#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 3.99 0.00 -0.99 0.04 -1.26 -4.90 135.00 131.87 1njq s PRO 2 Ca 0.00 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1njq s PRO 2 Cb 0.00 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1njq s PRO 2 CO 0.00 -0.48 1.27 -0.35 0.04 0.00 0.00 177.00 177.48 1njq n PRO 3 N 0.16 0.68 -3.15 0.56 -0.04 -1.26 -4.43 135.00 127.52 1njq n PRO 3 Ca 0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 1njq n PRO 3 Cb 0.43 -1.16 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.61 0.28 0.49 0.54 3.52 -1.26 -5.14 118.95 117.99 1njq s ARG 4 Ca 0.00 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 1njq s ARG 4 Cb 0.00 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 1njq s ARG 4 CO 0.00 -0.38 0.00 -1.13 -0.81 0.00 0.00 175.30 172.98 1njq n SER 5 N 5.37 -6.51 -4.61 -2.12 3.41 -1.26 -5.02 113.62 102.87 1njq n SER 5 Ca -0.01 1.32 -0.28 0.00 -0.26 0.00 0.00 58.87 59.64 1njq n SER 5 Cb 0.54 -3.96 -0.09 0.00 -0.26 0.00 0.00 64.21 60.44 1njq n SER 5 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1njq s TYR 6 N -4.51 2.78 0.07 7.33 2.02 -0.41 -4.60 117.35 120.03 1njq s TYR 6 Ca 0.00 -0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.59 1njq s TYR 6 Cb 0.00 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1njq s TYR 6 CO 0.00 0.47 -0.10 0.99 -1.57 0.00 0.00 175.55 175.34 1njq s THR 7 N -1.45 0.84 -0.11 -0.71 2.01 -1.26 -0.13 115.64 114.83 1njq s THR 7 Ca 0.24 -1.35 -0.19 0.00 0.31 0.00 0.00 61.69 60.70 1njq s THR 7 Cb -0.10 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1njq s THR 7 CO 0.16 -0.41 0.50 0.00 -0.69 0.00 0.00 174.62 174.18 1njq n SER 9 N 3.64 2.47 0.00 0.00 3.41 -1.26 -1.54 113.62 120.33 1njq n SER 9 Ca -0.06 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1njq n SER 9 Cb 0.52 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.14 0.00 0.00 7.33 7.35 -1.26 -4.85 117.46 126.16 1njq n PHE 10 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1njq n PHE 10 Cb 0.57 0.08 0.01 0.00 0.35 0.00 0.00 39.48 40.49 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 -0.30 -3.42 -1.63 0.00 3.00 -0.59 -4.99 118.16 110.23 1njq n LYS 12 Ca 0.01 0.46 -0.31 0.00 -0.00 0.00 0.00 58.31 58.46 1njq n LYS 12 Cb 0.18 -5.17 0.04 0.00 0.00 0.00 0.00 35.03 30.08 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 -6.16 2.99 -0.05 1.64 3.52 -1.25 -4.71 118.95 114.93 1njq s ARG 13 Ca 0.46 0.98 0.06 0.00 -0.13 0.00 0.00 55.73 57.10 1njq s ARG 13 Cb -0.24 -2.00 -0.01 0.00 -1.56 0.00 0.00 34.95 31.14 1njq s ARG 13 CO 0.56 -1.06 -0.23 -1.83 -0.81 0.00 0.00 175.30 171.94 1njq s GLU 14 N -4.93 2.33 -0.30 5.12 4.04 -1.26 -1.22 118.70 122.48 1njq s GLU 14 Ca 0.59 -0.82 -0.11 0.00 0.04 0.00 0.00 54.97 54.66 1njq s GLU 14 Cb -0.14 -1.98 0.18 0.00 0.02 0.00 0.00 34.13 32.20 1njq s GLU 14 CO 0.53 0.34 0.98 -0.59 -1.84 0.00 0.00 175.26 174.68 1njq s PHE 15 N -0.10 -0.69 0.39 4.83 -0.12 0.81 -5.00 117.98 118.10 1njq s PHE 15 Ca -0.04 0.73 0.12 0.00 -0.05 0.00 0.00 56.93 57.70 1njq s PHE 15 Cb -0.13 0.24 0.79 0.00 -0.63 0.00 0.00 43.02 43.29 1njq s PHE 15 CO 0.03 -0.38 1.88 0.07 -0.05 0.00 0.00 175.22 176.77 1njq h ARG 16 N 7.99 0.06 -6.19 1.99 0.11 -1.90 -1.07 114.38 115.37 1njq h ARG 16 Ca -0.15 -0.02 -0.58 0.00 0.10 0.00 0.00 59.98 59.34 1njq h ARG 16 Cb 1.17 -0.01 -0.06 0.00 1.11 0.00 0.00 29.97 32.19 1njq h ARG 16 CO -0.04 0.34 0.84 -1.54 0.10 0.00 0.00 179.97 179.66 1njq s SER 17 N -6.94 7.00 0.46 0.08 1.04 -1.26 -4.62 113.70 109.45 1njq s SER 17 Ca -0.04 1.27 0.21 0.00 0.48 0.00 0.00 55.95 57.87 1njq s SER 17 Cb 0.15 -2.54 1.20 0.00 0.10 0.00 0.00 66.02 64.93 1njq s SER 17 CO 0.72 -0.78 1.87 0.00 0.98 0.00 0.00 173.24 176.03 1njq h ALA 18 N 7.86 2.38 -0.55 5.32 0.00 -1.99 -1.23 119.26 131.05 1njq h ALA 18 Ca -0.21 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1njq h ALA 18 Cb 1.07 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1njq h ALA 18 CO 1.00 -0.65 0.05 0.37 0.00 0.00 0.00 179.25 180.02 1njq h GLN 19 N 0.28 0.16 0.02 0.00 5.75 -1.98 0.08 115.11 119.41 1njq h GLN 19 Ca 0.44 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.77 1njq h GLN 19 Cb 1.29 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 29.82 1njq h GLN 19 CO -0.12 0.11 -0.67 0.00 -2.65 0.00 0.00 178.83 175.50 1njq h ALA 20 N 1.47 0.06 0.42 3.38 0.00 -1.67 -3.28 119.26 119.64 1njq h ALA 20 Ca 0.28 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1njq h ALA 20 Cb 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1njq h ALA 20 CO -0.43 0.38 -0.43 1.25 0.00 0.00 0.00 179.25 180.03 1njq h LEU 21 N -0.09 -1.17 0.15 0.00 6.46 -0.87 -0.29 115.31 119.50 1njq h LEU 21 Ca -0.09 0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1njq h LEU 21 Cb 1.38 0.39 -0.02 0.00 -0.73 0.00 0.00 40.66 41.68 1njq h LEU 21 CO 0.13 -0.58 -0.22 1.23 -0.62 0.00 0.00 178.44 178.39 1njq h GLY 22 N -0.86 -0.42 1.82 3.75 0.00 -1.15 -0.95 103.07 105.26 1njq h GLY 22 Ca -0.04 0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1njq h GLY 22 CO -0.07 -0.20 0.06 -1.33 0.00 0.00 0.00 176.54 175.00 1njq h GLY 23 N -0.43 0.00 1.15 4.60 0.00 -1.61 -2.65 103.07 104.14 1njq h GLY 23 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.14 1njq h GLY 23 CO -0.10 0.00 -0.69 0.84 0.00 0.00 0.00 176.54 176.60 1njq h HIS 24 N 0.00 1.08 0.00 5.60 6.17 0.35 -2.57 115.15 125.77 1njq h HIS 24 Ca 0.04 -0.44 -0.04 0.00 0.71 0.00 0.00 60.37 60.64 1njq h HIS 24 Cb 0.17 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 29.91 1njq h HIS 24 CO 0.00 1.28 -0.19 1.98 0.71 0.00 0.00 177.93 181.71 1njq h MET 25 N 0.57 0.00 -0.92 5.26 -1.53 -1.09 -2.83 114.93 114.39 1njq h MET 25 Ca -0.03 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.25 1njq h MET 25 Cb 1.31 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 32.31 1njq h MET 25 CO 0.15 0.19 0.60 -0.97 0.14 0.00 0.00 176.91 177.02 1njq h ASN 26 N 0.00 1.04 0.57 1.39 -1.24 -1.41 0.87 115.58 116.79 1njq h ASN 26 Ca -0.00 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1njq h ASN 26 Cb 0.36 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1njq h ASN 26 CO 0.02 0.74 0.00 1.62 -1.29 0.00 0.00 177.43 178.53 1njq h VAL 27 N 1.22 0.00 0.00 2.57 3.04 -1.41 -3.22 116.25 118.45 1njq h VAL 27 Ca 0.34 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 1njq h VAL 27 Cb -0.11 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1njq h VAL 27 CO -0.08 0.00 -0.27 1.41 -1.01 0.00 0.00 177.57 177.62 1njq n HIS 28 N -2.49 0.42 -3.28 3.17 8.25 -0.68 -5.08 115.22 115.53 1njq n HIS 28 Ca 0.01 0.18 -0.19 0.00 -0.26 0.00 0.00 57.72 57.46 1njq n HIS 28 Cb 0.19 -0.48 0.02 0.00 1.12 0.00 0.00 29.99 30.83 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 -3.42 -1.45 -2.18 -0.41 3.00 0.21 -4.78 116.66 107.65 1njq n ARG 29 Ca -0.04 1.33 -0.31 0.00 -0.00 0.00 0.00 57.85 58.83 1njq n ARG 29 Cb 0.14 -2.16 -0.05 0.00 0.00 0.00 0.00 32.46 30.39 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 -1.86 2.82 0.00 -0.14 3.52 -1.26 -4.02 118.95 118.00 1njq s ARG 30 Ca 0.20 -0.93 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1njq s ARG 30 Cb -0.02 -5.22 0.00 0.00 -1.56 0.00 0.00 34.95 28.14 1njq s ARG 30 CO 0.53 -3.35 0.00 -3.47 -0.81 0.00 0.00 175.30 168.20 1njq n ASP 31 N 12.91 0.00 -3.72 -2.12 -0.08 -1.26 -5.18 116.55 117.10 1njq n ASP 31 Ca 0.42 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.67 1njq n ASP 31 Cb 0.47 0.31 -0.01 0.00 2.34 0.00 0.00 41.12 44.23 1njq n ASP 31 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1njq s ARG 32 N -0.77 1.07 0.10 -0.67 3.00 -1.26 -5.14 118.95 115.28 1njq s ARG 32 Ca 0.00 -0.58 -0.32 0.00 -1.00 0.00 0.00 55.73 53.83 1njq s ARG 32 Cb 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 34.95 35.21 1njq s ARG 32 CO 0.00 -0.49 1.78 0.00 0.00 0.00 0.00 175.30 176.59 1njq n ALA 33 N -0.45 1.77 -1.46 6.12 0.00 -1.26 -4.93 120.51 120.30 1njq n ALA 33 Ca -0.07 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 1njq n ALA 33 Cb 0.61 -2.51 0.15 0.00 0.00 0.00 0.00 19.45 17.70 1njq n ALA 33 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1njq n ARG 34 N 5.18 2.31 0.00 0.00 -4.01 -1.26 -5.08 116.66 113.81 1njq n ARG 34 Ca 0.19 -3.30 0.00 0.00 -1.04 0.00 0.00 57.85 53.69 1njq n ARG 34 Cb 0.34 -2.05 0.00 0.00 -3.04 0.00 0.00 32.46 27.71 1njq n ARG 34 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1njq n LEU 35 N -1.04 0.00 -4.74 2.89 4.77 -1.26 -4.66 117.00 112.96 1njq n LEU 35 Ca 0.46 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 56.03 1njq n LEU 35 Cb 1.11 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.16 1njq n LEU 35 CO 0.42 -0.52 0.81 -0.60 -1.33 0.00 0.00 177.39 176.17 1njq s ARG 36 N 0.00 4.58 0.00 3.23 3.52 -1.26 -5.20 118.95 123.82 1njq s ARG 36 Ca 0.00 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.37 1njq s ARG 36 Cb 0.00 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1njq s ARG 36 CO 0.00 0.07 0.00 1.47 -0.81 0.00 0.00 175.30 176.03