#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 4.44 0.29 -2.67 0.04 -1.26 -5.06 135.00 130.78 1njq s PRO 2 Ca 0.00 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 1njq s PRO 2 Cb 0.00 -3.19 0.07 0.00 0.04 0.00 0.00 34.50 31.42 1njq s PRO 2 CO 0.00 -0.15 0.29 -0.35 0.04 0.00 0.00 177.00 176.82 1njq n PRO 3 N 2.20 -1.24 -2.81 0.56 -0.04 -1.26 -4.83 135.00 127.57 1njq n PRO 3 Ca 0.04 -0.45 -0.04 0.00 -0.04 0.00 0.00 63.50 63.01 1njq n PRO 3 Cb 0.43 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 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 -2.17 -2.94 -1.45 0.54 0.63 -1.26 -4.93 116.66 105.08 1njq n ARG 4 Ca 0.04 2.44 0.18 0.00 -0.92 0.00 0.00 57.85 59.59 1njq n ARG 4 Cb 0.14 -5.09 -0.08 0.00 0.45 0.00 0.00 32.46 27.89 1njq n ARG 4 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1njq n SER 5 N 0.43 -8.34 -4.58 6.15 7.64 -1.26 -4.98 113.62 108.69 1njq n SER 5 Ca 0.03 1.17 -0.31 0.00 1.01 0.00 0.00 58.87 60.78 1njq n SER 5 Cb 0.19 -4.79 -0.10 0.00 -1.01 0.00 0.00 64.21 58.49 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 -3.66 2.80 0.03 1.43 2.02 -0.07 -4.89 117.35 115.01 1njq s TYR 6 Ca 0.00 -0.11 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 1njq s TYR 6 Cb 0.00 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1njq s TYR 6 CO 0.00 0.39 -0.12 0.99 -1.57 0.00 0.00 175.55 175.25 1njq s THR 7 N -1.12 0.91 -0.19 -0.71 2.01 -1.25 -0.47 115.64 114.82 1njq s THR 7 Ca 0.20 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 61.06 1njq s THR 7 Cb -0.11 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1njq s THR 7 CO 0.11 -0.05 0.73 0.00 -0.69 0.00 0.00 174.62 174.72 1njq n SER 9 N 5.17 3.05 0.00 0.00 7.64 -1.26 -1.61 113.62 126.61 1njq n SER 9 Ca 0.01 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.07 1njq n SER 9 Cb 0.49 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.81 -0.07 -0.03 1.43 7.35 -1.26 -4.90 117.46 120.80 1njq n PHE 10 Ca 0.00 0.01 0.01 0.00 -0.76 0.00 0.00 57.45 56.71 1njq n PHE 10 Cb 0.43 0.34 0.03 0.00 0.35 0.00 0.00 39.48 40.62 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 -0.33 -4.19 -2.03 0.00 0.00 -0.63 -4.99 118.16 105.98 1njq n LYS 12 Ca 0.02 0.48 -0.31 0.00 0.00 0.00 0.00 58.31 58.50 1njq n LYS 12 Cb 0.28 -5.12 0.00 0.00 0.00 0.00 0.00 35.03 30.19 1njq n LYS 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1njq s ARG 13 N -6.65 3.63 -0.06 1.64 3.00 -1.24 -4.79 118.95 114.48 1njq s ARG 13 Ca 0.49 0.70 0.04 0.00 -1.00 0.00 0.00 55.73 55.96 1njq s ARG 13 Cb -0.26 -2.13 0.00 0.00 0.00 0.00 0.00 34.95 32.57 1njq s ARG 13 CO 0.87 -0.49 -0.17 -1.83 0.00 0.00 0.00 175.30 173.69 1njq s GLU 14 N -4.99 1.96 -0.30 5.12 4.04 -1.26 -1.79 118.70 121.48 1njq s GLU 14 Ca 0.54 -0.60 -0.10 0.00 0.04 0.00 0.00 54.97 54.85 1njq s GLU 14 Cb -0.11 -1.63 0.18 0.00 0.02 0.00 0.00 34.13 32.59 1njq s GLU 14 CO 0.50 0.18 0.93 -0.59 -1.84 0.00 0.00 175.26 174.45 1njq s PHE 15 N 0.25 -0.81 0.29 4.83 -0.12 0.38 -5.01 117.98 117.78 1njq s PHE 15 Ca -0.09 0.91 0.00 0.00 -0.05 0.00 0.00 56.93 57.71 1njq s PHE 15 Cb -0.14 0.30 0.43 0.00 -0.63 0.00 0.00 43.02 42.98 1njq s PHE 15 CO 0.04 -0.44 1.80 -0.09 -0.05 0.00 0.00 175.22 176.48 1njq h ARG 16 N 7.95 0.69 -6.29 1.99 2.43 -1.90 -0.15 114.38 119.10 1njq h ARG 16 Ca -0.16 -0.17 -0.55 0.00 -0.81 0.00 0.00 59.98 58.28 1njq h ARG 16 Cb 1.16 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1njq h ARG 16 CO 0.01 0.71 0.63 -1.54 -1.51 0.00 0.00 179.97 178.27 1njq s SER 17 N -6.68 7.16 0.39 -3.80 1.04 -1.26 -4.57 113.70 105.98 1njq s SER 17 Ca -0.09 1.66 0.13 0.00 0.48 0.00 0.00 55.95 58.14 1njq s SER 17 Cb 0.15 -2.56 0.96 0.00 0.10 0.00 0.00 66.02 64.67 1njq s SER 17 CO 0.79 -0.51 1.87 0.00 0.98 0.00 0.00 173.24 176.38 1njq h ALA 18 N 7.25 2.02 -0.65 5.32 0.00 -1.99 -1.27 119.26 129.94 1njq h ALA 18 Ca -0.32 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.70 1njq h ALA 18 Cb 1.15 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1njq h ALA 18 CO 0.87 -0.27 0.26 1.96 0.00 0.00 0.00 179.25 182.07 1njq h GLN 19 N 0.53 0.44 0.00 0.00 7.50 -1.99 -0.73 115.11 120.87 1njq h GLN 19 Ca 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.56 1njq h GLN 19 Cb 0.90 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.33 1njq h GLN 19 CO -0.18 0.29 -0.30 0.00 -1.50 0.00 0.00 178.83 177.15 1njq n ALA 20 N -2.46 2.92 -0.07 3.87 0.00 -0.51 -3.37 120.51 120.88 1njq n ALA 20 Ca 0.10 -0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1njq n ALA 20 Cb 0.29 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 0.00 -0.17 0.00 6.46 -0.90 -3.24 115.31 117.46 1njq h LEU 21 Ca 0.00 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1njq h LEU 21 Cb 0.56 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.45 1njq h LEU 21 CO 0.00 0.77 -0.07 1.23 -0.62 0.00 0.00 178.44 179.74 1njq h GLY 22 N -1.00 0.09 1.80 3.75 0.00 -1.32 -0.33 103.07 106.05 1njq h GLY 22 Ca -0.02 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1njq h GLY 22 CO -0.01 -0.09 0.12 -1.33 0.00 0.00 0.00 176.54 175.22 1njq h GLY 23 N -0.05 0.20 1.14 4.60 0.00 -1.78 -2.89 103.07 104.30 1njq h GLY 23 Ca 0.09 -0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.13 1njq h GLY 23 CO -0.21 0.07 -0.76 0.84 0.00 0.00 0.00 176.54 176.48 1njq h HIS 24 N 0.19 1.04 0.00 5.60 6.17 -1.10 -2.40 115.15 124.65 1njq h HIS 24 Ca 0.07 -0.46 -0.02 0.00 0.71 0.00 0.00 60.37 60.67 1njq h HIS 24 Cb 0.04 -0.16 -0.00 0.00 2.52 0.00 0.00 27.41 29.81 1njq h HIS 24 CO -0.00 1.29 -0.08 0.52 0.71 0.00 0.00 177.93 180.37 1njq h MET 25 N 0.49 0.00 -0.53 5.26 2.86 -1.20 -3.03 114.93 118.79 1njq h MET 25 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1njq h MET 25 Cb 1.39 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.03 1njq h MET 25 CO 0.16 0.08 0.30 -0.97 1.06 0.00 0.00 176.91 177.54 1njq h ASN 26 N 0.00 0.66 0.35 1.22 -0.73 -1.32 -2.69 115.58 113.07 1njq h ASN 26 Ca -0.00 -0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.07 1njq h ASN 26 Cb 0.17 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 1njq h ASN 26 CO 0.01 0.56 -0.06 1.62 -0.37 0.00 0.00 177.43 179.19 1njq h VAL 27 N 0.72 0.34 0.00 2.57 3.04 -1.45 -3.35 116.25 118.12 1njq h VAL 27 Ca 0.19 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1njq h VAL 27 Cb 0.04 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 1njq h VAL 27 CO -0.03 0.06 0.00 1.41 -1.01 0.00 0.00 177.57 178.00 1njq n HIS 28 N -3.45 0.00 0.00 3.17 8.25 -1.08 -5.08 115.22 117.03 1njq n HIS 28 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1njq n HIS 28 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 0.00 0.00 -1.43 -0.41 1.74 -1.04 -5.12 116.66 110.40 1njq n ARG 29 Ca 0.00 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.26 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 0.54 -1.52 0.00 0.00 177.63 176.65 1njq n ARG 30 N 0.00 -3.08 -2.38 5.56 3.00 -1.16 -4.30 116.66 114.30 1njq n ARG 30 Ca 0.00 2.35 -0.37 0.00 -0.01 0.00 0.00 57.85 59.82 1njq n ARG 30 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 32.46 28.75 1njq n ARG 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1njq s ASP 31 N -7.09 6.12 0.00 0.55 -1.08 -1.26 -4.51 116.67 109.40 1njq s ASP 31 Ca 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 52.55 50.13 1njq s ASP 31 Cb 0.00 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1njq s ASP 31 CO 0.00 -1.91 0.00 -1.14 0.52 0.00 0.00 175.17 172.64 1njq n ARG 32 N 8.49 0.00 -3.56 4.34 0.63 -1.26 -4.72 116.66 120.57 1njq n ARG 32 Ca 0.44 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 57.20 1njq n ARG 32 Cb 0.47 -0.55 -0.06 0.00 0.45 0.00 0.00 32.46 32.77 1njq n ARG 32 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1njq s ALA 33 N 0.00 -1.67 -1.15 5.13 0.00 -1.26 -5.10 121.76 117.71 1njq s ALA 33 Ca 0.00 1.32 -0.20 0.00 0.00 0.00 0.00 51.96 53.08 1njq s ALA 33 Cb 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.03 1njq s ALA 33 CO 0.00 -0.35 1.56 0.50 0.00 0.00 0.00 175.76 177.47 1njq s ARG 34 N -0.97 3.80 0.00 0.00 3.52 -1.26 -4.73 118.95 119.32 1njq s ARG 34 Ca -0.10 -1.64 0.00 0.00 -0.13 0.00 0.00 55.73 53.86 1njq s ARG 34 Cb -0.01 -5.40 0.00 0.00 -1.56 0.00 0.00 34.95 27.98 1njq s ARG 34 CO 0.08 -2.18 0.00 1.28 -0.81 0.00 0.00 175.30 173.67 1njq n LEU 35 N 8.35 0.00 -1.42 -0.88 4.32 -1.26 -4.91 117.00 121.20 1njq n LEU 35 Ca 0.40 0.00 0.17 0.00 -0.02 0.00 0.00 56.01 56.56 1njq n LEU 35 Cb 0.48 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.19 1njq n LEU 35 CO 0.70 0.00 -0.61 0.54 -1.22 0.00 0.00 177.39 176.80 1njq n ARG 36 N 0.00 -3.20 0.00 3.23 1.74 -1.26 -5.20 116.66 111.97 1njq n ARG 36 Ca 0.00 2.62 0.13 0.00 -0.77 0.00 0.00 57.85 59.83 1njq n ARG 36 Cb 0.00 -3.78 0.79 0.00 -1.02 0.00 0.00 32.46 28.45 1njq n ARG 36 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00