#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 3.36 -1.11 -0.99 0.04 -1.26 -4.91 135.00 130.14 1njq s PRO 2 Ca 0.00 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 1njq s PRO 2 Cb 0.00 -2.28 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 1njq s PRO 2 CO 0.00 -0.94 1.98 -0.35 0.04 0.00 0.00 177.00 177.73 1njq n PRO 3 N -0.88 2.13 -3.51 0.56 -0.04 -1.26 -4.82 135.00 127.19 1njq n PRO 3 Ca 0.09 -2.39 -0.13 0.00 -0.04 0.00 0.00 63.50 61.04 1njq n PRO 3 Cb 0.47 -3.27 -0.04 0.00 -0.04 0.00 0.00 33.50 30.62 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 4.71 1.15 0.30 0.54 6.06 -1.26 -5.16 118.95 125.29 1njq s ARG 4 Ca 0.56 -0.38 -0.28 0.00 -2.50 0.00 0.00 55.73 53.13 1njq s ARG 4 Cb 0.10 0.53 -0.09 0.00 0.06 0.00 0.00 34.95 35.54 1njq s ARG 4 CO 0.06 -0.46 1.07 -1.54 -2.50 0.00 0.00 175.30 171.93 1njq s SER 5 N -2.39 7.18 0.06 -2.12 1.04 -1.26 -4.65 113.70 111.55 1njq s SER 5 Ca -0.02 2.18 0.05 0.00 0.48 0.00 0.00 55.95 58.65 1njq s SER 5 Cb -0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 1njq s SER 5 CO -0.07 -0.20 -0.08 -0.31 0.98 0.00 0.00 173.24 173.56 1njq s TYR 6 N -1.29 2.82 0.03 5.02 2.02 -0.48 -4.90 117.35 120.58 1njq s TYR 6 Ca 0.47 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 57.10 1njq s TYR 6 Cb -0.29 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1njq s TYR 6 CO 0.37 0.40 -0.09 0.99 -1.57 0.00 0.00 175.55 175.64 1njq s THR 7 N -1.12 0.71 -0.06 -0.71 2.01 -1.26 -0.16 115.64 115.06 1njq s THR 7 Ca 0.20 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 1njq s THR 7 Cb -0.11 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1njq s THR 7 CO 0.11 -0.16 0.74 0.00 -0.69 0.00 0.00 174.62 174.62 1njq n SER 9 N 3.77 0.50 -0.02 0.00 3.41 -1.26 -1.73 113.62 118.29 1njq n SER 9 Ca -0.00 -2.00 -0.06 0.00 -0.26 0.00 0.00 58.87 56.55 1njq n SER 9 Cb 0.51 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 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 -0.26 0.00 0.02 7.33 -0.00 -1.26 -4.81 117.46 118.48 1njq n PHE 10 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.48 1njq n PHE 10 Cb 0.12 -0.19 0.05 0.00 -0.00 0.00 0.00 39.48 39.47 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 0.08 -3.34 -1.05 0.00 3.00 -0.70 -4.99 118.16 111.16 1njq n LYS 12 Ca 0.05 0.61 -0.31 0.00 -0.00 0.00 0.00 58.31 58.66 1njq n LYS 12 Cb 0.26 -5.32 0.12 0.00 0.00 0.00 0.00 35.03 30.09 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 -5.64 1.70 -0.07 1.64 1.81 -1.25 -4.70 118.95 112.44 1njq s ARG 13 Ca 0.26 1.27 0.03 0.00 -1.72 0.00 0.00 55.73 55.56 1njq s ARG 13 Cb -0.13 -1.83 0.01 0.00 -0.45 0.00 0.00 34.95 32.55 1njq s ARG 13 CO 0.31 -2.06 -0.17 -1.83 -0.68 0.00 0.00 175.30 170.87 1njq s GLU 14 N -4.81 2.14 -0.30 3.54 -1.05 -1.26 -1.90 118.70 115.05 1njq s GLU 14 Ca 0.63 -0.61 -0.09 0.00 -0.15 0.00 0.00 54.97 54.76 1njq s GLU 14 Cb -0.19 -1.72 0.18 0.00 -0.44 0.00 0.00 34.13 31.96 1njq s GLU 14 CO 0.57 0.13 0.90 -0.59 0.95 0.00 0.00 175.26 177.22 1njq s PHE 15 N 0.41 -0.89 0.40 4.83 -0.12 0.77 -5.00 117.98 118.38 1njq s PHE 15 Ca -0.13 0.92 0.08 0.00 -0.05 0.00 0.00 56.93 57.74 1njq s PHE 15 Cb -0.15 0.30 0.84 0.00 -0.63 0.00 0.00 43.02 43.38 1njq s PHE 15 CO 0.05 -0.49 2.01 0.00 -0.05 0.00 0.00 175.22 176.74 1njq h ARG 16 N 7.97 0.44 -6.10 1.99 3.08 -1.83 -1.28 114.38 118.66 1njq h ARG 16 Ca -0.16 -0.05 -0.56 0.00 0.07 0.00 0.00 59.98 59.28 1njq h ARG 16 Cb 1.17 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 1njq h ARG 16 CO 0.02 0.36 0.23 -1.54 -1.07 0.00 0.00 179.97 177.97 1njq s SER 17 N -6.76 7.07 0.27 7.04 1.04 -1.26 -4.61 113.70 116.49 1njq s SER 17 Ca -0.07 1.30 -0.01 0.00 0.48 0.00 0.00 55.95 57.65 1njq s SER 17 Cb 0.17 -2.46 0.56 0.00 0.10 0.00 0.00 66.02 64.39 1njq s SER 17 CO 0.73 -0.22 1.74 0.00 0.98 0.00 0.00 173.24 176.47 1njq h ALA 18 N 6.92 1.28 -0.84 5.32 0.00 -1.99 -1.26 119.26 128.69 1njq h ALA 18 Ca -0.38 0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.81 1njq h ALA 18 Cb 1.19 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 1njq h ALA 18 CO 0.77 -0.16 0.38 1.96 0.00 0.00 0.00 179.25 182.20 1njq h GLN 19 N 0.55 0.48 0.23 0.00 7.50 -1.99 -0.42 115.11 121.46 1njq h GLN 19 Ca 0.48 -0.03 -0.33 0.00 0.50 0.00 0.00 58.65 59.27 1njq h GLN 19 Cb 0.73 -0.11 0.04 0.00 0.05 0.00 0.00 27.48 28.19 1njq h GLN 19 CO -0.40 0.32 -1.42 0.00 -1.50 0.00 0.00 178.83 175.82 1njq h ALA 20 N 1.61 -0.14 0.85 3.87 0.00 -1.69 -3.27 119.26 120.48 1njq h ALA 20 Ca 0.48 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1njq h ALA 20 Cb 0.79 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1njq h ALA 20 CO -0.43 0.67 -0.42 1.25 0.00 0.00 0.00 179.25 180.33 1njq h LEU 21 N 0.15 -0.99 -0.07 0.00 6.46 -0.76 -1.32 115.31 118.77 1njq h LEU 21 Ca -0.24 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1njq h LEU 21 Cb 2.11 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 42.27 1njq h LEU 21 CO 0.27 -0.70 -0.10 1.23 -0.62 0.00 0.00 178.44 178.52 1njq h GLY 22 N -1.15 -0.06 2.00 3.75 0.00 -1.27 -0.78 103.07 105.57 1njq h GLY 22 Ca -0.12 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1njq h GLY 22 CO 0.18 -0.11 -0.02 -1.33 0.00 0.00 0.00 176.54 175.26 1njq h GLY 23 N -0.14 0.00 1.13 4.60 0.00 -1.61 -2.91 103.07 104.14 1njq h GLY 23 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.17 1njq h GLY 23 CO -0.16 0.00 -0.81 0.84 0.00 0.00 0.00 176.54 176.42 1njq h HIS 24 N 0.00 1.01 -0.37 5.60 6.17 0.07 -2.50 115.15 125.12 1njq h HIS 24 Ca -0.00 -0.48 0.01 0.00 0.71 0.00 0.00 60.37 60.62 1njq h HIS 24 Cb 0.05 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 1njq h HIS 24 CO 0.00 1.31 0.25 1.98 0.71 0.00 0.00 177.93 182.17 1njq h MET 25 N 0.42 0.45 -0.83 5.26 4.05 -1.26 -2.94 114.93 120.07 1njq h MET 25 Ca -0.07 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1njq h MET 25 Cb 1.45 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 32.10 1njq h MET 25 CO 0.16 0.30 0.54 -0.97 0.23 0.00 0.00 176.91 177.17 1njq h ASN 26 N 0.46 0.90 0.24 1.39 -0.73 -1.40 -1.25 115.58 115.19 1njq h ASN 26 Ca 0.14 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 1njq h ASN 26 Cb 0.01 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.39 1njq h ASN 26 CO -0.03 0.63 -0.10 1.62 -0.37 0.00 0.00 177.43 179.18 1njq h VAL 27 N 1.06 0.65 -0.21 2.57 3.04 -1.43 -2.93 116.25 118.99 1njq h VAL 27 Ca 0.33 -0.41 -0.22 0.00 -1.01 0.00 0.00 66.70 65.38 1njq h VAL 27 Cb -0.02 1.25 -0.08 0.00 -2.01 0.00 0.00 31.29 30.43 1njq h VAL 27 CO -0.10 0.10 -0.16 1.41 -1.01 0.00 0.00 177.57 177.81 1njq n HIS 28 N -3.82 0.35 -2.73 3.17 8.25 -0.47 -4.32 115.22 115.66 1njq n HIS 28 Ca -0.02 -1.53 -0.02 0.00 -0.26 0.00 0.00 57.72 55.90 1njq n HIS 28 Cb 0.20 -1.37 0.02 0.00 1.12 0.00 0.00 29.99 29.96 1njq n HIS 28 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1njq s ARG 29 N 0.24 0.30 -0.03 -0.41 0.52 -1.11 -5.03 118.95 113.44 1njq s ARG 29 Ca 0.54 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 55.21 1njq s ARG 29 Cb 0.28 0.00 0.11 0.00 0.52 0.00 0.00 34.95 35.87 1njq s ARG 29 CO -0.04 -0.39 1.17 -0.98 0.02 0.00 0.00 175.30 175.08 1njq s ARG 30 N 1.31 0.55 0.01 3.54 1.70 -1.26 -5.05 118.95 119.74 1njq s ARG 30 Ca 0.21 -0.28 -0.20 0.00 -0.47 0.00 0.00 55.73 55.00 1njq s ARG 30 Cb 0.08 0.21 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 1njq s ARG 30 CO -0.11 -0.25 0.56 0.16 -1.08 0.00 0.00 175.30 174.58 1njq s ASP 31 N -2.72 6.96 -0.82 -2.89 -4.77 -1.26 -5.04 116.67 106.13 1njq s ASP 31 Ca 0.12 1.15 -0.16 0.00 -3.30 0.00 0.00 52.55 50.36 1njq s ASP 31 Cb 0.02 -2.35 0.18 0.00 -1.09 0.00 0.00 42.92 39.68 1njq s ASP 31 CO -0.03 0.16 0.84 -0.60 0.70 0.00 0.00 175.17 176.23 1njq s ARG 32 N -0.44 3.52 0.33 2.11 3.00 -1.26 -5.03 118.95 121.18 1njq s ARG 32 Ca 0.30 -2.15 -0.27 0.00 -1.00 0.00 0.00 55.73 52.61 1njq s ARG 32 Cb -0.18 -4.53 -0.09 0.00 0.00 0.00 0.00 34.95 30.14 1njq s ARG 32 CO 0.17 -1.43 1.00 0.00 0.00 0.00 0.00 175.30 175.04 1njq s ALA 33 N 1.09 3.22 0.05 6.12 0.00 -1.26 -5.09 121.76 125.88 1njq s ALA 33 Ca 0.20 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 1njq s ALA 33 Cb -0.11 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1njq s ALA 33 CO -0.07 -0.00 0.04 -0.98 0.00 0.00 0.00 175.76 174.75 1njq s ARG 34 N -1.97 0.60 -0.02 0.00 1.04 -1.26 -5.08 118.95 112.26 1njq s ARG 34 Ca 0.50 -0.98 -0.02 0.00 -1.04 0.00 0.00 55.73 54.19 1njq s ARG 34 Cb -0.23 0.22 0.01 0.00 -2.04 0.00 0.00 34.95 32.91 1njq s ARG 34 CO 0.29 -0.14 0.05 -0.11 -0.04 0.00 0.00 175.30 175.35 1njq n LEU 35 N 0.44 -6.18 -4.07 -1.89 7.94 -1.26 -4.99 117.00 106.99 1njq n LEU 35 Ca -0.17 2.53 -0.35 0.00 -1.11 0.00 0.00 56.01 56.91 1njq n LEU 35 Cb 0.60 -3.08 -0.10 0.00 0.53 0.00 0.00 43.42 41.37 1njq n LEU 35 CO 0.25 -2.92 0.04 -0.60 -1.11 0.00 0.00 177.39 173.05 1njq s ARG 36 N -0.73 2.55 0.00 1.96 6.06 -1.26 -5.34 118.95 122.19 1njq s ARG 36 Ca -0.06 -2.65 0.00 0.00 -2.50 0.00 0.00 55.73 50.53 1njq s ARG 36 Cb 0.00 -3.69 0.00 0.00 0.06 0.00 0.00 34.95 31.33 1njq s ARG 36 CO 0.15 -1.18 0.00 1.47 -2.50 0.00 0.00 175.30 173.24