#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 4.48 -1.16 5.87 0.04 -1.26 -4.97 135.00 138.00 1njq s PRO 2 Ca 0.00 1.42 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 1njq s PRO 2 Cb 0.00 -2.77 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 1njq s PRO 2 CO 0.00 0.16 1.90 -1.25 0.04 0.00 0.00 177.00 177.86 1njq s PRO 3 N -2.11 2.69 0.04 0.56 0.04 -1.26 -4.81 135.00 130.15 1njq s PRO 3 Ca 0.52 -1.15 -0.25 0.00 0.04 0.00 0.00 61.00 60.16 1njq s PRO 3 Cb -0.21 -5.26 0.06 0.00 0.04 0.00 0.00 34.50 29.14 1njq s PRO 3 CO 0.26 -3.68 0.58 0.50 0.04 0.00 0.00 177.00 174.71 1njq s ARG 4 N 6.25 1.09 0.31 4.56 3.52 -1.26 -5.17 118.95 128.25 1njq s ARG 4 Ca 0.66 -0.13 -0.28 0.00 -0.13 0.00 0.00 55.73 55.86 1njq s ARG 4 Cb -0.01 0.50 -0.09 0.00 -1.56 0.00 0.00 34.95 33.79 1njq s ARG 4 CO 0.10 -0.40 1.10 0.45 -0.81 0.00 0.00 175.30 175.74 1njq s SER 5 N -1.88 7.11 0.15 -2.12 0.15 -1.26 -4.67 113.70 111.19 1njq s SER 5 Ca -0.06 2.24 0.11 0.00 0.70 0.00 0.00 55.95 58.94 1njq s SER 5 Cb -0.01 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1njq s SER 5 CO -0.00 -0.25 -0.24 -0.31 1.20 0.00 0.00 173.24 173.64 1njq s TYR 6 N -1.27 2.35 -0.01 3.44 2.02 -0.47 -4.91 117.35 118.51 1njq s TYR 6 Ca 0.48 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1njq s TYR 6 Cb -0.30 -1.23 -0.00 0.00 -0.40 0.00 0.00 41.96 40.03 1njq s TYR 6 CO 0.39 0.41 0.03 0.99 -1.57 0.00 0.00 175.55 175.80 1njq s THR 7 N -1.33 0.03 0.22 -0.71 2.01 -1.26 -0.22 115.64 114.38 1njq s THR 7 Ca 0.18 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 1njq s THR 7 Cb -0.09 -0.12 -0.08 0.00 0.01 0.00 0.00 72.50 72.21 1njq s THR 7 CO 0.08 -0.12 0.98 0.00 -0.69 0.00 0.00 174.62 174.87 1njq n SER 9 N 1.72 2.04 -0.02 0.00 3.41 -1.26 -2.19 113.62 117.31 1njq n SER 9 Ca -0.01 -2.15 -0.05 0.00 -0.26 0.00 0.00 58.87 56.40 1njq n SER 9 Cb 0.47 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.00 0.25 7.33 -0.00 -1.26 -4.82 117.46 119.23 1njq n PHE 10 Ca 0.10 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.58 1njq n PHE 10 Cb 0.39 -0.17 0.02 0.00 -0.00 0.00 0.00 39.48 39.72 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 0.13 -1.99 -1.73 0.00 3.00 -0.93 -4.99 118.16 111.64 1njq n LYS 12 Ca 0.03 0.77 -0.34 0.00 -0.00 0.00 0.00 58.31 58.77 1njq n LYS 12 Cb 0.14 -5.38 0.06 0.00 0.00 0.00 0.00 35.03 29.85 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 -4.96 2.64 -0.09 1.64 0.52 -1.26 -4.66 118.95 112.78 1njq s ARG 13 Ca 0.00 1.62 0.04 0.00 -0.52 0.00 0.00 55.73 56.87 1njq s ARG 13 Cb 0.00 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1njq s ARG 13 CO 0.00 -1.42 -0.22 -1.83 0.02 0.00 0.00 175.30 171.85 1njq s GLU 14 N -3.82 2.72 -0.30 3.54 4.04 -1.26 -1.22 118.70 122.40 1njq s GLU 14 Ca 0.72 -0.81 -0.07 0.00 0.04 0.00 0.00 54.97 54.86 1njq s GLU 14 Cb -0.26 -2.12 0.17 0.00 0.02 0.00 0.00 34.13 31.95 1njq s GLU 14 CO 0.40 0.19 0.75 -0.59 -1.84 0.00 0.00 175.26 174.17 1njq s PHE 15 N 0.29 -1.24 0.13 4.83 -0.12 0.69 -5.01 117.98 117.56 1njq s PHE 15 Ca -0.15 1.52 -0.18 0.00 -0.05 0.00 0.00 56.93 58.06 1njq s PHE 15 Cb -0.17 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1njq s PHE 15 CO 0.07 -0.66 1.78 0.00 -0.05 0.00 0.00 175.22 176.36 1njq h ARG 16 N 7.95 0.39 -6.26 1.99 -0.00 -1.83 -1.24 114.38 115.38 1njq h ARG 16 Ca -0.19 -0.03 -0.56 0.00 -0.50 0.00 0.00 59.98 58.70 1njq h ARG 16 Cb 1.15 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 31.01 1njq h ARG 16 CO 0.14 0.28 1.12 -1.54 0.00 0.00 0.00 179.97 179.98 1njq s SER 17 N -5.50 6.45 0.43 7.04 1.04 -1.26 -4.52 113.70 117.37 1njq s SER 17 Ca -0.13 1.82 0.24 0.00 0.48 0.00 0.00 55.95 58.36 1njq s SER 17 Cb 0.09 -2.53 1.25 0.00 0.10 0.00 0.00 66.02 64.93 1njq s SER 17 CO 0.71 -1.17 1.73 0.00 0.98 0.00 0.00 173.24 175.49 1njq h ALA 18 N 10.46 2.48 -0.82 5.32 0.00 -1.96 0.03 119.26 134.77 1njq h ALA 18 Ca -0.35 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.72 1njq h ALA 18 Cb 1.16 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1njq h ALA 18 CO 0.98 -0.94 0.46 1.96 0.00 0.00 0.00 179.25 181.71 1njq h GLN 19 N 0.26 0.73 -0.16 0.00 4.20 -1.99 -0.79 115.11 117.35 1njq h GLN 19 Ca 0.66 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.32 1njq h GLN 19 Cb 1.91 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.52 1njq h GLN 19 CO -0.30 0.48 0.00 0.00 -0.67 0.00 0.00 178.83 178.34 1njq n ALA 20 N -2.39 2.52 -0.08 3.87 0.00 -0.02 -3.32 120.51 121.09 1njq n ALA 20 Ca 0.14 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 1njq n ALA 20 Cb 0.30 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 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 0.40 1.82 0.01 0.00 0.00 -0.54 -3.85 117.00 114.84 1njq n LEU 21 Ca 0.17 0.31 -0.10 0.00 0.00 0.00 0.00 56.01 56.38 1njq n LEU 21 Cb 0.35 -0.70 -0.04 0.00 0.00 0.00 0.00 43.42 43.03 1njq n LEU 21 CO 0.13 -0.16 0.80 1.23 0.00 0.00 0.00 177.39 179.40 1njq h GLY 22 N -0.88 -0.02 1.77 -3.96 0.00 -1.33 -0.38 103.07 98.26 1njq h GLY 22 Ca -0.12 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1njq h GLY 22 CO -0.08 -0.10 0.11 -1.33 0.00 0.00 0.00 176.54 175.14 1njq h GLY 23 N -0.11 0.12 1.07 4.60 0.00 -1.78 -2.82 103.07 104.16 1njq h GLY 23 Ca 0.07 -0.04 -0.19 0.00 0.00 0.00 0.00 47.33 47.17 1njq h GLY 23 CO -0.16 0.04 -0.63 0.84 0.00 0.00 0.00 176.54 176.62 1njq h HIS 24 N 0.11 0.96 -0.38 5.60 6.17 -1.20 -2.54 115.15 123.87 1njq h HIS 24 Ca 0.07 -0.40 0.00 0.00 0.71 0.00 0.00 60.37 60.74 1njq h HIS 24 Cb 0.13 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 29.89 1njq h HIS 24 CO -0.00 1.22 0.24 1.98 0.71 0.00 0.00 177.93 182.08 1njq h MET 25 N 0.43 0.51 -0.80 5.26 4.05 -1.13 -2.90 114.93 120.35 1njq h MET 25 Ca -0.03 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.41 1njq h MET 25 Cb 1.26 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.89 1njq h MET 25 CO 0.13 0.35 0.49 -0.97 0.23 0.00 0.00 176.91 177.15 1njq h ASN 26 N 0.52 0.78 0.18 1.39 -0.73 -1.33 -0.89 115.58 115.51 1njq h ASN 26 Ca 0.14 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.30 1njq h ASN 26 Cb -0.04 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.40 1njq h ASN 26 CO -0.03 0.51 -0.10 1.62 -0.37 0.00 0.00 177.43 179.07 1njq h VAL 27 N 0.92 0.76 -0.10 2.57 3.04 -1.41 -2.29 116.25 119.73 1njq h VAL 27 Ca 0.34 -0.37 -0.06 0.00 -1.01 0.00 0.00 66.70 65.60 1njq h VAL 27 Cb 0.13 1.22 -0.03 0.00 -2.01 0.00 0.00 31.29 30.60 1njq h VAL 27 CO -0.16 0.09 0.08 1.41 -1.01 0.00 0.00 177.57 177.99 1njq n HIS 28 N -3.98 0.31 -1.15 3.17 8.25 -0.34 -2.65 115.22 118.84 1njq n HIS 28 Ca -0.02 -1.09 0.00 0.00 -0.26 0.00 0.00 57.72 56.35 1njq n HIS 28 Cb 0.18 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.76 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 1.08 0.00 -3.31 -0.41 3.00 -0.86 -5.03 116.66 111.12 1njq n ARG 29 Ca 0.06 -0.03 -0.23 0.00 -0.00 0.00 0.00 57.85 57.66 1njq n ARG 29 Cb 0.54 -0.43 -0.08 0.00 0.00 0.00 0.00 32.46 32.49 1njq n ARG 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1njq s ARG 30 N 0.00 0.83 -0.25 -0.14 3.52 -1.09 -5.10 118.95 116.72 1njq s ARG 30 Ca 0.00 -1.65 -0.32 0.00 -0.13 0.00 0.00 55.73 53.62 1njq s ARG 30 Cb 0.00 -1.10 0.17 0.00 -1.56 0.00 0.00 34.95 32.45 1njq s ARG 30 CO 0.00 -1.32 1.29 -0.51 -0.81 0.00 0.00 175.30 173.94 1njq s ASP 31 N 0.54 -0.09 -0.13 -2.12 1.01 -1.26 -5.00 116.67 109.61 1njq s ASP 31 Ca 0.28 0.06 -0.10 0.00 0.71 0.00 0.00 52.55 53.50 1njq s ASP 31 Cb -0.04 0.09 -0.06 0.00 1.01 0.00 0.00 42.92 43.92 1njq s ASP 31 CO -0.12 -0.12 -0.22 0.54 0.21 0.00 0.00 175.17 175.47 1njq n ARG 32 N 0.30 0.35 -3.92 8.23 1.74 -1.26 -5.00 116.66 117.10 1njq n ARG 32 Ca -0.00 0.15 -0.36 0.00 -0.77 0.00 0.00 57.85 56.87 1njq n ARG 32 Cb 0.58 -1.09 -0.07 0.00 -1.02 0.00 0.00 32.46 30.86 1njq n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1njq s ALA 33 N -2.41 3.70 0.05 7.54 0.00 -1.26 -5.09 121.76 124.29 1njq s ALA 33 Ca -0.21 -0.69 -0.27 0.00 0.00 0.00 0.00 51.96 50.79 1njq s ALA 33 Cb 0.06 -1.96 0.09 0.00 0.00 0.00 0.00 23.12 21.32 1njq s ALA 33 CO 0.28 0.44 0.88 -0.98 0.00 0.00 0.00 175.76 176.39 1njq s ARG 34 N -0.47 0.97 -0.04 0.00 1.04 -1.26 -5.13 118.95 114.06 1njq s ARG 34 Ca 0.11 -0.42 -0.03 0.00 -1.04 0.00 0.00 55.73 54.35 1njq s ARG 34 Cb -0.12 0.40 0.01 0.00 -2.04 0.00 0.00 34.95 33.21 1njq s ARG 34 CO 0.02 -0.43 0.06 -0.11 -0.04 0.00 0.00 175.30 174.80 1njq n LEU 35 N -0.32 -5.00 -0.03 -1.89 7.94 -1.26 -4.96 117.00 111.49 1njq n LEU 35 Ca -0.09 1.79 0.00 0.00 -1.11 0.00 0.00 56.01 56.61 1njq n LEU 35 Cb 0.62 -2.52 0.31 0.00 0.53 0.00 0.00 43.42 42.35 1njq n LEU 35 CO 0.12 -2.23 1.00 0.08 -1.11 0.00 0.00 177.39 175.24 1njq h ARG 36 N 2.82 0.58 0.00 1.96 0.11 -2.00 -3.55 114.38 114.30 1njq h ARG 36 Ca -0.14 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1njq h ARG 36 Cb 0.31 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1njq h ARG 36 CO 0.00 0.54 0.00 -0.11 0.10 0.00 0.00 179.97 180.50