#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 3.72 0.00 -0.99 0.04 -1.26 -4.93 135.00 131.58 1njq s PRO 2 Ca 0.00 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1njq s PRO 2 Cb 0.00 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1njq s PRO 2 CO 0.00 -0.63 0.40 -0.35 0.04 0.00 0.00 177.00 176.46 1njq n PRO 3 N -0.39 0.73 -2.83 0.56 -0.04 -1.26 -4.53 135.00 127.24 1njq n PRO 3 Ca 0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 1njq n PRO 3 Cb 0.46 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1njq n PRO 3 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1njq n ARG 4 N 0.07 3.74 -1.41 0.54 0.00 -1.26 -4.81 116.66 113.52 1njq n ARG 4 Ca 0.00 -4.01 0.05 0.00 -0.00 0.00 0.00 57.85 53.89 1njq n ARG 4 Cb 0.16 -2.80 -0.03 0.00 0.00 0.00 0.00 32.46 29.80 1njq n ARG 4 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1njq n SER 5 N 3.56 -7.64 -4.39 6.15 7.64 -1.26 -5.01 113.62 112.66 1njq n SER 5 Ca 0.33 1.62 -0.30 0.00 1.01 0.00 0.00 58.87 61.54 1njq n SER 5 Cb 0.38 -4.60 -0.14 0.00 -1.01 0.00 0.00 64.21 58.84 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 -5.00 2.39 0.04 1.43 2.02 -1.11 -4.85 117.35 112.27 1njq s TYR 6 Ca 0.00 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 1njq s TYR 6 Cb 0.00 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 1njq s TYR 6 CO 0.00 0.22 -0.08 0.99 -1.57 0.00 0.00 175.55 175.11 1njq s THR 7 N -0.92 0.60 -0.18 -0.71 2.01 -1.26 -0.04 115.64 115.15 1njq s THR 7 Ca 0.13 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 1njq s THR 7 Cb -0.10 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 1njq s THR 7 CO 0.04 -0.30 0.51 0.00 -0.69 0.00 0.00 174.62 174.19 1njq n SER 9 N 4.60 1.07 0.00 0.00 7.64 -1.26 -1.54 113.62 124.13 1njq n SER 9 Ca -0.05 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1njq n SER 9 Cb 0.51 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.15 0.00 -0.12 1.43 -0.00 -1.26 -4.85 117.46 112.80 1njq n PHE 10 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1njq n PHE 10 Cb 0.24 0.03 0.00 0.00 -0.00 0.00 0.00 39.48 39.75 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 -0.39 -2.83 -1.55 0.00 3.00 -0.59 -4.99 118.16 110.80 1njq n LYS 12 Ca 0.00 0.34 -0.31 0.00 -0.00 0.00 0.00 58.31 58.34 1njq n LYS 12 Cb 0.25 -4.76 0.06 0.00 0.00 0.00 0.00 35.03 30.58 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 -6.89 2.67 -0.07 1.64 1.81 -1.24 -4.76 118.95 112.11 1njq s ARG 13 Ca 0.46 0.87 0.04 0.00 -1.72 0.00 0.00 55.73 55.38 1njq s ARG 13 Cb -0.26 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.28 1njq s ARG 13 CO 0.93 -1.27 -0.18 -1.83 -0.68 0.00 0.00 175.30 172.27 1njq s GLU 14 N -5.07 2.16 -0.31 3.54 -1.05 -1.26 -2.07 118.70 114.64 1njq s GLU 14 Ca 0.59 -0.65 -0.08 0.00 -0.15 0.00 0.00 54.97 54.69 1njq s GLU 14 Cb -0.14 -1.76 0.19 0.00 -0.44 0.00 0.00 34.13 31.98 1njq s GLU 14 CO 0.55 0.17 0.97 -0.59 0.95 0.00 0.00 175.26 177.31 1njq s PHE 15 N 0.30 -0.69 0.53 4.83 -0.12 0.94 -5.00 117.98 118.76 1njq s PHE 15 Ca -0.11 0.32 0.20 0.00 -0.05 0.00 0.00 56.93 57.29 1njq s PHE 15 Cb -0.15 0.12 1.33 0.00 -0.63 0.00 0.00 43.02 43.69 1njq s PHE 15 CO 0.05 -0.42 2.08 -0.09 -0.05 0.00 0.00 175.22 176.79 1njq h ARG 16 N 6.93 0.00 -6.03 1.99 2.43 -1.89 -2.93 114.38 114.87 1njq h ARG 16 Ca -0.06 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.53 1njq h ARG 16 Cb 1.19 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 1njq h ARG 16 CO -0.05 0.00 0.69 -1.54 -1.51 0.00 0.00 179.97 177.56 1njq s SER 17 N -6.69 7.05 0.45 -3.80 1.04 -1.26 -4.60 113.70 105.89 1njq s SER 17 Ca -0.05 1.32 0.20 0.00 0.48 0.00 0.00 55.95 57.90 1njq s SER 17 Cb 0.18 -2.52 1.17 0.00 0.10 0.00 0.00 66.02 64.96 1njq s SER 17 CO 0.70 -0.60 1.89 0.00 0.98 0.00 0.00 173.24 176.20 1njq h ALA 18 N 7.45 2.31 -0.86 5.32 0.00 -1.99 -0.84 119.26 130.65 1njq h ALA 18 Ca -0.22 0.00 0.17 0.00 0.00 0.00 0.00 54.91 54.87 1njq h ALA 18 Cb 1.08 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 1njq h ALA 18 CO 0.94 -0.56 0.42 0.37 0.00 0.00 0.00 179.25 180.42 1njq h GLN 19 N 0.30 0.52 0.00 0.00 5.75 -1.96 -1.05 115.11 118.67 1njq h GLN 19 Ca 0.41 -0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.75 1njq h GLN 19 Cb 1.15 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 1njq h GLN 19 CO -0.12 0.34 -1.46 0.00 -2.65 0.00 0.00 178.83 174.95 1njq n ALA 20 N -2.45 2.08 0.26 3.38 0.00 -0.38 -3.89 120.51 119.50 1njq n ALA 20 Ca 0.19 -0.54 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 1njq n ALA 20 Cb 0.52 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 1njq n ALA 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1njq h LEU 21 N 0.00 -0.61 -0.14 0.00 6.46 -0.66 -2.66 115.31 117.70 1njq h LEU 21 Ca -0.15 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.67 1njq h LEU 21 Cb 1.48 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 41.53 1njq h LEU 21 CO 0.03 -0.21 -0.06 1.23 -0.62 0.00 0.00 178.44 178.82 1njq h GLY 22 N -1.18 0.07 1.71 3.75 0.00 -1.43 -0.53 103.07 105.46 1njq h GLY 22 Ca -0.07 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1njq h GLY 22 CO 0.12 -0.08 0.14 -1.33 0.00 0.00 0.00 176.54 175.39 1njq h GLY 23 N -0.04 0.17 1.27 4.60 0.00 -1.72 -2.85 103.07 104.51 1njq h GLY 23 Ca 0.08 -0.06 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 1njq h GLY 23 CO -0.17 0.05 -0.82 0.84 0.00 0.00 0.00 176.54 176.45 1njq h HIS 24 N 0.15 0.97 -0.37 5.60 6.17 -0.73 -2.47 115.15 124.47 1njq h HIS 24 Ca 0.09 -0.44 0.00 0.00 0.71 0.00 0.00 60.37 60.72 1njq h HIS 24 Cb 0.15 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 29.92 1njq h HIS 24 CO -0.00 1.27 0.24 1.98 0.71 0.00 0.00 177.93 182.13 1njq h MET 25 N 0.47 0.49 -0.58 5.26 4.05 -1.19 -3.00 114.93 120.42 1njq h MET 25 Ca -0.06 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1njq h MET 25 Cb 1.44 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 32.09 1njq h MET 25 CO 0.16 0.33 0.34 -0.97 0.23 0.00 0.00 176.91 177.00 1njq h ASN 26 N 0.50 0.54 0.02 1.39 -0.73 -1.38 -0.97 115.58 114.94 1njq h ASN 26 Ca 0.13 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 1njq h ASN 26 Cb -0.05 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.44 1njq h ASN 26 CO -0.03 0.37 -0.01 1.62 -0.37 0.00 0.00 177.43 179.01 1njq h VAL 27 N 0.66 0.64 -0.31 2.57 3.04 -1.48 -2.42 116.25 118.96 1njq h VAL 27 Ca 0.24 -0.03 -0.26 0.00 -1.01 0.00 0.00 66.70 65.65 1njq h VAL 27 Cb 0.07 1.02 -0.09 0.00 -2.01 0.00 0.00 31.29 30.28 1njq h VAL 27 CO -0.12 0.01 -0.09 1.41 -1.01 0.00 0.00 177.57 177.77 1njq n HIS 28 N -4.00 0.51 -1.74 3.17 8.25 -0.37 -3.14 115.22 117.90 1njq n HIS 28 Ca -0.03 -1.58 0.00 0.00 -0.26 0.00 0.00 57.72 55.85 1njq n HIS 28 Cb 0.09 -1.37 0.00 0.00 1.12 0.00 0.00 29.99 29.84 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 1.81 0.00 -2.71 -0.41 0.63 -0.91 -5.03 116.66 110.05 1njq n ARG 29 Ca 0.38 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 57.24 1njq n ARG 29 Cb 0.75 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.77 1njq n ARG 29 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1njq n ARG 30 N 0.00 1.17 0.01 -0.14 1.85 -1.19 -4.94 116.66 113.42 1njq n ARG 30 Ca 0.00 -1.85 0.00 0.00 -1.00 0.00 0.00 57.85 55.00 1njq n ARG 30 Cb 0.39 -0.21 0.00 0.00 -1.05 0.00 0.00 32.46 31.59 1njq n ARG 30 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1njq n ASP 31 N -0.44 -0.18 -1.33 2.89 2.03 -1.26 -5.04 116.55 113.22 1njq n ASP 31 Ca -0.01 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1njq n ASP 31 Cb 0.83 0.51 0.00 0.00 -0.72 0.00 0.00 41.12 41.74 1njq n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1njq n ARG 32 N -2.62 -3.67 -4.41 -0.67 1.74 -1.26 -5.10 116.66 100.67 1njq n ARG 32 Ca 0.00 2.65 -0.26 0.00 -0.77 0.00 0.00 57.85 59.48 1njq n ARG 32 Cb 0.00 -2.90 -0.12 0.00 -1.02 0.00 0.00 32.46 28.42 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 -1.58 2.44 0.70 7.54 0.00 -1.26 -5.14 121.76 124.46 1njq s ALA 33 Ca 0.00 -1.62 -0.15 0.00 0.00 0.00 0.00 51.96 50.19 1njq s ALA 33 Cb 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1njq s ALA 33 CO 0.00 0.38 1.17 0.50 0.00 0.00 0.00 175.76 177.81 1njq s ARG 34 N -2.74 2.39 0.17 0.00 3.52 -1.26 -4.80 118.95 116.23 1njq s ARG 34 Ca 0.20 1.61 0.00 0.00 -0.13 0.00 0.00 55.73 57.41 1njq s ARG 34 Cb -0.07 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.44 1njq s ARG 34 CO 0.09 -1.61 0.00 -0.11 -0.81 0.00 0.00 175.30 172.86 1njq n LEU 35 N -2.61 -4.10 -3.80 -0.88 7.94 -1.26 -5.03 117.00 107.26 1njq n LEU 35 Ca 0.12 1.56 -0.29 0.00 -1.11 0.00 0.00 56.01 56.29 1njq n LEU 35 Cb 0.51 -1.14 -0.13 0.00 0.53 0.00 0.00 43.42 43.18 1njq n LEU 35 CO 0.48 -0.39 -0.20 0.00 -1.11 0.00 0.00 177.39 176.16 1njq s ARG 36 N -2.91 1.64 0.00 1.96 3.03 -1.26 -5.10 118.95 116.30 1njq s ARG 36 Ca 0.00 -2.38 0.00 0.00 2.03 0.00 0.00 55.73 55.38 1njq s ARG 36 Cb 0.00 -2.75 0.00 0.00 -1.03 0.00 0.00 34.95 31.17 1njq s ARG 36 CO 0.00 -1.17 0.00 1.28 -1.13 0.00 0.00 175.30 174.28