32.46 1njq s ARG 30 CO 0.68 -0.82 -0.03 0.34 0.00 0.00 0.00 175.30 175.47 1njq s ASP 31 N 1.42 0.32 -0.04 -2.12 -1.08 -1.26 -5.09 116.67 108.82 1njq s ASP 31 Ca 0.04 -0.36 -0.03 0.00 -0.52 0.00 0.00 52.55 51.68 1njq s ASP 31 Cb -0.18 0.05 -0.02 0.00 -1.46 0.00 0.00 42.92 41.31 1njq s ASP 31 CO -0.14 -0.19 -0.07 -2.11 0.52 0.00 0.00 175.17 173.18 1njq n ARG 32 N 2.02 0.11 -3.58 4.34 1.85 -1.26 -5.09 116.66 115.05 1njq n ARG 32 Ca -0.20 0.05 -0.01 0.00 -1.00 0.00 0.00 57.85 56.69 1njq n ARG 32 Cb 0.56 -0.69 -0.06 0.00 -1.05 0.00 0.00 32.46 31.22 1njq n ARG 32 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1njq s ALA 33 N -2.11 -2.39 -0.13 2.89 0.00 -1.26 -5.10 121.76 113.66 1njq s ALA 33 Ca -0.07 2.17 -0.13 0.00 0.00 0.00 0.00 51.96 53.92 1njq s ALA 33 Cb 0.03 -1.80 -0.11 0.00 0.00 0.00 0.00 23.12 21.24 1njq s ALA 33 CO 0.09 -0.50 0.21 -0.09 0.00 0.00 0.00 175.76 175.47 1njq h ARG 34 N 6.43 0.00 -5.99 0.00 2.43 -2.04 -3.50 114.38 111.71 1njq h ARG 34 Ca -0.25 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.73 1njq h ARG 34 Cb 1.17 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1njq h ARG 34 CO 0.17 0.42 -0.92 1.28 -1.51 0.00 0.00 179.97 179.41 1njq n LEU 35 N -4.65 -4.96 -4.09 3.80 7.99 -1.26 -5.00 117.00 108.83 1njq n LEU 35 Ca -0.09 0.23 -0.33 0.00 -0.01 0.00 0.00 56.01 55.82 1njq n LEU 35 Cb 0.28 -2.38 -0.14 0.00 -0.11 0.00 0.00 43.42 41.07 1njq n LEU 35 CO 0.14 -1.18 -0.37 -0.60 -1.51 0.00 0.00 177.39 173.87 1njq s ARG 36 N -2.36 2.07 0.00 3.23 3.52 -1.26 -5.34 118.95 118.82 1njq s ARG 36 Ca 0.29 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.37 1njq s ARG 36 Cb -0.05 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1njq s ARG 36 CO 0.77 -0.73 0.00 -0.11 -0.81 0.00 0.00 175.30 174.42